0 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,0,0,0,0,0|1,0,3]=4 12 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,0,0,0,0,0|1,0,3]=4 45 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,0,0,0,0,0|1,0,3]=4 54 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,0,0,0,0,0|1,0,3]=4 62 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,0,0,0,0,0|1,0,3]=4 63 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,0,0,0,0|2,0,1]=3 64 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,0,0,0,0,0|2,0,0]=2 75 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,0,0,0,0,0|2,0,0]=2 76 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,0,0,0,0,0|2,0,0]=2 77 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,0,0,0,0,0|2,0,0]=2 78 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,0,0,0,0,0|2,0,0]=2 79 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,0,0,0,0,0|2,0,0]=2 80 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,0,0,0,0,0|2,0,0]=2 81 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,0,0,0,0,0|2,0,0]=2 82 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,0,0,0,0,0|2,0,0]=2 83 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,0,0,0,0,0|2,0,2]=4 84 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,0,0,0,0,0|2,0,2]=4 85 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,0,0,0,0|2,0,2]=4 87 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [0,0,0,0,0,0|2,0,2]=4 89 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [0,0,0,0,0,0|2,0,2]=4 90 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [0,0,0,0,0,0|2,0,2]=4 91 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,0,0,0,0,0|2,0,2]=4 92 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,0,0,0,0,0|2,0,2]=4 93 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,0,0,0,0,0|2,0,2]=4 94 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [0,0,0,0,0,0|2,0,2]=4 95 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [0,0,0,0,0,0|2,0,2]=4 96 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [0,0,0,0,0,0|2,0,2]=4 97 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [0,0,0,0,0,0|2,0,2]=4 98 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,0,0,0,0|2,0,2]=4 100 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,0,0,0,0|2,0,2]=4 101 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,0,0,0,0|2,0,2]=4 102 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,0,0,0,0|2,0,2]=4 103 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,0,0,0,0|2,0,2]=4 104 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,0,0,0,0|2,0,2]=4 105 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,0,0,0,0|2,0,2]=4 106 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,0,0,0,0|2,0,2]=4 107 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,0,0,0,0|2,0,2]=4 108 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,0,0,0,0|2,0,2]=4 109 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,0,0,0,0|2,0,2]=4 110 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,0,0,0,0|2,0,2]=4 111 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,0,0,0,0|2,0,2]=4 112 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,0,0,0,0|2,0,2]=4 113 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,0,0,0,0|2,0,2]=4 114 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,0,0,0,0|2,0,2]=4 115 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,0,0,0,0|2,0,2]=4 116 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,0,0,0,0|2,0,2]=4 117 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,0,0,0,0|2,0,2]=4 118 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,0,0,0,0|2,0,2]=4 119 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,0,0,0,0|2,0,2]=4 120 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,0,0,0,0|2,0,2]=4 121 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,0,0,0,0|2,0,2]=4 122 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,0,0,0,0|1,0,3]=4 123 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,0,0,0,0|1,0,3]=4 124 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,0,0,0,0|1,0,1]=2 125 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,0,0,0,0|2,0,2]=4 126 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,0,0,0,0|2,0,2]=4 127 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,0,0,0,0|2,0,2]=4 128 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,0,0,0,0|2,0,2]=4 129 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,0,0,0,0|1,0,3]=4 130 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,0,0,0,0|3,0,1]=4 131 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,0,0,0,0|2,0,2]=4 132 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,0,0,0,0|2,0,2]=4 133 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,0,0,0,0|1,0,1]=2 134 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,0,0,0,0|1,0,1]=2 135 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,0,0,0,0|2,0,2]=4 136 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,0,0,0,0|2,0,2]=4 137 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,0,0,0,0|2,0,2]=4 138 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,0,0,0,0|1,0,3]=4 139 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,0,0,0,0|1,0,3]=4 140 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,0,0,0,0|3,0,1]=4 141 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,0,0,0,0|3,0,1]=4 142 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,0,0,0,0|3,0,1]=4 143 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,0,0,0,0|3,0,1]=4 144 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,0,0,0,0,0|2,0,2]=4 145 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,0,0,0,0|2,0,2]=4 146 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,0,0,0,0|2,0,2]=4 147 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,0,0,0,0|2,0,2]=4 148 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,0,0,0,0|1,0,3]=4 149 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,0,0,0,0,0|3,0,1]=4 150 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,0,0,0,0,0|3,0,1]=4 151 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,0,0,0,0,0|3,0,1]=4 152 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,0,0,0,0,0|3,0,1]=4 153 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,0,0,0,0|2,0,2]=4 154 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,0,0,0,0|2,0,2]=4 155 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,0,0,0,0|2,0,2]=4 156 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,0,0,0,0|2,0,2]=4 157 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,0,0,0,0|2,0,2]=4 158 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,0,0,0,0|1,0,3]=4 159 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,0,0,0,0,0|3,0,1]=4 160 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,0,0,0,0,0|3,0,1]=4 161 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,0,0,0,0,0|3,0,1]=4 162 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,0,0,0,0,0|3,0,1]=4 163 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,0,0,0,0,0|3,0,1]=4 165 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,0,0,0,0,0|3,0,1]=4 166 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,0,0,0,0,0|3,0,1]=4 167 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,0,0,0,0,0|3,0,1]=4 168 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,0,0,0,0,0|3,0,1]=4 169 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,0,0,0,0,0|3,0,1]=4 170 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,0,0,0,0,0|3,0,1]=4 171 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,0,0,0,0,0|3,0,1]=4 172 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,0,0,0,0,0|3,0,1]=4 173 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,0,0,0,0,0|3,0,1]=4 174 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,0,0,0,0,0|3,0,1]=4 175 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,0,0,0,0,0|3,0,1]=4 176 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,0,0,0,0,0|3,0,1]=4 177 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,0,0,0,0,0|3,0,1]=4 178 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,0,0,0,0,0|3,0,1]=4 179 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,0,0,0,0,0|3,0,1]=4 180 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,0,0,0,0,0|3,0,1]=4 181 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,0,0,0,0,0|2,0,2]=4 182 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,0,0,0,0,0|2,0,2]=4 183 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,0,0,0,0|2,0,2]=4 184 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,0,0,0,0|2,0,2]=4 185 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,0,0,0,0|1,0,3]=4 186 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,0,0,0,0|1,0,3]=4 187 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,0,0,0,0,0|3,0,1]=4 188 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,0,0,0,0,0|3,0,1]=4 189 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,0,0,0,0,0|3,0,1]=4 190 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,0,0,0,0,0|3,0,1]=4 191 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,0,0,0,0,0|3,0,1]=4 192 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,0,0,0,0,0|3,0,1]=4 193 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,0,0,0,0,0|3,0,1]=4 194 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,0,0,0,0,0|3,0,1]=4 195 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,0,0,0,0,0|3,0,1]=4 196 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,0,0,0,0,0|3,0,1]=4 197 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,0,0,0,0,0|3,0,1]=4 198 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,0,0,0,0,0|3,0,1]=4 199 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,0,0,0,0,0|3,0,1]=4 200 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,0,0,0,0,0|3,0,1]=4 201 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,0,0,0,0,0|3,0,1]=4 202 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,0,0,0,0,0|3,0,1]=4 203 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,0,0,0,0,0|3,0,1]=4 204 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,0,0,0,0,0|3,0,1]=4 205 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,0,0,0,0|1,0,2]=3 206 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,0,0,0,0|1,0,2]=3 207 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,0,0,0,0,0|2,0,1]=3 208 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,0,0,0,0,0|2,0,1]=3 209 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,0,0,0,0|1,0,2]=3 210 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,0,0,0,0|1,0,2]=3 211 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,0,0,0,0,0|2,0,1]=3 212 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,0,0,0,0,0|2,0,1]=3 213 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,0,0,0,0,0|2,0,2]=4 214 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,0,0,0,0,0|2,0,2]=4 215 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,0,0,0,0|2,0,1]=3 216 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,0,0,0,0,0|2,0,1]=3 217 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,0,0,0,0|2,0,1]=3 218 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,0,0,0,0|2,0,1]=3 219 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,0,0,0,0,0|2,0,1]=3 220 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,0,0,0,0,0|2,0,2]=4 221 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,0,0,0,0,0|2,0,1]=3 222 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,0,0,0,0,0|2,0,1]=3 223 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,0,0,0,0|2,0,1]=3 224 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,0,0,0,0|2,0,1]=3 225 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,0,0,0,0|1,0,2]=3 226 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,0,0,0,0|1,0,2]=3 227 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|2,0,1]=4 228 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|2,0,1]=4 229 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|2,0,1]=4 230 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|2,0,1]=4 231 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,0,0,0,0,0|2,0,1]=4 232 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,0]=3 233 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,0]=3 234 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|2,0,0]=3 235 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|2,0,0]=3 236 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|2,0,0]=3 237 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|2,0,0]=3 238 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|2,0,0]=3 239 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|2,0,0]=3 240 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|2,0,0]=3 241 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|2,0,1]=4 243 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|2,0,1]=4 244 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|2,0,1]=4 245 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|2,0,1]=4 246 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|2,0,1]=4 247 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|2,0,1]=4 248 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|2,0,1]=4 249 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|2,0,1]=4 250 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|2,0,1]=4 251 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|2,0,1]=4 252 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|2,0,1]=4 253 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|2,0,0]=3 254 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|2,0,0]=3 255 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|2,0,0]=3 256 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|2,0,0]=3 257 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|2,0,0]=3 259 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|2,0,0]=3 260 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,0,0,0,0,0|3,0,0]=4 261 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,0,0,0,0,0|3,0,0]=4 262 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,0]=3 263 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,0]=3 264 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,0]=3 265 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|2,0,0]=3 266 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|2,0,0]=3 267 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|2,0,0]=3 268 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|2,0,0]=3 269 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|2,0,0]=3 270 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|3,0,0]=4 271 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|2,0,1]=4 272 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|2,0,1]=4 273 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|2,0,1]=4 274 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|2,0,1]=4 275 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|2,0,1]=4 276 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|2,0,1]=4 277 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|2,0,1]=4 278 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|2,0,1]=4 280 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|2,0,1]=4 281 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|2,0,1]=4 283 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|2,0,1]=4 285 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|1,0,2]=4 288 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|1,0,2]=4 289 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|1,0,2]=4 290 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|2,0,1]=4 291 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|1,0,2]=4 292 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|1,0,2]=4 293 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|2,0,1]=4 294 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|2,0,1]=4 295 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|2,0,1]=4 296 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|1,0,0]=2 297 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|2,0,1]=4 298 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|2,0,1]=4 299 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|1,0,2]=4 300 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|1,0,2]=4 301 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|1,0,2]=4 302 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|3,0,0]=4 303 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|3,0,0]=4 304 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,0]=2 305 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|2,0,1]=4 307 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|1,0,2]=4 309 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|3,0,0]=4 310 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|3,0,0]=4 311 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|3,0,0]=4 312 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|3,0,0]=4 313 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|3,0,0]=4 314 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,0,0,0,0,0|2,0,1]=4 315 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,0,0]=2 317 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,0,0]=2 318 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|1,0,2]=4 321 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|1,0,2]=4 322 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|3,0,0]=4 323 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|3,0,0]=4 324 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|3,0,0]=4 325 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|3,0,0]=4 326 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|2,0,0]=3 327 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|2,0,0]=3 328 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [0,1,0,0,0,0|1,0,2]=4 329 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [0,1,0,0,0,0|1,0,2]=4 330 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [0,1,0,0,0,0|1,0,2]=4 331 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [0,1,0,0,0,0|1,0,2]=4 332 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,1,0,0,0,0|1,0,1]=3 333 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,1,0,0,0,0|1,0,1]=3 334 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [0,1,0,0,0,0|0,0,2]=3 336 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,1,0,0,0,0|0,0,2]=3 339 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,1,0,0,0,0|0,0,2]=3 340 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,1,0,0,0,0|1,0,2]=4 343 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,1,0,0,0,0|1,0,2]=4 344 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,1,0,0,0,0|1,0,2]=4 345 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,1,0,0,0,0|1,0,2]=4 346 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,1,0,0,0,0|1,0,2]=4 347 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,1,0,0,0,0|1,0,2]=4 348 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,1,0,0,0,0|1,0,2]=4 349 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,0,0,0,0|1,0,2]=4 350 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,0,0,0,0|1,0,2]=4 351 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,0,0,0,0|1,0,2]=4 352 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,0,0,0,0|1,0,2]=4 353 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,0,0,0,0|1,0,2]=4 354 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,1,0,0,0,0|1,0,2]=4 356 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,1,0,0,0,0|1,0,2]=4 357 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,1,0,0,0,0|1,0,2]=4 358 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,1,0,0,0,0|1,0,2]=4 359 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,1,0,0,0,0|1,0,2]=4 360 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,1,0,0,0,0|1,0,2]=4 361 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,1,0,0,0,0|1,0,2]=4 362 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,1,0,0,0,0|1,0,2]=4 363 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,1,0,0,0,0|1,0,2]=4 364 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,1,0,0,0,0|1,0,2]=4 365 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,1,0,0,0,0|1,0,2]=4 366 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,1,0,0,0,0|1,0,2]=4 367 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,0,0,0,0|1,0,2]=4 368 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,1,0,0,0,0|2,0,1]=4 374 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,1,0,0,0,0|1,0,2]=4 376 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,0,0,0,0|1,0,2]=4 378 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,0,0,0,0|1,0,2]=4 379 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,0,0,0,0|2,0,1]=4 381 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [0,1,0,0,0,0|1,0,2]=4 384 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [0,1,0,0,0,0|1,0,2]=4 385 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,0,0,0,0|1,0,2]=4 386 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,0,0,0,0|1,0,2]=4 387 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [0,1,0,0,0,0|1,0,2]=4 396 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,0,0,0,0|1,0,2]=4 397 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,0,0,0,0|1,0,2]=4 398 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,0,0,0,0|1,0,2]=4 399 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,1,0,0,0,0|2,0,1]=4 401 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,1,0,0,0,0|2,0,1]=4 402 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,1,0,0,0,0|2,0,1]=4 403 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,1,0,0,0,0|2,0,1]=4 404 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,1,0,0,0,0|2,0,1]=4 405 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,1,0,0,0,0|1,0,2]=4 408 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,1,0,0,0,0|1,0,2]=4 409 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,1,0,0,0,0|1,0,2]=4 410 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,1,0,0,0,0|2,0,1]=4 411 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,0,0,0,0|1,0,2]=4 412 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,0,0,0,0|1,0,2]=4 413 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,0,0,0,0|1,0,2]=4 414 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,1,0,0,0,0|2,0,1]=4 415 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,1,0,0,0,0|2,0,1]=4 423 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,1,0,0,0,0|2,0,1]=4 426 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [0,1,0,0,0,0|1,0,2]=4 429 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [0,1,0,0,0,0|1,0,2]=4 430 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [0,1,0,0,0,0|1,0,2]=4 431 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [0,1,0,0,0,0|1,0,2]=4 432 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,1,0,0,0,0|1,0,2]=4 433 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,1,0,0,0,0|1,0,2]=4 434 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,1,0,0,0,0|2,0,1]=4 442 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,1,0,0,0,0|2,0,1]=4 446 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,1,0,0,0,0|2,0,1]=4 448 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,1,0,0,0,0|2,0,1]=4 449 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [0,1,0,0,0,0|0,0,3]=4 450 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [0,1,0,0,0,0|0,0,3]=4 451 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [0,1,0,0,0,0|0,0,3]=4 452 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [0,1,0,0,0,0|0,0,3]=4 453 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [0,1,0,0,0,0|0,0,3]=4 454 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,1,0,0,0,0|1,0,1]=3 455 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,1,0,0,0,0|1,0,1]=3 456 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,1,0,0,0,0|1,0,1]=3 457 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,1,0,0,0,0|0,0,2]=3 458 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,1,0,0,0,0|0,0,2]=3 459 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,1,0,0,0,0|0,0,2]=3 460 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,1,0,0,0,0|0,0,2]=3 461 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,1,0,0,0,0|0,0,2]=3 462 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,1,0,0,0,0|0,1,1]=3 463 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,1,0,0,0,0|0,1,1]=3 464 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,1,0,0,0,0|0,1,1]=3 465 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,1,0,0,0,0|0,1,1]=3 466 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [0,1,0,0,0,0|1,0,1]=3 467 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,1,0,0,0,0|1,0,1]=3 468 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,1,0,0,0,0|1,0,1]=3 469 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [0,1,0,0,0,0|1,0,1]=3 470 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [0,1,0,0,0,0|1,0,1]=3 471 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [0,1,0,0,0,0|1,0,1]=3 472 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [0,1,0,0,0,0|1,0,1]=3 473 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [0,1,0,0,0,0|1,0,1]=3 474 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [0,1,0,0,0,0|1,0,2]=4 475 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [0,1,0,0,0,0|1,0,2]=4 476 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,1,0,0,0,0|2,0,1]=4 477 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,1,0,0,0,0|0,0,2]=3 478 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,1,0,0,0,0|0,0,2]=3 479 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,1,0,0,0,0|2,0,1]=4 480 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,1,0,0,0,0|1,0,1]=3 482 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,1,0,0,0,0|1,0,1]=3 483 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,1,0,0,0,0|1,0,1]=3 484 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,1,0,0,0,0|1,0,1]=3 485 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,1,0,0,0,0|2,0,1]=4 486 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,1,0,0,0,0|1,0,2]=4 487 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,0,0,0,0|0,0,2]=3 489 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,0,0,0,0|0,0,2]=3 490 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,0,0,0,0|0,0,2]=3 491 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,0,0,0,0|0,0,2]=3 492 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,1,0,0,0,0|0,0,2]=3 493 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,1,0,0,0,0|0,0,2]=3 494 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,1,0,0,0,0|0,0,2]=3 495 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,1,0,0,0,0|1,0,1]=3 496 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,1,0,0,0,0|1,0,1]=3 497 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,1,0,0,0,0|0,0,2]=3 498 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,1,0,0,0,0|0,0,2]=3 499 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,0,0,0,0|0,0,2]=3 500 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,0,0,0,0|0,0,2]=3 501 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,1,0,0,0,0|1,0,1]=3 502 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,1,0,0,0,0|1,0,1]=3 503 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,1,0,0,0,0|1,0,1]=3 504 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,1,0,0,0,0|1,0,1]=3 505 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,1,0,0,0,0|0,0,2]=3 506 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,1,0,0,0,0|0,0,2]=3 507 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,1,0,0,0,0|1,0,1]=3 508 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,1,0,0,0,0|1,0,1]=3 509 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,1,0,0,0,0|1,0,1]=3 510 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,1,0,0,0,0|1,0,1]=3 511 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,1,0,0,0,0|1,0,1]=3 512 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [0,1,0,0,0,0|1,0,2]=4 513 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [0,1,0,0,0,0|1,0,2]=4 514 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,1,0,0,0,0|1,0,1]=3 515 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,1,0,0,0,0|1,0,2]=4 517 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,1,0,0,0,0|1,0,2]=4 518 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,1,0,0,0,0|1,0,1]=3 519 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,1,0,0,0,0|1,0,1]=3 520 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,1,0,0,0,0|1,0,1]=3 521 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,1,0,0,0,0|1,0,1]=3 522 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,1,0,0,0,0|1,0,1]=3 523 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,1,0,0,0,0|1,0,1]=3 524 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,1,0,0,0,0|1,0,1]=3 525 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,1,0,0,0,0|1,0,1]=3 526 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,1,0,0,0,0|1,0,1]=3 527 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,1,0,0,0,0|0,0,2]=3 528 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,1,0,0,0,0|0,0,2]=3 529 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,0,0,0,0|1,0,2]=4 530 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,0,0,0,0|1,0,2]=4 531 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,1,0,0,0,0|2,0,1]=4 532 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,1,0,0,0,0|2,0,1]=4 533 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,1,0,0,0,0|2,0,1]=4 534 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,1,0,0,0,0|2,0,1]=4 535 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,0,0,0,0|1,0,2]=4 536 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,0,0,0,0|2,0,1]=4 537 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,0,0,0,0|2,0,1]=4 538 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,0,0,0,0|2,0,1]=4 539 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,1,0,0,0,0|2,0,1]=4 540 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,1,0,0,0,0|2,0,1]=4 541 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,1,0,0,0,0|2,0,1]=4 542 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,1,0,0,0,0|2,0,1]=4 543 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,1,0,0,0,0|2,0,1]=4 544 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,1,0,0,0,0|1,0,1]=3 545 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,1,0,0,0,0|2,0,1]=4 546 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,1,0,0,0,0|2,0,1]=4 547 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|1,0,1]=3 548 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|1,0,1]=3 549 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,1,0,0,0,0|2,0,1]=4 550 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,1,0,0,0,0|2,0,1]=4 551 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,0,0,0,0|2,0,1]=4 552 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 553 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 554 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 555 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,1,0,0,0,0|2,0,1]=4 556 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,1,0,0,0,0|2,0,1]=4 557 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,1,0,0,0,0|2,0,1]=4 558 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,1,0,0,0,0|2,0,1]=4 559 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,0,0,0,0|2,0,0]=3 560 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,0,0,0,0|2,0,0]=3 561 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,0,0,0,0|2,0,0]=3 562 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,1,0,0,0,0|3,0,0]=4 563 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,1,0,0,0,0|3,0,0]=4 564 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,1,0,0,0,0|3,0,0]=4 565 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,1,0,0,0,0|3,0,0]=4 566 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,1,0,0,0,0|3,0,0]=4 567 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,1,0,0,0,0|3,0,0]=4 568 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,1,0,0,0,0|3,0,0]=4 569 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,0,0,0,0|2,0,1]=4 570 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,0,0,0,0|2,0,1]=4 571 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,0,0,0,0|2,0,1]=4 572 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,0,0,0,0|2,0,1]=4 573 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,1,0,0,0,0|2,0,1]=4 574 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,1,0,0,0,0|2,0,1]=4 575 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,1,0,0,0,0|2,0,1]=4 576 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,1,0,0,0,0|2,0,1]=4 577 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,1,0,0,0,0|2,0,1]=4 578 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|2,0,1]=4 579 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,1,0,0,0,0|2,0,1]=4 580 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,0,0,0,0|1,0,2]=4 581 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,0,0,0,0|1,0,2]=4 582 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,0,0,0,0|3,0,0]=4 583 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,0,0,0,0|2,0,1]=4 584 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,0,0,0,0|1,0,2]=4 585 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,0,0,0,0|1,0,2]=4 586 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|1,0,2]=4 587 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|0,0,3]=4 588 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|2,0,1]=4 589 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|2,0,1]=4 592 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 597 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|1,0,2]=4 599 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|1,0,2]=4 600 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,0,0,0,0|1,0,1]=3 601 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,0,0,0,0|1,0,1]=3 602 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,0,0,0,0|1,0,1]=3 603 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,0,0,0,0|1,0,1]=3 604 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,0,0,0,0|1,0,2]=4 605 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,0,0,0,0|1,0,2]=4 606 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,0,0,0,0|2,0,1]=4 607 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,0,0,0,0|2,0,1]=4 608 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,0,0,0,0|2,0,1]=4 609 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|1,0,2]=4 610 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|1,0,2]=4 611 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 612 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 613 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 614 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 615 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,1,0,0,0,0|2,0,1]=4 616 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,1,0,0,0,0|2,0,1]=4 617 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,0,0,0,0|2,0,1]=4 618 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,1,0,0,0,0|2,0,1]=4 619 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,1,0,0,0,0|2,0,1]=4 620 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,1,0,0,0,0|0,0,2]=3 621 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,1,0,0,0,0|0,0,2]=3 622 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,1,0,0,0,0|2,0,1]=4 623 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,0,0,0,0|2,0,1]=4 624 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,0,0,0,0|2,0,1]=4 625 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,0,0,0,0|2,0,1]=4 626 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,0,0,0,0|2,0,1]=4 627 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,0,0,0,0|2,0,1]=4 628 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,1,0,0,0,0|1,0,2]=4 629 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,0,0,0,0|2,0,1]=4 630 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,0,0,0,0|2,0,1]=4 631 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,1,0,0,0,0|1,0,2]=4 632 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,1,0,0,0,0|1,0,2]=4 633 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,0,0,0,0|2,0,1]=4 634 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,0,0,0,0|2,0,1]=4 635 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,1,0,0,0,0|2,0,1]=4 636 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,1,0,0,0,0|2,0,1]=4 637 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,1,0,0,0,0|2,0,1]=4 638 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,1,0,0,0,0|2,0,1]=4 639 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,1,0,0,0,0|2,0,1]=4 640 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,1,0,0,0,0|2,0,1]=4 641 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,1,0,0,0,0|2,0,1]=4 642 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,1,0,0,0,0|2,0,1]=4 643 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,1,0,0,0,0|2,0,1]=4 644 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,1,0,0,0,0|2,0,1]=4 645 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,1,0,0,0,0|2,0,1]=4 646 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,1,0,0,0,0|2,0,1]=4 647 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,1,0,0,0,0|2,0,1]=4 648 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,1,0,0,0,0|2,0,1]=4 649 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,1,0,0,0,0|2,0,1]=4 650 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,1,0,0,0,0|2,0,1]=4 651 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,1,0,0,0,0|2,0,1]=4 652 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,1,0,0,0,0|2,0,1]=4 653 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,1,0,0,0,0|2,0,1]=4 654 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,1,0,0,0,0|2,0,1]=4 655 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,1,0,0,0,0|2,0,1]=4 656 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,1,0,0,0,0|2,0,1]=4 657 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,1,0,0,0,0|2,0,1]=4 658 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,1,0,0,0,0|2,0,1]=4 659 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,1,0,0,0,0|2,0,1]=4 660 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,1,0,0,0,0|2,0,1]=4 661 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,1,0,0,0,0|2,0,1]=4 662 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,1,0,0,0,0|2,0,1]=4 663 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,1,0,0,0,0|2,0,1]=4 664 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,1,0,0,0,0|2,0,1]=4 665 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,1,0,0,0,0|2,0,1]=4 666 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,1,0,0,0,0|2,0,1]=4 667 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,1,0,0,0,0|2,0,1]=4 668 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,1,0,0,0,0|1,0,2]=4 669 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,0,0,0,0|1,0,2]=4 670 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,0,0,0,0|1,0,2]=4 671 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,0,0,0,0|1,0,2]=4 672 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,0,0,0,0|1,0,2]=4 673 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,0,0,0,0|1,0,2]=4 674 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,0,0,0,0|1,0,2]=4 675 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,0,0,0,0|1,0,2]=4 676 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,0,0,0,0|2,0,1]=4 677 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,0,0,0,0|2,0,1]=4 678 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,0,0,0,0|2,0,1]=4 679 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,0,0,0,0|2,0,1]=4 680 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,0,0,0,0|1,0,2]=4 681 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,0,0,0,0|2,0,1]=4 682 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,0,0,0,0|2,0,1]=4 683 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,0,0,0,0|1,0,1]=3 685 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,0,0,0,0|1,0,1]=3 686 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,0,0,0,0|1,0,1]=3 687 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,0,0,0,0|1,0,1]=3 688 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,1,0,0,0,0|1,0,1]=3 689 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,1,0,0,0,0|1,0,1]=3 690 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,0,0,0,0|1,0,1]=3 691 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,0,0,0,0|1,0,1]=3 692 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|1,0,1]=3 693 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,0,0,0,0|1,0,1]=3 694 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,0,0,0,0|1,0,1]=3 695 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,0,0,0,0|0,0,0]=1 696 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,0,0,0,0|0,0,0]=1 697 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,0,0,0,0|0,0,0]=1 698 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [0,1,0,0,0,0|2,0,0]=3 699 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [0,1,0,0,0,0|2,0,0]=3 700 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,1,0,0,0,0|0,0,2]=3 701 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,1,0,0,0,0|2,0,0]=3 702 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,1,0,0,0,0|0,0,3]=4 703 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,1,0,0,0,0|0,0,3]=4 704 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,1,0,0,0,0|0,0,2]=3 705 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,1,0,0,0,0|0,0,2]=3 706 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,0,0,0,0|0,0,2]=3 707 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,0,0,0,0|0,0,2]=3 708 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,0,0,0,0|0,0,2]=3 709 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,0,0,0,0|1,0,2]=4 710 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,0,0,0,0|1,0,2]=4 711 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,0,0,0,0|1,0,2]=4 712 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,0,0,0,0|1,0,2]=4 713 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,0,0,0,0|1,0,1]=3 714 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,0,0,0,0|1,0,1]=3 715 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,1,0,0,0,0|2,0,1]=4 716 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,0,0,0,0|1,0,1]=3 717 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,0,0,0,0|1,0,1]=3 718 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,0,0,0,0|1,0,1]=3 719 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,0,0,0,0|1,0,1]=3 720 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,0,0,0,0|1,0,1]=3 721 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,0,0,0,0|1,0,1]=3 723 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,0,0,0,0|1,0,1]=3 724 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,0,0,0,0|1,0,1]=3 725 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,0,0,0,0|1,0,1]=3 726 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,0,0,0,0|1,0,1]=3 727 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,0,0,0,0|1,0,1]=3 728 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,1,0,0,0,0|2,0,1]=4 729 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,0,0,0,0|1,0,1]=3 730 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,1,0,0,0,0|2,0,0]=3 731 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,1,0,0,0,0|1,0,1]=3 732 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,1,0,0,0,0|1,0,1]=3 733 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,0,0,0,0|1,0,1]=3 734 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,0,0,0,0|1,0,1]=3 735 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,0,0,0,0|1,0,1]=3 736 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,0,0,0,0|1,0,1]=3 737 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,0,0,0,0|1,0,1]=3 738 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,0,0,0,0|1,0,1]=3 739 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,0,0,0,0|1,0,1]=3 740 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,0,0,0,0|1,0,1]=3 741 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,0,0,0,0|1,0,1]=3 743 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,0,0,0,0|1,0,1]=3 744 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,0,0,0,0|1,0,1]=3 745 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,0,0,0,0|1,0,1]=3 746 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,0,0,0,0|1,0,1]=3 747 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,0,0,0,0|1,0,1]=3 748 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,0,0,0,0|1,0,1]=3 749 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,1,0,0,0,0|2,0,1]=4 750 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,1,0,0,0,0|2,0,1]=4 751 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,1,0,0,0,0|1,0,2]=4 752 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,1,0,0,0,0|1,0,2]=4 753 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,0,0,0,0|1,0,2]=4 754 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,0,0,0,0|1,0,2]=4 755 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,0,0,0,0|1,0,2]=4 756 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,0,0,0,0|1,0,2]=4 757 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,0,0,0,0|1,0,2]=4 758 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,1,0,0,0,0|1,0,2]=4 759 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,1,0,0,0,0|1,0,2]=4 760 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,0,0,0,0|1,0,2]=4 761 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,0,0,0,0|1,0,2]=4 762 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,0,0,0,0|1,0,2]=4 763 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,0,0,0,0|1,0,2]=4 764 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,0,0,0,0|1,0,2]=4 765 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,0,0,0,0|1,0,2]=4 766 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,0,0,0,0|1,0,2]=4 767 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,1,0,0,0,0|2,0,1]=4 768 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,0,0,0,0|2,0,1]=4 769 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,0,0,0,0|2,0,1]=4 770 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,0,0,0,0|2,0,1]=4 771 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,1,0,0,0,0|2,0,1]=4 772 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,1,0,0,0,0|2,0,1]=4 773 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,0,0,0,0|1,0,2]=4 774 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,0,0,0,0|1,0,2]=4 775 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,0,0,0,0|1,0,2]=4 776 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,0,0,0,0|1,0,2]=4 777 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,0,0,0,0|1,0,2]=4 778 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,0,0,0,0|1,0,2]=4 779 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,0,0,0,0|2,0,1]=4 780 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,0,0,0,0|2,0,1]=4 781 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,1,0,0,0,0|2,0,1]=4 782 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,0,0,0,0|2,0,1]=4 783 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,0,0,0,0|2,0,1]=4 784 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,1,0,0,0,0|2,0,1]=4 785 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,1,0,0,0,0|2,0,1]=4 786 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,0,0,0,0|1,0,1]=3 787 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,0,0,0,0|1,0,1]=3 788 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,0,0,0,0|1,0,1]=3 789 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,0,0,0,0|1,0,1]=3 790 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,0,0,0,0|2,0,1]=4 791 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,0,0,0,0|2,0,1]=4 792 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,0,0,0,0|2,0,1]=4 793 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,0,0,0,0|2,0,1]=4 794 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,0,0,0,0|2,0,1]=4 795 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,0,0,0,0|2,0,1]=4 796 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,0,0,0,0|2,0,1]=4 797 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,0,0,0,0|2,0,1]=4 798 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,0,0,0,0|2,0,1]=4 799 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,1,0,0,0,0|2,0,1]=4 800 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,1,0,0,0,0|2,0,1]=4 801 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,1,0,0,0,0|2,0,1]=4 802 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,0,0,0,0|2,0,1]=4 803 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,0,0,0,0|2,0,1]=4 804 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,1,0,0,0,0|2,0,1]=4 806 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,0,0,0,0|2,0,1]=4 807 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,0,0,0,0|2,0,1]=4 808 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,1,0,0,0,0|3,0,0]=4 809 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,1,0,0,0,0|2,0,1]=4 810 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,0,0,0,0|2,0,1]=4 811 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,1,0,0,0,0|2,0,1]=4 812 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,1,0,0,0,0|2,0,1]=4 813 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,1,0,0,0,0|2,0,1]=4 814 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,1,0,0,0,0|2,0,1]=4 815 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,1,0,0,0,0|2,0,1]=4 816 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,1,0,0,0,0|2,0,1]=4 817 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,1,0,0,0,0|2,0,1]=4 818 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [0,1,0,0,0,0|2,0,1]=4 819 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [0,1,0,0,0,0|2,0,1]=4 820 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,0,0,0,0|1,0,2]=4 821 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,0,0,0,0|2,0,1]=4 822 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,0,0,0,0|1,0,2]=4 823 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,0,0,0,0|1,0,2]=4 824 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,0,0,0,0|1,0,2]=4 825 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,1,0,0,0,0|1,0,2]=4 826 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,0,0,0,0|1,0,2]=4 827 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,0,0,0,0|1,0,2]=4 828 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,1,0,0,0,0|2,0,1]=4 829 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,1,0,0,0,0|1,0,2]=4 830 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,1,0,0,0,0|2,0,1]=4 831 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,1,0,0,0,0|1,0,1]=3 832 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,1,0,0,0,0|2,0,1]=4 833 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [0,1,0,0,0,0|2,0,1]=4 834 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|1,0,1]=3 835 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|1,0,1]=3 836 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,0,0,0,0|2,0,1]=4 837 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,0,0,0,0|2,0,1]=4 838 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,0,0,0,0|2,0,1]=4 839 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,0,0,0,0|2,0,1]=4 840 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,0,0,0,0|2,0,1]=4 841 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,0,0,0,0|2,0,0]=3 842 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,0,0,0,0|2,0,0]=3 843 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,0,0,0,0|2,0,0]=3 844 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,1,0,0,0,0|3,0,0]=4 845 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 846 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 847 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 848 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 849 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,0,0,0,0|2,0,1]=4 850 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,0,0,0,0|2,0,1]=4 851 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,1,0,0,0,0|1,0,2]=4 852 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,0,0,0,0|1,0,2]=4 853 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,0,0,0,0|1,0,2]=4 854 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,0,0,0,0|0,0,3]=4 855 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,0,0,0,0|2,0,1]=4 856 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,0,0,0,0|2,0,1]=4 857 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,0,0,0,0|1,0,2]=4 858 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,0,0,0,0|1,0,2]=4 859 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,0,0,0,0|1,0,2]=4 860 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,0,0,0,0|1,0,2]=4 861 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,0,0,0,0|1,0,2]=4 862 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|1,0,2]=4 863 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,0,0,0,0|1,0,2]=4 864 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,0,0,0,0|0,0,3]=4 865 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,0,0,0,0|0,0,3]=4 866 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,0,0,0,0|2,0,1]=4 867 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,0,0,0,0|2,0,1]=4 868 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,0,0,0,0|2,0,1]=4 869 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,0,0,0,0|2,0,1]=4 870 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,0,0,0,0|2,0,1]=4 871 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,0,0,0,0|2,0,1]=4 872 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,0,0,0,0|2,0,1]=4 873 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,0,0,0,0|2,0,1]=4 874 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,0,0,0,0|2,0,1]=4 875 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,0,0,0,0|2,0,1]=4 876 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,0,0,0,0|2,0,1]=4 877 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,0,0,0,0|1,0,1]=3 878 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,0,0,0,0|1,0,1]=3 879 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,0,0,0,0|2,0,1]=4 880 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,0,0,0,0|2,0,1]=4 881 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,0,0,0,0|2,0,1]=4 882 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,1,0,0,0,0|2,0,1]=4 883 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,0,0,0,0|1,0,2]=4 884 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,0,0,0,0|3,0,0]=4 885 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,0,0,0,0|3,0,0]=4 886 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,0,0,0,0|3,0,0]=4 887 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,0,0,0,0|3,0,0]=4 888 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,0,0,0,0|3,0,0]=4 889 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,0,0,0,0|3,0,0]=4 890 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,0,0,0,0|3,0,0]=4 891 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,0,0,0,0|3,0,0]=4 892 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,0,0,0,0|3,0,0]=4 893 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,0,0,0,0|3,0,0]=4 894 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,0,0,0,0|3,0,0]=4 895 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,0,0,0,0|3,0,0]=4 896 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,0,0,0,0|3,0,0]=4 897 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,0,0,0,0|3,0,0]=4 898 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,0,0,0,0|3,0,0]=4 899 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,0,0,0,0|3,0,0]=4 900 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,0,0,0,0|3,0,0]=4 901 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,0,0,0,0|3,0,0]=4 902 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,0,0,0,0|3,0,0]=4 903 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,0,0,0,0|3,0,0]=4 904 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,0,0,0,0|3,0,0]=4 905 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,0,0,0,0|3,0,0]=4 906 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,0,0,0,0|3,0,0]=4 907 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,0,0,0,0|3,0,0]=4 908 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,0,0,0,0|2,0,1]=4 909 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,0,0,0,0|2,0,1]=4 910 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,0,0,1,0,0|3,0,0]=4 911 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,0,0,1,0,0|3,0,0]=4 912 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,0,0,1,0,0|3,0,0]=4 913 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,0,0,1,0,0|3,0,0]=4 914 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,0,0,1,0,0|1,0,2]=4 915 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,0,0,1,0,0|1,0,2]=4 916 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,0,0,1,0,0|1,1,1]=4 917 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,0,0,1,0,0|1,1,1]=4 918 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,0,0,1,0,0|3,0,0]=4 919 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,0,0,1,0,0|3,0,0]=4 920 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,0,0,1,0,0|3,0,0]=4 921 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,0,0,1,0,0|3,0,0]=4 922 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,0,0,1,0,0|2,0,1]=4 923 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,0,0,1,0,0|2,0,1]=4 924 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,0,0,1,0,0|2,1,0]=4 925 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,0,0,1,0,0|2,1,0]=4 926 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [0,0,0,1,0,0|3,0,0]=4 927 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [0,0,0,1,0,0|3,0,0]=4 928 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,0,0,1,0,0|3,0,0]=4 929 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,0,0,1,0,0|3,0,0]=4 930 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,0,0,1,0,0|3,0,0]=4 931 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,0,0,1,0,0|3,0,0]=4 932 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,0,0,1,0,0|1,0,2]=4 933 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,0,0,1,0,0|1,0,2]=4 934 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,0,0,1,0,0|1,1,1]=4 935 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,0,0,1,0,0|1,1,1]=4 936 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,0,0,1,0,0|3,0,0]=4 937 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,0,0,1,0,0|3,0,0]=4 938 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,0,0,1,0,0|3,0,0]=4 939 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,0,0,1,0,0|3,0,0]=4 940 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,0,0,1,0,0|2,0,1]=4 941 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,0,0,1,0,0|2,0,1]=4 942 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,0,0,1,0,0|2,1,0]=4 943 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,0,0,1,0,0|2,1,0]=4 944 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [0,0,0,1,0,0|3,0,0]=4 945 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [0,0,0,1,0,0|3,0,0]=4 946 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,0,0,1,0,0|2,0,0]=3 947 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,0,0,1,0,0|2,0,0]=3 948 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,0,0,1,0,0|2,0,0]=3 949 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,0,0,1,0,0|2,0,0]=3 950 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,0,0,1,0,0|2,0,0]=3 951 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,0,0,1,0,0|2,0,0]=3 952 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,0,0,1,0,0|1,0,2]=4 953 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,0,0,1,0,0|2,0,1]=4 954 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,0,0,1,0,0|2,0,1]=4 955 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,0,1,0,0|1,0,1]=3 956 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,0,0,1,0,0|2,0,1]=4 957 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,0,0,1,0,0|2,0,1]=4 958 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,0,0,1,0,0|2,0,1]=4 959 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,0,0,1,0,0|1,0,1]=3 960 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,0,0,1,0,0|1,0,1]=3 961 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|1,0,2]=4 962 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|1,0,2]=4 963 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|1,0,2]=4 964 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|1,0,2]=4 965 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|1,0,2]=4 966 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|1,0,2]=4 967 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|1,0,2]=4 968 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 969 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 970 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 971 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 972 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 973 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|1,0,1]=4 974 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|1,0,1]=4 975 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|1,0,1]=4 976 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|1,0,1]=4 977 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|1,0,1]=4 978 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|1,0,1]=4 979 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|1,0,1]=4 980 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 981 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,1]=4 982 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 983 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,1]=4 984 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,1]=4 985 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,1]=4 986 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,1]=4 987 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,1]=4 988 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,1]=4 989 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,1]=4 990 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,1]=4 991 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,1]=4 992 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 993 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,1]=4 994 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 995 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 996 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 997 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 998 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 999 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 1000 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 1001 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 1002 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 1003 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 1004 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,1,0,0,0,0|1,0,1]=4 1005 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,1,0,0,0,0|1,0,1]=4 1006 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,1,0,0,0,0|2,0,0]=4 1007 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,1,0,0,0,0|2,0,0]=4 1008 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|0,0,2]=4 1009 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,1,0,0,0,0|1,0,1]=4 1010 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1011 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,1,0,0,0,0|2,0,0]=4 1012 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [1,1,0,0,0,0|1,0,1]=4 1013 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,1,0,0,0,0|1,0,0]=3 1014 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,1,0,0,0,0|1,0,0]=3 1015 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,1,0,0,0,0|2,0,0]=4 1016 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|2,0,0]=4 1017 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,1,0,0,0,0|2,0,0]=4 1018 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,1,0,0,0,0|2,0,0]=4 1019 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,1,0,0,0,0|2,0,0]=4 1020 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,1,0,0,0,0|2,0,0]=4 1021 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,1,0,0,0,0|2,0,0]=4 1022 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,1,0,0,0,0|2,0,0]=4 1023 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,1,0,0,0,0|2,0,0]=4 1024 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,1,0,0,0,0|2,0,0]=4 1025 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|1,0,0]=3 1026 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|1,0,1]=4 1027 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|2,0,0]=4 1028 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|2,0,0]=4 1029 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|2,0,0]=4 1030 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,1,0,0,0,0|1,0,0]=3 1031 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,1,0,0,0,0|1,0,0]=3 1032 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,1,0,0,0,0|1,0,0]=3 1033 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,1,0,0,0,0|1,0,1]=4 1034 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,1,0,0,0,0|1,0,1]=4 1035 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|1,0,1]=4 1036 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|0,0,2]=4 1037 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|0,0,2]=4 1038 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|2,0,0]=4 1039 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|2,0,0]=4 1040 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|2,0,0]=4 1041 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|2,0,0]=4 1042 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|2,0,0]=4 1043 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|2,0,0]=4 1044 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|2,0,0]=4 1045 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|2,0,0]=4 1046 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|2,0,0]=4 1047 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|0,0,2]=4 1048 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|0,0,2]=4 1049 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,1]=4 1050 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,2]=4 1051 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,1,0,0,0,0|1,0,0]=3 1052 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,1,0,0,0,0|1,0,0]=3 1053 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 1054 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 1055 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 1056 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 1057 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 1058 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,1,0,0,0,0|2,0,0]=4 1059 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,1,0,0,0,0|2,0,0]=4 1060 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,1,0,0,0,0|2,0,0]=4 1061 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,1,0,0,0,0|2,0,0]=4 1062 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,1,0,0,0,0|2,0,0]=4 1063 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,1,0,0,0,0|2,0,0]=4 1064 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [1,1,0,0,0,0|2,0,0]=4 1065 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [1,1,0,0,0,0|2,0,0]=4 1066 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [1,1,0,0,0,0|2,0,0]=4 1067 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|0,0,0]=2 1068 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,1,0,0,0,0|2,0,0]=4 1069 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|2,0,0]=4 1070 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|2,0,0]=4 1071 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|2,0,0]=4 1072 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|2,0,0]=4 1073 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|2,0,0]=4 1074 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|2,0,0]=4 1075 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|2,0,0]=4 1076 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|2,0,0]=4 1077 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|2,0,0]=4 1078 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|2,0,0]=4 1079 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,1,0,0,0,0|0,0,2]=4 1080 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,1,0,0,0,0|0,0,2]=4 1081 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|0,0,2]=4 1082 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|0,0,2]=4 1083 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|0,0,2]=4 1084 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|2,0,0]=4 1085 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|2,0,0]=4 1086 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|2,0,0]=4 1087 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,1,0,0,0,0|2,0,0]=4 1088 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,1,0,0,0,0|2,0,0]=4 1089 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,1,0,0,0,0|2,0,0]=4 1090 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,1,0,0,0,0|2,0,0]=4 1091 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,1,0,0,0,0|2,0,0]=4 1092 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,1,0,0,0,0|2,0,0]=4 1093 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,1,0,0,0,0|2,0,0]=4 1094 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|0,0,2]=4 1095 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|2,0,0]=4 1096 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1097 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|2,0,0]=4 1099 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,1]=4 1100 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,1]=4 1101 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 1102 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 1103 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,1]=4 1104 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,1]=4 1105 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|2,0,0]=4 1106 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,1,0,0,0,0|1,0,0]=3 1107 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,1,0,0,0,0|1,0,0]=3 1108 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,1,0,0,0,0|1,0,0]=3 1109 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,1,0,0,0,0|1,0,0]=3 1110 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,1,0,0,0,0|1,0,0]=3 1111 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|0,0,0]=2 1112 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|0,0,0]=2 1113 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|0,0,0]=2 1114 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,1,0,0,0,0|2,0,0]=4 1115 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|2,0,0]=4 1116 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|0,0,2]=4 1117 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|0,0,2]=4 1118 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|0,0,0]=2 1119 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|0,0,0]=2 1120 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,1]=3 1121 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,1]=3 1122 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,1]=3 1123 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 1124 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 1125 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 1126 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,1]=4 1127 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,0]=3 1128 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,0]=3 1129 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|1,0,0]=3 1130 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|2,0,0]=4 1131 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,0,0]=3 1132 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,0,0]=3 1133 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,0]=3 1134 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,0,0]=3 1135 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,0,0]=3 1136 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,1,0,0,0,0|2,0,0]=4 1137 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|1,0,0]=3 1138 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,0]=3 1139 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,0]=3 1140 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|1,0,0]=3 1141 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|1,0,0]=3 1142 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|1,0,0]=3 1143 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,1,0,0,0,0|2,0,0]=4 1144 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 1145 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|2,0,0]=4 1146 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|2,0,0]=4 1147 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 1148 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,1]=4 1149 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 1150 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,1]=4 1151 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 1152 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|2,0,0]=4 1153 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|1,0,0]=3 1154 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|1,0,0]=3 1155 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|2,0,0]=4 1156 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|2,0,0]=4 1157 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,1]=4 1158 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,1]=4 1159 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 1160 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 1161 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 1162 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,0,1]=4 1163 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 1164 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,1]=4 1165 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|2,0,0]=4 1166 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|2,0,0]=4 1167 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,1]=4 1168 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,1]=4 1169 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,1]=4 1170 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,1]=4 1171 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,1]=4 1172 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,1]=4 1173 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,1]=4 1174 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,1,0,0,0,0|2,0,0]=4 1175 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,1,0,0,0,0|2,0,0]=4 1176 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|2,0,0]=4 1177 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,1,0,0,0,0|2,0,0]=4 1178 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,1,0,0,0,0|2,0,0]=4 1179 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|2,0,0]=4 1180 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 1181 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 1182 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,1]=4 1183 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,1]=4 1184 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,2,0,0,0,0|1,0,1]=4 1185 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,2,0,0,0,0|0,0,2]=4 1186 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,2,0,0,0,0|1,0,1]=4 1187 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,2,0,0,0,0|1,0,1]=4 1188 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,2,0,0,0,0|1,0,1]=4 1189 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,2,0,0,0,0|1,0,1]=4 1190 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,2,0,0,0,0|1,0,1]=4 1191 B8R0.1 C=CCC(=O)C/C=C/C 1458a_100000210193_100102629194 [0,2,0,0,0,0|1,0,1]=4 1192 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,2,0,0,0,0|1,0,0]=3 1193 B8R0.1 C=CCC(=O)C=COC 1458a_100016268678_100000210623 [0,2,0,0,0,0|1,0,1]=4 1194 B8R0.1 C=CCC(=O)CC=CC 1458a_100000210193_100000070051 [0,2,0,0,0,0|1,0,1]=4 1195 B8R0.1 C=CCC(=O)CC=CC 1458a_100121576822_100000210623 [0,2,0,0,0,0|1,0,1]=4 1196 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,2,0,0,0,0|1,0,1]=4 1197 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,2,0,0,0,0|1,0,1]=4 1198 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,2,0,0,0,0|1,0,1]=4 1199 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,2,0,0,0,0|1,0,1]=4 1200 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,2,0,0,0,0|1,0,1]=4 1201 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,2,0,0,0,0|1,0,1]=4 1202 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,2,0,0,0,0|1,0,1]=4 1203 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,2,0,0,0,0|1,0,1]=4 1204 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,2,0,0,0,0|1,0,1]=4 1205 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,2,0,0,0,0|1,0,1]=4 1206 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 1207 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 1208 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 1209 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,2,0,0,0,0|1,0,1]=4 1210 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,2,0,0,0,0|2,0,0]=4 1211 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,2,0,0,0,0|2,0,0]=4 1212 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,2,0,0,0,0|2,0,0]=4 1213 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,2,0,0,0,0|2,0,0]=4 1214 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,2,0,0,0,0|2,0,0]=4 1215 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,2,0,0,0,0|2,0,0]=4 1216 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,2,0,0,0,0|2,0,0]=4 1217 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,2,0,0,0,0|1,0,1]=4 1218 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,2,0,0,0,0|1,0,1]=4 1219 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,2,0,0,0,0|1,0,1]=4 1220 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,2,0,0,0,0|1,0,1]=4 1221 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,2,0,0,0,0|1,0,1]=4 1222 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,2,0,0,0,0|1,0,1]=4 1223 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,2,0,0,0,0|1,0,1]=4 1224 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,2,0,0,0,0|1,0,1]=4 1225 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,2,0,0,0,0|1,0,1]=4 1226 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,2,0,0,0,0|1,0,1]=4 1227 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,2,0,0,0,0|1,0,1]=4 1228 B8R0.1 C=CCNC(=O)C=CC 1626a_100020586998_100000210699 [0,2,0,0,0,0|1,0,1]=4 1229 B8R0.1 C=CCNC(=O)C=CC 240690a_100020586998_100000210699 [0,2,0,0,0,0|1,0,1]=4 1230 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,2,0,0,0,0|1,0,1]=4 1231 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,2,0,0,0,0|1,0,1]=4 1232 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,2,0,0,0,0|1,0,1]=4 1233 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,2,0,0,0,0|2,0,0]=4 1234 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,2,0,0,0,0|2,0,0]=4 1235 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,2,0,0,0,0|2,0,0]=4 1236 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 1237 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 1238 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,2,0,0,0,0|2,0,0]=4 1239 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,2,0,0,0,0|2,0,0]=4 1240 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,2,0,0,0,0|2,0,0]=4 1241 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,2,0,0,0,0|2,0,0]=4 1242 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,2,0,0,0,0|2,0,0]=4 1243 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,2,0,0,0,0|2,0,0]=4 1244 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,2,0,0,0,0|2,0,0]=4 1245 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,2,0,0,0,0|2,0,0]=4 1246 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,2,0,0,0,0|2,0,0]=4 1247 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,2,0,0,0,0|2,0,0]=4 1248 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,2,0,0,0,0|2,0,0]=4 1249 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,2,0,0,0,0|2,0,0]=4 1250 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,2,0,0,0,0|2,0,0]=4 1251 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,2,0,0,0,0|2,0,0]=4 1252 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,2,0,0,0,0|2,0,0]=4 1253 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,2,0,0,0,0|2,0,0]=4 1254 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,2,0,0,0,0|2,0,0]=4 1255 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,2,0,0,0,0|2,0,0]=4 1256 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,2,0,0,0,0|2,0,0]=4 1257 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,2,0,0,0,0|2,0,0]=4 1258 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,2,0,0,0,0|2,0,0]=4 1259 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,2,0,0,0,0|1,0,1]=4 1260 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,2,0,0,0,0|1,0,1]=4 1261 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,2,0,0,0,0|1,0,1]=4 1262 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,2,0,0,0,0|1,0,1]=4 1263 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,2,0,0,0,0|1,0,1]=4 1264 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,2,0,0,0,0|1,0,1]=4 1265 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,2,0,0,0,0|1,0,1]=4 1266 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,2,0,0,0,0|2,0,0]=4 1267 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,2,0,0,0,0|2,0,0]=4 1268 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,2,0,0,0,0|2,0,0]=4 1269 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,2,0,0,0,0|1,0,1]=4 1270 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,2,0,0,0,0|1,0,1]=4 1271 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,2,0,0,0,0|1,0,1]=4 1272 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,2,0,0,0,0|0,0,2]=4 1273 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,2,0,0,0,0|0,0,2]=4 1274 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,2,0,0,0,0|0,0,2]=4 1275 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,2,0,0,0,0|0,0,2]=4 1276 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,2,0,0,0,0|0,0,2]=4 1277 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,2,0,0,0,0|0,0,2]=4 1278 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,2,0,0,0,0|0,0,2]=4 1279 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,2,0,0,0,0|0,0,2]=4 1280 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,2,0,0,0,0|1,0,1]=4 1281 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,2,0,0,0,0|1,0,1]=4 1282 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,2,0,0,0,0|1,0,1]=4 1283 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,2,0,0,0,0|1,0,1]=4 1284 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [0,2,0,0,0,0|1,0,1]=4 1285 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [0,2,0,0,0,0|1,0,1]=4 1286 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,2,0,0,0,0|1,0,1]=4 1287 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,2,0,0,0,0|1,0,1]=4 1288 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [0,2,0,0,0,0|1,0,1]=4 1289 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [0,2,0,0,0,0|1,0,1]=4 1290 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,2,0,0,0,0|1,0,1]=4 1291 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|1,0,1]=4 1292 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [0,2,0,0,0,0|1,0,1]=4 1293 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [0,2,0,0,0,0|1,0,1]=4 1294 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [0,2,0,0,0,0|1,0,1]=4 1295 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [0,2,0,0,0,0|1,0,1]=4 1296 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [0,2,0,0,0,0|1,0,1]=4 1297 B8R0.4 C#CCNC/C=C\CC 34a_100000212058_100103147603 [0,2,0,0,0,0|1,0,1]=4 1298 B8R0.4 C#CCOC/C=C\CC 34a_100000210247_100103147603 [0,2,0,0,0,0|1,0,1]=4 1299 B8R0.4 C#CCOC/C=C\CC 34a_100016268518_100000184674 [0,2,0,0,0,0|1,0,1]=4 1300 B8R0.4 C#CCSC/C=C\CC 62a_100000038162_100103147603 [0,2,0,0,0,0|1,0,1]=4 1301 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [0,2,0,0,0,0|1,0,1]=4 1302 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [0,2,0,0,0,0|1,0,1]=4 1303 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [0,2,0,0,0,0|0,0,2]=4 1304 B8R0.4 C=CCCC=NNCC 4a_100000756455_100011216789 [0,2,0,0,0,0|1,0,1]=4 1305 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [0,2,0,0,0,0|1,0,1]=4 1306 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [0,2,0,0,0,0|1,0,1]=4 1307 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [0,2,0,0,0,0|1,0,1]=4 1308 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [0,2,0,0,0,0|1,0,1]=4 1309 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [0,2,0,0,0,0|1,0,1]=4 1310 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [0,2,0,0,0,0|1,0,1]=4 1311 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [0,2,0,0,0,0|1,0,0]=3 1312 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [0,2,0,0,0,0|1,0,0]=3 1313 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [0,2,0,0,0,0|1,0,0]=3 1314 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [0,2,0,0,0,0|1,0,0]=3 1315 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [0,2,0,0,0,0|1,0,0]=3 1316 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [0,2,0,0,0,0|1,0,1]=4 1317 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [0,2,0,0,0,0|0,0,2]=4 1318 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [0,2,0,0,0,0|0,0,2]=4 1319 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [0,2,0,0,0,0|0,0,2]=4 1320 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [0,2,0,0,0,0|0,0,2]=4 1321 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [0,2,0,0,0,0|1,0,1]=4 1322 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [0,2,0,0,0,0|0,0,2]=4 1323 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [0,2,0,0,0,0|0,0,2]=4 1324 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [0,2,0,0,0,0|0,0,2]=4 1325 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [0,2,0,0,0,0|0,0,2]=4 1326 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [0,2,0,0,0,0|0,0,2]=4 1327 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [0,2,0,0,0,0|0,1,1]=4 1328 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [0,2,0,0,0,0|0,1,1]=4 1329 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [0,2,0,0,0,0|0,1,1]=4 1330 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [0,2,0,0,0,0|0,1,1]=4 1331 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [0,2,0,0,0,0|1,0,1]=4 1332 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [0,2,0,0,0,0|0,0,2]=4 1333 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [0,2,0,0,0,0|0,0,2]=4 1334 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [0,2,0,0,0,0|0,0,0]=2 1335 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [0,2,0,0,0,0|1,0,1]=4 1336 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [0,2,0,0,0,0|1,0,1]=4 1337 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [0,2,0,0,0,0|1,0,1]=4 1338 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [0,2,0,0,0,0|1,0,1]=4 1339 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [0,2,0,0,0,0|1,0,1]=4 1340 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [0,2,0,0,0,0|0,0,2]=4 1341 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [0,2,0,0,0,0|0,1,1]=4 1342 B8R0.4 CC/C=C\CSCC#N 62a_100011215382_100103147603 [0,2,0,0,0,0|1,0,1]=4 1343 B8R0.4 CC/C=C\CSCC#N 62a_100103147603_100011215382 [0,2,0,0,0,0|1,0,1]=4 1344 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [0,2,0,0,0,0|0,0,0]=2 1345 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [0,2,0,0,0,0|0,0,0]=2 1346 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [0,2,0,0,0,0|1,0,1]=4 1347 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [0,2,0,0,0,0|1,0,1]=4 1348 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [0,2,0,0,0,0|1,0,1]=4 1349 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [0,2,0,0,0,0|1,0,1]=4 1350 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [0,2,0,0,0,0|0,0,2]=4 1351 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [0,2,0,0,0,0|0,0,2]=4 1352 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [0,2,0,0,0,0|0,0,2]=4 1353 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [0,2,0,0,0,0|0,0,2]=4 1354 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [0,2,0,0,0,0|0,1,1]=4 1355 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [0,2,0,0,0,0|0,1,1]=4 1356 B8R0.4 CCC#CCOCC=O 34a_100000032950_200009817547 [0,2,0,0,0,0|0,0,2]=4 1357 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [0,2,0,0,0,0|0,0,2]=4 1358 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [0,2,0,0,0,0|0,0,2]=4 1359 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [0,2,0,0,0,0|1,0,1]=4 1360 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [0,2,0,0,0,0|1,0,1]=4 1361 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [0,2,0,0,0,0|1,0,1]=4 1362 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [0,2,0,0,0,0|1,0,1]=4 1363 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [0,2,0,0,0,0|1,0,1]=4 1364 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [0,2,0,0,0,0|1,0,1]=4 1365 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [0,2,0,0,0,0|1,0,1]=4 1366 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [0,2,0,0,0,0|1,0,1]=4 1367 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,2,0,0,0,0|0,0,2]=4 1368 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,2,0,0,0,0|0,0,2]=4 1369 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,2,0,0,0,0|0,0,2]=4 1370 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,2,0,0,0,0|0,0,2]=4 1371 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,2,0,0,0,0|0,0,2]=4 1372 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,2,0,0,0,0|0,0,2]=4 1373 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,2,0,0,0,0|0,0,2]=4 1374 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,2,0,0,0,0|0,0,2]=4 1375 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,2,0,0,0,0|0,0,2]=4 1376 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,2,0,0,0,0|0,0,2]=4 1377 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,2,0,0,0,0|0,0,2]=4 1378 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,2,0,0,0,0|0,0,2]=4 1379 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,2,0,0,0,0|0,0,2]=4 1380 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,2,0,0,0,0|0,0,2]=4 1381 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,2,0,0,0,0|0,0,2]=4 1382 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,2,0,0,0,0|0,0,2]=4 1383 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,2,0,0,0,0|0,0,2]=4 1384 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,2,0,0,0,0|0,0,2]=4 1385 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,2,0,0,0,0|0,0,2]=4 1386 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,2,0,0,0,0|0,0,2]=4 1387 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,2,0,0,0,0|0,0,2]=4 1388 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,2,0,0,0,0|0,0,2]=4 1389 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,2,0,0,0,0|0,0,2]=4 1390 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,2,0,0,0,0|0,0,2]=4 1391 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,2,0,0,0,0|0,0,2]=4 1392 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,2,0,0,0,0|0,0,2]=4 1393 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,2,0,0,0,0|0,0,2]=4 1394 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,2,0,0,0,0|0,0,2]=4 1395 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,2,0,0,0,0|0,0,2]=4 1396 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,2,0,0,0,0|0,0,2]=4 1397 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,2,0,0,0,0|0,0,2]=4 1398 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,2,0,0,0,0|0,0,2]=4 1399 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,2,0,0,0,0|0,0,2]=4 1400 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,2,0,0,0,0|0,0,2]=4 1401 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,2,0,0,0,0|0,0,2]=4 1402 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,2,0,0,0,0|0,0,2]=4 1403 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,2,0,0,0,0|0,0,2]=4 1404 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [0,2,0,0,0,0|1,0,1]=4 1405 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [0,2,0,0,0,0|1,0,1]=4 1406 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,2,0,0,0,0|0,0,2]=4 1407 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,2,0,0,0,0|0,0,2]=4 1408 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,2,0,0,0,0|0,0,2]=4 1409 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,2,0,0,0,0|0,0,2]=4 1410 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [0,2,0,0,0,0|1,0,1]=4 1411 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [0,2,0,0,0,0|1,0,1]=4 1412 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,2,0,0,0,0|0,0,2]=4 1413 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,2,0,0,0,0|0,0,2]=4 1414 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,2,0,0,0,0|0,0,2]=4 1415 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,2,0,0,0,0|0,0,2]=4 1416 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,2,0,0,0,0|0,0,2]=4 1417 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,2,0,0,0,0|0,0,2]=4 1418 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,2,0,0,0,0|0,0,2]=4 1419 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,2,0,0,0,0|0,0,2]=4 1420 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,2,0,0,0,0|0,0,2]=4 1421 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,2,0,0,0,0|0,0,2]=4 1422 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,2,0,0,0,0|0,0,2]=4 1423 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,2,0,0,0,0|0,0,2]=4 1424 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,2,0,0,0,0|0,0,2]=4 1425 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,2,0,0,0,0|0,0,2]=4 1426 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,2,0,0,0,0|0,0,2]=4 1427 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,2,0,0,0,0|0,0,2]=4 1428 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,2,0,0,0,0|0,0,2]=4 1429 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,2,0,0,0,0|0,0,2]=4 1430 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,2,0,0,0,0|0,0,0]=2 1431 B8R0.6 C#CC(=O)CC#CCC 1458a_100000211873_100009813939 [0,2,0,0,0,0|0,0,2]=4 1432 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,2,0,0,0,0|0,0,2]=4 1433 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,2,0,0,0,0|1,0,1]=4 1434 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,2,0,0,0,0|1,0,1]=4 1435 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,2,0,0,0,0|0,0,2]=4 1436 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,2,0,0,0,0|0,0,2]=4 1437 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,2,0,0,0,0|0,0,2]=4 1438 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,2,0,0,0,0|0,0,2]=4 1439 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,2,0,0,0,0|0,0,2]=4 1440 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,2,0,0,0,0|0,0,0]=2 1441 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,2,0,0,0,0|0,0,2]=4 1442 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,2,0,0,0,0|0,0,2]=4 1443 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,2,0,0,0,0|1,0,1]=4 1444 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,2,0,0,0,0|1,0,1]=4 1445 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,2,0,0,0,0|1,0,1]=4 1446 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,2,0,0,0,0|1,0,1]=4 1447 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|1,0,1]=4 1448 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|1,0,1]=4 1449 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,2,0,0,0,0|1,0,1]=4 1450 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,2,0,0,0,0|1,0,1]=4 1451 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,2,0,0,0,0|1,0,1]=4 1452 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,2,0,0,0,0|1,0,1]=4 1453 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [0,2,0,0,0,0|2,0,0]=4 1454 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,2,0,0,0,0|1,0,1]=4 1455 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,2,0,0,0,0|1,0,1]=4 1456 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,2,0,0,0,0|1,0,1]=4 1457 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,2,0,0,0,0|1,0,1]=4 1458 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,2,0,0,0,0|1,0,1]=4 1459 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|1,0,1]=4 1460 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|1,0,1]=4 1461 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,2,0,0,0,0|0,0,0]=2 1462 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,2,0,0,0,0|0,0,0]=2 1463 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,2,0,0,0,0|0,0,0]=2 1464 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,2,0,0,0,0|0,0,0]=2 1465 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,2,0,0,0,0|0,0,0]=2 1466 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,2,0,0,0,0|0,0,0]=2 1467 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,2,0,0,0,0|0,0,0]=2 1468 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,2,0,0,0,0|0,0,0]=2 1469 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [0,2,0,0,0,0|1,0,1]=4 1470 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [0,2,0,0,0,0|1,0,1]=4 1471 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,2,0,0,0,0|0,0,2]=4 1472 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,2,0,0,0,0|0,0,2]=4 1473 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,2,0,0,0,0|2,0,0]=4 1474 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,2,0,0,0,0|0,0,1]=3 1475 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,2,0,0,0,0|0,0,1]=3 1476 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,2,0,0,0,0|0,0,1]=3 1477 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,2,0,0,0,0|0,0,2]=4 1478 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,2,0,0,0,0|0,0,2]=4 1479 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,2,0,0,0,0|0,0,2]=4 1480 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,2,0,0,0,0|0,0,2]=4 1481 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,2,0,0,0,0|0,0,2]=4 1482 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,2,0,0,0,0|0,0,2]=4 1483 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,2,0,0,0,0|2,0,0]=4 1484 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,2,0,0,0,0|0,0,2]=4 1485 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,2,0,0,0,0|0,0,2]=4 1486 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,2,0,0,0,0|0,0,2]=4 1487 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,2,0,0,0,0|0,0,2]=4 1488 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,2,0,0,0,0|0,0,2]=4 1489 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|0,0,2]=4 1490 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|0,0,2]=4 1491 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,2,0,0,0,0|0,0,2]=4 1492 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,2,0,0,0,0|0,0,2]=4 1493 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,2,0,0,0,0|0,0,2]=4 1494 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,2,0,0,0,0|0,0,2]=4 1495 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,2,0,0,0,0|0,0,2]=4 1496 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,2,0,0,0,0|0,0,2]=4 1497 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,2,0,0,0,0|1,0,1]=4 1498 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|1,0,1]=4 1499 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|1,0,1]=4 1500 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,2,0,0,0,0|1,0,1]=4 1501 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,2,0,0,0,0|1,0,1]=4 1502 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,2,0,0,0,0|1,0,1]=4 1503 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,2,0,0,0,0|1,0,1]=4 1504 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,2,0,0,0,0|1,0,1]=4 1505 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,2,0,0,0,0|1,0,1]=4 1506 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,2,0,0,0,0|1,0,1]=4 1507 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,2,0,0,0,0|1,0,1]=4 1508 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|1,0,1]=4 1509 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|1,0,1]=4 1510 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|1,0,1]=4 1511 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,2,0,0,0,0|1,0,1]=4 1512 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,2,0,0,0,0|1,0,1]=4 1513 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,2,0,0,0,0|1,0,1]=4 1514 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,2,0,0,0,0|1,0,1]=4 1515 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,2,0,0,0,0|1,0,1]=4 1516 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,2,0,0,0,0|1,0,1]=4 1517 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,2,0,0,0,0|1,0,1]=4 1518 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,2,0,0,0,0|1,0,1]=4 1519 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,2,0,0,0,0|1,0,1]=4 1520 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,2,0,0,0,0|0,0,2]=4 1521 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,2,0,0,0,0|0,0,2]=4 1522 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,2,0,0,0,0|1,0,1]=4 1523 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,2,0,0,0,0|1,0,1]=4 1524 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,2,0,0,0,0|1,0,1]=4 1525 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,2,0,0,0,0|1,0,1]=4 1526 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,2,0,0,0,0|1,0,1]=4 1527 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,2,0,0,0,0|1,0,1]=4 1528 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,2,0,0,0,0|1,0,1]=4 1529 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,2,0,0,0,0|1,0,1]=4 1530 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,2,0,0,0,0|1,0,1]=4 1531 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|1,0,1]=4 1532 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|1,0,1]=4 1533 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,2,0,0,0,0|1,0,1]=4 1534 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,2,0,0,0,0|1,0,1]=4 1535 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,2,0,0,0,0|1,0,1]=4 1536 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,2,0,0,0,0|1,0,1]=4 1537 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,2,0,0,0,0|1,0,1]=4 1538 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,2,0,0,0,0|1,0,1]=4 1539 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,2,0,0,0,0|1,0,1]=4 1540 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,2,0,0,0,0|1,0,1]=4 1541 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,2,0,0,0,0|1,0,1]=4 1542 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,2,0,0,0,0|1,0,1]=4 1543 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,2,0,0,0,0|1,0,1]=4 1544 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,2,0,0,0,0|1,0,1]=4 1545 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,2,0,0,0,0|1,0,1]=4 1546 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,2,0,0,0,0|1,0,1]=4 1547 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,2,0,0,0,0|1,0,1]=4 1548 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,2,0,0,0,0|1,0,1]=4 1549 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,2,0,0,0,0|1,0,1]=4 1550 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,2,0,0,0,0|1,0,1]=4 1551 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,2,0,0,0,0|1,0,1]=4 1552 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,2,0,0,0,0|1,0,1]=4 1553 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,2,0,0,0,0|1,0,1]=4 1554 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,2,0,0,0,0|0,0,2]=4 1555 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,2,0,0,0,0|0,0,2]=4 1556 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,2,0,0,0,0|0,0,2]=4 1557 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,2,0,0,0,0|1,0,1]=4 1558 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,2,0,0,0,0|1,0,1]=4 1559 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,2,0,0,0,0|1,0,1]=4 1560 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,2,0,0,0,0|1,0,1]=4 1561 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,2,0,0,0,0|1,0,1]=4 1562 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,2,0,0,0,0|1,0,1]=4 1563 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,2,0,0,0,0|1,0,1]=4 1564 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,2,0,0,0,0|1,0,1]=4 1565 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,2,0,0,0,0|1,0,1]=4 1566 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,2,0,0,0,0|1,0,1]=4 1567 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [0,2,0,0,0,0|1,0,1]=4 1568 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,2,0,0,0,0|1,0,1]=4 1569 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,2,0,0,0,0|1,0,1]=4 1570 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [0,2,0,0,0,0|1,0,1]=4 1571 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,2,0,0,0,0|1,0,1]=4 1572 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,2,0,0,0,0|1,0,1]=4 1573 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,2,0,0,0,0|1,0,1]=4 1574 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,2,0,0,0,0|1,0,1]=4 1575 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,2,0,0,0,0|1,0,1]=4 1576 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,2,0,0,0,0|1,0,1]=4 1577 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,2,0,0,0,0|0,0,2]=4 1578 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,2,0,0,0,0|0,0,2]=4 1579 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,2,0,0,0,0|0,0,2]=4 1580 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [0,2,0,0,0,0|0,0,2]=4 1581 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [0,2,0,0,0,0|0,0,2]=4 1582 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [0,2,0,0,0,0|0,0,2]=4 1583 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [0,2,0,0,0,0|0,0,2]=4 1584 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [0,2,0,0,0,0|0,0,2]=4 1585 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,2,0,0,0,0|1,0,1]=4 1586 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,2,0,0,0,0|1,0,1]=4 1587 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,2,0,0,0,0|1,0,1]=4 1588 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [0,2,0,0,0,0|0,0,2]=4 1589 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [0,2,0,0,0,0|0,0,2]=4 1590 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [0,2,0,0,0,0|0,0,2]=4 1591 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [0,2,0,0,0,0|0,0,2]=4 1592 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,2,0,0,0,0|0,0,2]=4 1593 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,2,0,0,0,0|0,0,2]=4 1594 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,2,0,0,0,0|0,0,2]=4 1595 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,2,0,0,0,0|0,0,2]=4 1596 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,2,0,0,0,0|0,0,2]=4 1597 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,2,0,0,0,0|1,0,1]=4 1598 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,2,0,0,0,0|1,0,1]=4 1599 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,2,0,0,0,0|1,0,1]=4 1600 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,2,0,0,0,0|1,0,1]=4 1601 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,2,0,0,0,0|1,0,1]=4 1602 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,2,0,0,0,0|1,0,1]=4 1603 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,2,0,0,0,0|1,0,1]=4 1604 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,2,0,0,0,0|1,0,1]=4 1605 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,2,0,0,0,0|1,0,1]=4 1606 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,2,0,0,0,0|1,0,1]=4 1607 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,2,0,0,0,0|1,0,1]=4 1608 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,2,0,0,0,0|1,0,1]=4 1609 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,2,0,0,0,0|1,0,1]=4 1610 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,2,0,0,0,0|1,0,1]=4 1611 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,2,0,0,0,0|1,0,1]=4 1612 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,2,0,0,0,0|1,0,1]=4 1613 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,2,0,0,0,0|0,0,2]=4 1614 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,2,0,0,0,0|0,0,2]=4 1615 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,2,0,0,0,0|0,0,2]=4 1616 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,2,0,0,0,0|0,0,2]=4 1617 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,2,0,0,0,0|0,0,2]=4 1618 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,2,0,0,0,0|0,0,2]=4 1619 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [0,2,0,0,0,0|1,0,1]=4 1620 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [0,2,0,0,0,0|1,0,1]=4 1621 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,2,0,0,0,0|0,0,2]=4 1622 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,2,0,0,0,0|0,0,2]=4 1623 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,2,0,0,0,0|0,0,2]=4 1624 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,2,0,0,0,0|0,0,2]=4 1625 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,2,0,0,0,0|0,0,2]=4 1626 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,2,0,0,0,0|0,0,0]=2 1627 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [0,2,0,0,0,0|1,0,1]=4 1628 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [0,2,0,0,0,0|1,0,1]=4 1629 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [0,2,0,0,0,0|1,0,1]=4 1630 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [0,2,0,0,0,0|1,0,1]=4 1631 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [0,2,0,0,0,0|1,0,1]=4 1632 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [0,2,0,0,0,0|1,0,1]=4 1633 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [0,2,0,0,0,0|1,0,1]=4 1634 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [0,2,0,0,0,0|1,0,1]=4 1635 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,2,0,0,0,0|0,0,2]=4 1636 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,2,0,0,0,0|0,0,2]=4 1637 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [0,2,0,0,0,0|0,0,2]=4 1638 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [0,2,0,0,0,0|0,0,2]=4 1639 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [0,2,0,0,0,0|0,0,2]=4 1640 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [0,2,0,0,0,0|0,0,2]=4 1641 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,2,0,0,0,0|0,0,0]=2 1642 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,2,0,0,0,0|0,0,0]=2 1643 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,2,0,0,0,0|1,0,1]=4 1644 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,2,0,0,0,0|0,0,2]=4 1645 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,2,0,0,0,0|0,0,2]=4 1646 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,2,0,0,0,0|0,0,2]=4 1647 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,2,0,0,0,0|0,0,2]=4 1648 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,2,0,0,0,0|0,0,2]=4 1649 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,2,0,0,0,0|0,0,2]=4 1650 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,2,0,0,0,0|0,0,2]=4 1651 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,2,0,0,0,0|0,0,2]=4 1652 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,2,0,0,0,0|0,0,2]=4 1653 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,2,0,0,0,0|0,0,2]=4 1654 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,2,0,0,0,0|0,0,2]=4 1655 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,2,0,0,0,0|0,0,2]=4 1656 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,2,0,0,0,0|0,0,2]=4 1657 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,2,0,0,0,0|0,0,2]=4 1658 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,2,0,0,0,0|0,0,2]=4 1659 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,2,0,0,0,0|0,0,2]=4 1660 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,2,0,0,0,0|0,0,2]=4 1661 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,2,0,0,0,0|0,0,2]=4 1662 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,2,0,0,0,0|0,0,2]=4 1663 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,2,0,0,0,0|0,0,2]=4 1664 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,2,0,0,0,0|0,0,2]=4 1665 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,2,0,0,0,0|0,0,2]=4 1666 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,2,0,0,0,0|0,0,2]=4 1667 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,2,0,0,0,0|0,0,2]=4 1668 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,2,0,0,0,0|0,0,2]=4 1669 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,2,0,0,0,0|0,0,2]=4 1670 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,2,0,0,0,0|1,0,1]=4 1671 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,2,0,0,0,0|0,0,2]=4 1672 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,2,0,0,0,0|0,0,2]=4 1673 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,2,0,0,0,0|0,0,2]=4 1674 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,2,0,0,0,0|0,0,2]=4 1675 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,2,0,0,0,0|0,0,2]=4 1676 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,2,0,0,0,0|0,0,2]=4 1677 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,2,0,0,0,0|1,0,1]=4 1678 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,2,0,0,0,0|0,0,2]=4 1679 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,2,0,0,0,0|0,0,2]=4 1680 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,2,0,0,0,0|0,0,2]=4 1681 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,2,0,0,0,0|0,0,2]=4 1682 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,2,0,0,0,0|1,0,1]=4 1683 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,2,0,0,0,0|1,0,1]=4 1684 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,2,0,0,0,0|0,0,2]=4 1685 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,2,0,0,0,0|1,0,1]=4 1686 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,2,0,0,0,0|1,0,1]=4 1687 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,2,0,0,0,0|1,0,1]=4 1688 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,2,0,0,0,0|1,0,1]=4 1689 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,2,0,0,0,0|0,0,2]=4 1690 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,2,0,0,0,0|0,0,2]=4 1691 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,2,0,0,0,0|0,0,2]=4 1692 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,2,0,0,0,0|0,0,2]=4 1693 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,2,0,0,0,0|0,0,2]=4 1694 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,2,0,0,0,0|1,0,1]=4 1695 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,2,0,0,0,0|1,0,1]=4 1696 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,2,0,0,0,0|1,0,1]=4 1697 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,2,0,0,0,0|1,0,1]=4 1698 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,2,0,0,0,0|1,0,1]=4 1699 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,2,0,0,0,0|1,0,1]=4 1700 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,2,0,0,0,0|1,0,1]=4 1701 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,2,0,0,0,0|1,0,1]=4 1702 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,2,0,0,0,0|1,0,1]=4 1703 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,2,0,0,0,0|1,0,1]=4 1704 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,2,0,0,0,0|1,0,1]=4 1705 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,2,0,0,0,0|1,0,1]=4 1706 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,2,0,0,0,0|1,0,1]=4 1707 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,2,0,0,0,0|1,0,1]=4 1708 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,2,0,0,0,0|0,0,2]=4 1709 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,2,0,0,0,0|0,0,2]=4 1710 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,2,0,0,0,0|0,0,2]=4 1711 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,2,0,0,0,0|0,0,2]=4 1712 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,2,0,0,0,0|1,0,1]=4 1713 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,2,0,0,0,0|1,0,1]=4 1714 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,2,0,0,0,0|1,0,1]=4 1715 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,2,0,0,0,0|1,0,1]=4 1716 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,2,0,0,0,0|1,0,1]=4 1717 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,2,0,0,0,0|1,0,1]=4 1718 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,2,0,0,0,0|1,0,1]=4 1719 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,2,0,0,0,0|1,0,1]=4 1720 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,2,0,0,0,0|1,0,1]=4 1721 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,2,0,0,0,0|1,0,1]=4 1722 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,2,0,0,0,0|1,0,1]=4 1723 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,2,0,0,0,0|1,0,1]=4 1724 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,2,0,0,0,0|0,0,2]=4 1725 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,2,0,0,0,0|0,0,2]=4 1726 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [0,2,0,0,0,0|1,0,1]=4 1727 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,2,0,0,0,0|0,0,2]=4 1728 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,2,0,0,0,0|0,0,2]=4 1729 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,2,0,0,0,0|0,0,2]=4 1730 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,2,0,0,0,0|1,0,1]=4 1731 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,2,0,0,0,0|1,0,1]=4 1732 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,2,0,0,0,0|1,0,1]=4 1733 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,2,0,0,0,0|1,0,1]=4 1734 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,2,0,0,0,0|0,0,2]=4 1735 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,2,0,0,0,0|0,0,2]=4 1736 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,2,0,0,0,0|0,0,2]=4 1737 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,2,0,0,0,0|0,0,2]=4 1738 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,2,0,0,0,0|1,0,1]=4 1739 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,2,0,0,0,0|1,0,1]=4 1740 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,2,0,0,0,0|1,0,1]=4 1741 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,2,0,0,0,0|1,0,1]=4 1742 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,2,0,0,0,0|1,0,1]=4 1743 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,2,0,0,0,0|1,0,1]=4 1744 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,2,0,0,0,0|1,0,1]=4 1745 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,2,0,0,0,0|1,0,1]=4 1746 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,2,0,0,0,0|1,0,1]=4 1747 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,2,0,0,0,0|1,0,1]=4 1748 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,2,0,0,0,0|1,0,1]=4 1749 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,2,0,0,0,0|1,0,1]=4 1750 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,2,0,0,0,0|1,0,1]=4 1751 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,2,0,0,0,0|2,0,0]=4 1752 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,2,0,0,0,0|1,0,1]=4 1753 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,2,0,0,0,0|1,0,1]=4 1754 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,2,0,0,0,0|1,0,1]=4 1755 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,2,0,0,0,0|1,0,1]=4 1756 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,2,0,0,0,0|0,0,2]=4 1757 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,2,0,0,0,0|0,0,2]=4 1758 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,2,0,0,0,0|1,0,1]=4 1759 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,2,0,0,0,0|1,0,1]=4 1760 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,2,0,0,0,0|1,0,1]=4 1761 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,2,0,0,0,0|1,0,1]=4 1762 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,2,0,0,0,0|1,0,1]=4 1763 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,2,0,0,0,0|1,0,1]=4 1764 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,2,0,0,0,0|1,0,1]=4 1765 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,2,0,0,0,0|1,0,1]=4 1766 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,2,0,0,0,0|1,0,1]=4 1767 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,2,0,0,0,0|1,0,1]=4 1768 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,2,0,0,0,0|1,0,1]=4 1769 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,2,0,0,0,0|1,0,1]=4 1770 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,2,0,0,0,0|1,0,1]=4 1771 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,2,0,0,0,0|2,0,0]=4 1772 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,2,0,0,0,0|1,0,1]=4 1773 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,2,0,0,0,0|1,0,1]=4 1774 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,2,0,0,0,0|1,0,1]=4 1775 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,2,0,0,0,0|1,0,1]=4 1776 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,2,0,0,0,0|1,0,1]=4 1777 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,2,0,0,0,0|1,0,1]=4 1778 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|0,0,2]=4 1779 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,2,0,0,0,0|1,0,1]=4 1780 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,2,0,0,0,0|1,0,1]=4 1781 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,2,0,0,0,0|1,0,1]=4 1782 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,2,0,0,0,0|1,0,1]=4 1783 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,2,0,0,0,0|1,0,1]=4 1784 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,2,0,0,0,0|1,0,1]=4 1785 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,2,0,0,0,0|1,0,1]=4 1786 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,2,0,0,0,0|1,0,1]=4 1787 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,2,0,0,0,0|1,0,1]=4 1788 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,2,0,0,0,0|1,0,1]=4 1789 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,2,0,0,0,0|1,0,1]=4 1790 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,2,0,0,0,0|1,0,1]=4 1791 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,2,0,0,0,0|1,0,1]=4 1792 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,2,0,0,0,0|1,0,1]=4 1793 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,2,0,0,0,0|1,0,1]=4 1794 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,2,0,0,0,0|1,0,1]=4 1795 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,2,0,0,0,0|1,0,1]=4 1796 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,2,0,0,0,0|1,0,1]=4 1797 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,2,0,0,0,0|1,0,1]=4 1798 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,2,0,0,0,0|1,0,1]=4 1799 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,2,0,0,0,0|1,0,1]=4 1800 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,2,0,0,0,0|1,0,1]=4 1801 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,2,0,0,0,0|1,0,1]=4 1802 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,2,0,0,0,0|1,0,1]=4 1803 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,2,0,0,0,0|1,0,1]=4 1804 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,2,0,0,0,0|1,0,1]=4 1805 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,2,0,0,0,0|1,0,1]=4 1806 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,2,0,0,0,0|1,0,1]=4 1807 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,2,0,0,0,0|2,0,0]=4 1808 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,2,0,0,0,0|2,0,0]=4 1809 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,2,0,0,0,0|1,0,1]=4 1810 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,2,0,0,0,0|1,0,1]=4 1811 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,2,0,0,0,0|1,0,1]=4 1812 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,2,0,0,0,0|1,0,1]=4 1813 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,2,0,0,0,0|1,0,1]=4 1814 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,2,0,0,0,0|1,0,1]=4 1815 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,2,0,0,0,0|1,0,1]=4 1816 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,2,0,0,0,0|1,0,1]=4 1817 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [0,2,0,0,0,0|1,0,1]=4 1818 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,2,0,0,0,0|0,0,2]=4 1819 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,2,0,0,0,0|1,0,1]=4 1820 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,2,0,0,0,0|0,0,2]=4 1821 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,2,0,0,0,0|1,0,1]=4 1822 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,2,0,0,0,0|0,0,2]=4 1823 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,2,0,0,0,0|0,0,2]=4 1824 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,2,0,0,0,0|1,0,1]=4 1825 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,2,0,0,0,0|1,0,1]=4 1826 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|1,0,1]=4 1827 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|2,0,0]=4 1828 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|2,0,0]=4 1829 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|2,0,0]=4 1830 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,2,0,0,0,0|1,0,1]=4 1831 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,2,0,0,0,0|2,0,0]=4 1832 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|1,0,1]=4 1833 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|1,0,1]=4 1834 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,2,0,0,0,0|1,0,1]=4 1835 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1836 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1837 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1838 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1839 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|1,0,1]=4 1840 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 1841 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 1842 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 1843 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 1844 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,2,0,0,0,0|1,0,1]=4 1845 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,2,0,0,0,0|1,0,1]=4 1846 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,2,0,0,0,0|1,0,1]=4 1847 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,2,0,0,0,0|1,0,1]=4 1848 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,2,0,0,0,0|1,0,1]=4 1849 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,2,0,0,0,0|1,0,1]=4 1850 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,2,0,0,0,0|1,0,1]=4 1851 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,2,0,0,0,0|1,0,1]=4 1852 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,2,0,0,0,0|2,0,0]=4 1855 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,2,0,0,0,0|2,0,0]=4 1856 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,2,0,0,0,0|2,0,0]=4 1857 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,2,0,0,0,0|2,0,0]=4 1858 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,2,0,0,0,0|2,0,0]=4 1859 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,2,0,0,0,0|2,0,0]=4 1860 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,2,0,0,0,0|2,0,0]=4 1861 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,2,0,0,0,0|1,0,1]=4 1862 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,2,0,0,0,0|1,0,1]=4 1863 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|0,0,2]=4 1864 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|0,0,2]=4 1865 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|0,0,2]=4 1866 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|0,0,2]=4 1867 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|0,0,2]=4 1868 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|0,0,2]=4 1869 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|0,0,2]=4 1870 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|1,0,1]=4 1871 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,2,0,0,0,0|1,0,1]=4 1872 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,2,0,0,0,0|1,0,1]=4 1873 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,2,0,0,0,0|1,0,1]=4 1874 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,2,0,0,0,0|1,0,1]=4 1875 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,2,0,0,0,0|1,0,1]=4 1876 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,2,0,0,0,0|1,0,1]=4 1877 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,2,0,0,0,0|1,0,1]=4 1878 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,2,0,0,0,0|1,0,1]=4 1879 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,2,0,0,0,0|1,0,1]=4 1880 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|1,0,1]=4 1881 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|1,0,1]=4 1882 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,2,0,0,0,0|1,0,1]=4 1883 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,2,0,0,0,0|1,0,1]=4 1884 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,2,0,0,0,0|1,0,1]=4 1885 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,2,0,0,0,0|1,0,1]=4 1886 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,2,0,0,0,0|1,0,1]=4 1887 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,2,0,0,0,0|1,0,1]=4 1888 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|1,0,1]=4 1889 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|1,0,1]=4 1890 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,2,0,0,0,0|1,0,1]=4 1891 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,2,0,0,0,0|1,0,1]=4 1892 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|1,0,1]=4 1893 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,2,0,0,0,0|1,0,1]=4 1894 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,2,0,0,0,0|1,0,1]=4 1895 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,2,0,0,0,0|2,0,0]=4 1896 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,2,0,0,0,0|2,0,0]=4 1897 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,2,0,0,0,0|2,0,0]=4 1898 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,2,0,0,0,0|2,0,0]=4 1899 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,2,0,0,0,0|0,0,2]=4 1900 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,2,0,0,0,0|0,0,2]=4 1901 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,2,0,0,0,0|0,0,1]=3 1902 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,2,0,0,0,0|1,0,1]=4 1903 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,2,0,0,0,0|1,0,1]=4 1904 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,2,0,0,0,0|1,0,1]=4 1905 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,2,0,0,0,0|1,0,1]=4 1906 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,2,0,0,0,0|1,0,1]=4 1907 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,2,0,0,0,0|1,0,0]=3 1908 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,2,0,0,0,0|1,0,0]=3 1909 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,2,0,0,0,0|1,0,0]=3 1910 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,2,0,0,0,0|1,0,0]=3 1911 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,2,0,0,0,0|1,0,0]=3 1912 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,2,0,0,0,0|2,0,0]=4 1914 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,2,0,0,0,0|0,0,2]=4 1915 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,2,0,0,0,0|0,0,2]=4 1916 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,2,0,0,0,0|1,0,1]=4 1917 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,2,0,0,0,0|1,0,1]=4 1918 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,2,0,0,0,0|1,0,1]=4 1919 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,2,0,0,0,0|1,0,1]=4 1920 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,2,0,0,0,0|1,0,1]=4 1921 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,2,0,0,0,0|1,0,1]=4 1922 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,2,0,0,0,0|1,0,1]=4 1923 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,2,0,0,0,0|1,0,1]=4 1924 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,2,0,0,0,0|1,0,1]=4 1925 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,2,0,0,0,0|1,0,1]=4 1926 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,2,0,0,0,0|1,0,1]=4 1927 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,2,0,0,0,0|1,0,1]=4 1928 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,2,0,0,0,0|1,0,1]=4 1929 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,2,0,0,0,0|1,0,1]=4 1930 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,2,0,0,0,0|1,0,1]=4 1931 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,2,0,0,0,0|1,0,1]=4 1932 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,2,0,0,0,0|1,0,1]=4 1933 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,2,0,0,0,0|1,0,1]=4 1934 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,2,0,0,0,0|1,0,1]=4 1935 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,2,0,0,0,0|1,0,1]=4 1936 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,2,0,0,0,0|1,0,1]=4 1937 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,2,0,0,0,0|1,0,1]=4 1938 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,2,0,0,0,0|1,0,1]=4 1939 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,2,0,0,0,0|1,0,1]=4 1940 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,2,0,0,0,0|1,0,1]=4 1941 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,2,0,0,0,0|2,0,0]=4 1942 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,2,0,0,0,0|2,0,0]=4 1943 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,2,0,0,0,0|2,0,0]=4 1944 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,2,0,0,0,0|2,0,0]=4 1945 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,2,0,0,0,0|1,0,1]=4 1946 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,2,0,0,0,0|1,0,1]=4 1947 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,2,0,0,0,0|2,0,0]=4 1948 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,2,0,0,0,0|2,0,0]=4 1949 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,2,0,0,0,0|1,0,1]=4 1950 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,2,0,0,0,0|2,0,0]=4 1951 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,2,0,0,0,0|2,0,0]=4 1952 B8R0.11 C#CC(CC)OCC=O 34a_100000758843_200009817547 [0,2,0,0,0,0|1,0,1]=4 1953 B8R0.11 C#CC(CC)OCC=O 7a_100000758843_200015260668 [0,2,0,0,0,0|1,0,1]=4 1954 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [0,2,0,0,0,0|1,0,1]=4 1955 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [0,2,0,0,0,0|1,0,1]=4 1956 B8R0.11 CCC(CC)NCC=O 2230a_100000199018_200015260668 [0,2,0,0,0,0|1,0,1]=4 1957 B8R0.11 CCC(CC)OCC=O 7a_100000688536_200015260668 [0,2,0,0,0,0|1,0,1]=4 1958 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [0,2,0,0,0,0|1,0,1]=4 1959 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [0,2,0,0,0,0|1,0,1]=4 1960 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [0,2,0,0,0,0|1,0,1]=4 1961 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [0,2,0,0,0,0|1,0,1]=4 1962 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [0,2,0,0,0,0|1,0,1]=4 1963 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,2,0,0,0,0|1,0,1]=4 1964 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|1,0,1]=4 1965 B8R0.25 CCC(C)(C)NCC=O 2230a_100000211385_200015260668 [0,2,0,0,0,0|1,0,1]=4 1966 B8R0.25 CCC(C)(C)OCC=O 7a_100000210230_200015260668 [0,2,0,0,0,0|1,0,1]=4 1967 B8R0.25 CCC(C)(C)SCC=O 62a_100000032637_200015260668 [0,2,0,0,0,0|1,0,1]=4 1968 B8R0.25 CCC(C)(C)SCC=O 62a_200015260668_100000032637 [0,2,0,0,0,0|1,0,1]=4 1969 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,2,0,0,0,0|1,0,1]=4 1970 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,2,0,0,0,0|1,0,1]=4 1971 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|0,0,1]=3 1972 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|0,0,1]=3 1973 B8R0.5 C=C(F)CC(=O)C=CC 1458a_100000210699_100009893438 [0,2,0,0,0,0|1,0,1]=4 1974 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,2,0,0,0,0|1,0,1]=4 1975 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [0,2,0,0,0,0|1,0,1]=4 1976 B8R0.5 C=CCC(=O)C=C(C)Cl 1458a_200042562850_100000210623 [0,2,0,0,0,0|1,0,1]=4 1977 B8R0.5 C=CCC(=O)C=C(C)I 1458a_100025716642_100000210623 [0,2,0,0,0,0|1,0,1]=4 1978 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,2,0,0,0,0|1,0,1]=4 1979 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,2,0,0,0,0|1,0,1]=4 1980 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,2,0,0,0,0|1,0,1]=4 1981 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,2,0,0,0,0|1,0,1]=4 1982 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,2,0,0,0,0|2,0,0]=4 1984 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,2,0,0,0,0|2,0,0]=4 1985 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,2,0,0,0,0|2,0,0]=4 1986 B8R0.5 CC#CC(=O)CC(=O)N 1458a_100000763181_100000187820 [0,2,0,0,0,0|0,0,2]=4 1987 B8R0.5 CC#CC(=O)CC(=O)[O-] 1458a_100000763181_100020667443 [0,2,0,0,0,0|0,0,2]=4 1988 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,2,0,0,0,0|2,0,0]=4 1989 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [0,2,0,0,0,0|1,0,1]=4 1990 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [0,2,0,0,0,0|1,0,1]=4 1991 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [0,2,0,0,0,0|1,0,1]=4 1992 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [0,2,0,0,0,0|1,0,1]=4 1993 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,2,0,0,0,0|0,0,1]=3 1994 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,2,0,0,0,0|0,0,1]=3 1995 B8R0.5 CC=CC(=O)C[N+](=O)[O-] 1458a_100000210699_100000761209 [0,2,0,0,0,0|1,0,1]=4 1996 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,2,0,0,0,0|0,0,2]=4 1997 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,2,0,0,0,0|0,0,2]=4 1998 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|0,0,1]=3 1999 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|0,0,1]=3 2000 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|0,0,1]=3 2001 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,2,0,0,0,0|0,0,1]=3 2002 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,2,0,0,0,0|1,0,1]=4 2003 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|0,0,2]=4 2004 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|0,0,2]=4 2005 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|0,0,2]=4 2006 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,2,0,0,0,0|1,0,1]=4 2007 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,2,0,0,0,0|1,0,1]=4 2008 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,2,0,0,0,0|1,0,1]=4 2009 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|1,0,1]=4 2010 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,2,0,0,0,0|1,0,1]=4 2011 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,2,0,0,0,0|1,0,1]=4 2012 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,2,0,0,0,0|1,0,1]=4 2013 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|1,0,0]=3 2014 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,2,0,0,0,0|1,0,0]=3 2015 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,2,0,0,0,0|1,0,0]=3 2016 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|1,0,0]=3 2017 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|1,0,0]=3 2018 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|1,0,0]=3 2019 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,2,0,0,0,0|1,0,1]=4 2020 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,2,0,0,0,0|1,0,1]=4 2021 B8R0.5 CNNC(=O)CC(=O)N 22a_100016993582_100134613110 [0,2,0,0,0,0|2,0,0]=4 2022 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,2,0,0,0,0|1,0,1]=4 2023 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,2,0,0,0,0|1,0,1]=4 2024 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,2,0,0,0,0|1,0,1]=4 2025 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,2,0,0,0,0|1,0,1]=4 2026 B8R0.5 NC(=O)CC(=O)C=CBr 1458a_100016273825_100000187820 [0,2,0,0,0,0|1,0,1]=4 2027 B8R0.5 NC(=O)CC(=O)C=CCl 1458a_200016279998_100000187820 [0,2,0,0,0,0|1,0,1]=4 2028 B8R0.5 NC(=O)CC(=O)C=CI 1458a_100016256311_100000187820 [0,2,0,0,0,0|1,0,1]=4 2029 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,2,0,0,0,0|1,0,1]=4 2030 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,2,0,0,0,0|1,0,1]=4 2031 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,2,0,0,0,0|1,0,1]=4 2032 B8R0.5 O=C([O-])CC(=O)C=CBr 1458a_100016273825_100020667443 [0,2,0,0,0,0|1,0,1]=4 2033 B8R0.5 O=C([O-])CC(=O)C=CCl 1458a_200016279998_100020667443 [0,2,0,0,0,0|1,0,1]=4 2034 B8R0.5 O=C([O-])CC(=O)C=CI 1458a_100016256311_100020667443 [0,2,0,0,0,0|1,0,1]=4 2035 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,2,0,0,0,0|1,0,1]=4 2036 B8R0.21 CC(C)(C)CNCC=O 2230a_100000743828_200015260668 [0,2,0,0,0,0|1,0,1]=4 2037 B8R0.21 CC(C)(C)CSCC=O 62a_100011219605_200015260668 [0,2,0,0,0,0|1,0,1]=4 2038 B8R0.21 CC(C)(C)CSCC=O 62a_200015260668_100011219605 [0,2,0,0,0,0|1,0,1]=4 2039 B8R0.21 CC(C)(F)CNCC=O 2230a_100020643315_200015260668 [0,2,0,0,0,0|1,0,1]=4 2040 B8R0.21 CC(C)(F)COCC=O 34a_100000716592_200009817547 [0,2,0,0,0,0|1,0,1]=4 2041 B8R0.21 CC(C)(F)CSCC=O 62a_100011997219_200015260668 [0,2,0,0,0,0|1,0,1]=4 2042 B8R0.21 CC(C)(F)CSCC=O 62a_200015260668_100011997219 [0,2,0,0,0,0|1,0,1]=4 2043 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [0,2,0,0,0,0|1,0,1]=4 2044 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [0,2,0,0,0,0|1,0,1]=4 2045 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [0,2,0,0,0,0|1,0,1]=4 2046 B8R0.21 CC(F)(F)COCC=O 34a_100000068830_200009817547 [0,2,0,0,0,0|1,0,1]=4 2047 B8R0.28 CC(=O)C/C=C/B(O)O 1458a_100000070787_100016262062 [0,2,0,0,0,0|2,0,0]=4 2048 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,2,0,0,0,0|0,0,0]=2 2049 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,2,0,0,0,0|0,0,2]=4 2050 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,2,0,0,0,0|0,0,2]=4 2051 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,2,0,0,0,0|0,0,2]=4 2052 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,2,0,0,0,0|0,0,2]=4 2053 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,2,0,0,0,0|1,0,1]=4 2054 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,2,0,0,0,0|1,0,1]=4 2055 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,2,0,0,0,0|1,0,1]=4 2056 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,2,0,0,0,0|1,0,1]=4 2057 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,2,0,0,0,0|1,0,1]=4 2058 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,2,0,0,0,0|1,0,1]=4 2059 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,2,0,0,0,0|1,0,1]=4 2060 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,2,0,0,0,0|1,0,1]=4 2061 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,2,0,0,0,0|1,0,1]=4 2062 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,2,0,0,0,0|1,0,1]=4 2063 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,2,0,0,0,0|2,0,0]=4 2064 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,2,0,0,0,0|1,0,1]=4 2065 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,2,0,0,0,0|1,0,1]=4 2066 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,2,0,0,0,0|0,0,0]=2 2067 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,2,0,0,0,0|0,0,2]=4 2068 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,2,0,0,0,0|1,0,1]=4 2069 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,2,0,0,0,0|1,0,1]=4 2070 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,2,0,0,0,0|1,0,1]=4 2071 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,2,0,0,0,0|1,0,1]=4 2072 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,2,0,0,0,0|1,0,1]=4 2073 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,2,0,0,0,0|1,0,1]=4 2074 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,2,0,0,0,0|1,0,1]=4 2075 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,2,0,0,0,0|1,0,1]=4 2076 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,2,0,0,0,0|1,0,1]=4 2077 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,2,0,0,0,0|1,0,1]=4 2078 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,2,0,0,0,0|1,0,1]=4 2079 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,2,0,0,0,0|1,0,1]=4 2080 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,2,0,0,0,0|1,0,1]=4 2081 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,2,0,0,0,0|1,0,1]=4 2082 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,2,0,0,0,0|2,0,0]=4 2083 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,2,0,0,0,0|1,0,1]=4 2084 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,2,0,0,0,0|1,0,1]=4 2085 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,2,0,0,0,0|1,0,1]=4 2086 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,2,0,0,0,0|1,0,1]=4 2087 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,2,0,0,0,0|1,0,1]=4 2088 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,2,0,0,0,0|1,0,1]=4 2089 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,2,0,0,0,0|1,0,1]=4 2090 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,2,0,0,0,0|1,0,1]=4 2091 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,2,0,0,0,0|1,0,1]=4 2092 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,2,0,0,0,0|1,0,1]=4 2093 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,2,0,0,0,0|1,0,1]=4 2094 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,2,0,0,0,0|1,0,1]=4 2095 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,2,0,0,0,0|1,0,1]=4 2096 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,2,0,0,0,0|1,0,1]=4 2097 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,2,0,0,0,0|1,0,1]=4 2098 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,2,0,0,0,0|1,0,1]=4 2099 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,2,0,0,0,0|1,0,1]=4 2100 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,2,0,0,0,0|1,0,1]=4 2101 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,2,0,0,0,0|1,0,1]=4 2102 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,2,0,0,0,0|1,0,1]=4 2103 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,2,0,0,0,0|1,0,1]=4 2104 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,2,0,0,0,0|1,0,1]=4 2105 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,2,0,0,0,0|1,0,1]=4 2106 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,2,0,0,0,0|1,0,1]=4 2107 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,2,0,0,0,0|1,0,1]=4 2108 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,2,0,0,0,0|1,0,1]=4 2109 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,2,0,0,0,0|1,0,1]=4 2110 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,2,0,0,0,0|1,0,1]=4 2111 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,1,0,0|2,0,0]=4 2112 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,1,0,0|2,0,0]=4 2113 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [0,1,0,1,0,0|1,0,1]=4 2114 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [0,1,0,1,0,0|1,0,1]=4 2115 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [0,1,0,1,0,0|1,0,1]=4 2116 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,1,0,1,0,0|1,0,1]=4 2117 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,1,0,1,0,0|1,0,1]=4 2118 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,1,0,1,0,0|1,0,1]=4 2119 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,1,0,1,0,0|0,0,2]=4 2120 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|1,0,1]=4 2121 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|1,0,1]=4 2122 B8R1.2 FCN1CC=CCC1 269982a_100000698166_100015361967 [0,1,0,1,0,0|1,0,1]=4 2123 B8R1.2 FCN1CC=CCC1 34a_100000698166_100015361967 [0,1,0,1,0,0|1,0,1]=4 2124 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,1,0,1,0,0|1,0,1]=4 2125 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,1,0,1,0,0|0,0,2]=4 2126 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|1,0,1]=4 2127 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|1,0,1]=4 2128 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,1,0,1,0,0|2,0,0]=4 2129 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,1,0,1,0,0|2,0,0]=4 2130 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,1,0,1,0,0|2,0,0]=4 2131 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,1,0,1,0,0|2,0,0]=4 2132 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,1,0,1,0,0|0,0,2]=4 2133 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,1,0,1,0,0|0,0,2]=4 2134 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,1,0,1,0,0|0,1,1]=4 2135 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,1,0,1,0,0|0,1,1]=4 2136 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,1,0,1,0,0|2,0,0]=4 2137 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,1,0,1,0,0|2,0,0]=4 2138 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,1,0,1,0,0|2,0,0]=4 2139 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,1,0,1,0,0|2,0,0]=4 2140 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,1,0,1,0,0|1,0,1]=4 2141 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,1,0,1,0,0|1,0,1]=4 2142 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,1,0,1,0,0|1,1,0]=4 2143 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,1,0,1,0,0|1,1,0]=4 2144 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [0,1,0,1,0,0|2,0,0]=4 2145 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [0,1,0,1,0,0|2,0,0]=4 2146 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [0,1,0,1,0,0|2,0,0]=4 2147 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [0,1,0,1,0,0|2,0,0]=4 2148 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,1,0,1,0,0|0,0,2]=4 2149 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,1,0,1,0,0|0,0,2]=4 2150 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,1,0,1,0,0|0,0,2]=4 2151 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,1,0,1,0,0|0,0,2]=4 2152 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,1,0,1,0,0|0,1,1]=4 2153 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,1,0,1,0,0|0,1,1]=4 2154 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,1,0,1,0,0|0,1,1]=4 2155 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,1,0,1,0,0|2,0,0]=4 2156 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,1,0,1,0,0|2,0,0]=4 2157 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,1,0,1,0,0|2,0,0]=4 2158 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,1,0,1,0,0|2,0,0]=4 2159 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,1,0,1,0,0|2,0,0]=4 2160 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,1,0,1,0,0|2,0,0]=4 2161 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,1,0,1,0,0|2,0,0]=4 2162 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,1,0,1,0,0|2,0,0]=4 2163 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,1,0,1,0,0|2,0,0]=4 2164 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,1,0,1,0,0|2,0,0]=4 2165 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,1,0,1,0,0|2,0,0]=4 2166 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [0,1,0,1,0,0|2,0,0]=4 2167 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,1,0,1,0,0|1,0,1]=4 2168 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,1,0,1,0,0|1,1,0]=4 2169 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,1,0,1,0,0|1,1,0]=4 2170 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,1,0,1,0,0|1,1,0]=4 2171 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,1,0,1,0,0|1,1,0]=4 2172 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,1,0,1,0,0|1,1,0]=4 2173 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,1,0,1,0,0|1,1,0]=4 2174 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [0,1,0,1,0,0|2,0,0]=4 2175 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [0,1,0,1,0,0|2,0,0]=4 2176 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [0,1,0,1,0,0|2,0,0]=4 2177 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [0,1,0,1,0,0|2,0,0]=4 2178 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [0,1,0,1,0,0|2,0,0]=4 2179 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [0,1,0,1,0,0|2,0,0]=4 2180 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [0,1,0,1,0,0|2,0,0]=4 2181 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [0,1,0,1,0,0|2,0,0]=4 2182 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,1,0,1,0,0|0,0,2]=4 2183 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,1,0,1,0,0|0,1,1]=4 2184 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,1,0,1,0,0|2,0,0]=4 2185 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,1,0,1,0,0|2,0,0]=4 2186 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,1,0,1,0,0|2,0,0]=4 2187 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,1,0,1,0,0|1,1,0]=4 2188 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [0,1,0,1,0,0|2,0,0]=4 2189 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [0,1,0,1,0,0|2,0,0]=4 2190 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [0,1,0,1,0,0|2,0,0]=4 2191 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,1,0,1,0,0|2,0,0]=4 2192 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,1,0,1,0,0|2,0,0]=4 2193 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,1,0,1,0,0|1,1,0]=4 2194 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,1,0,1,0,0|1,1,0]=4 2195 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [0,1,0,1,0,0|2,0,0]=4 2196 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [0,1,0,1,0,0|2,0,0]=4 2197 B8R1.8 O=CCN1CC=CC1 269982a_100015195280_200015260668 [0,1,0,1,0,0|0,0,2]=4 2198 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,1,0,1,0,0|0,0,2]=4 2199 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,1,0,1,0,0|0,0,2]=4 2200 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,1,0,1,0,0|1,0,1]=4 2201 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,1,0,1,0,0|1,0,1]=4 2202 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,1,0,1,0,0|0,0,2]=4 2203 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,1,0,1,0,0|0,0,2]=4 2204 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,1,0,1,0,0|0,1,1]=4 2205 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,1,0,1,0,0|2,0,0]=4 2206 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,1,0,1,0,0|2,0,0]=4 2207 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,1,0,1,0,0|2,0,0]=4 2208 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,1,0,1,0,0|2,0,0]=4 2209 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,1,0,1,0,0|1,1,0]=4 2210 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [0,1,0,1,0,0|2,0,0]=4 2211 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,1,0,1,0,0|0,0,2]=4 2212 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,1,0,1,0,0|0,1,1]=4 2213 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,1,0,1,0,0|2,0,0]=4 2214 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,1,0,1,0,0|2,0,0]=4 2215 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [0,1,0,1,0,0|2,0,0]=4 2216 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [0,1,0,1,0,0|2,0,0]=4 2217 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,1,0,1,0,0|2,0,0]=4 2218 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,1,0,1,0,0|2,0,0]=4 2219 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,1,0,1,0,0|1,1,0]=4 2220 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,1,0,1,0,0|1,1,0]=4 2221 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [0,1,0,1,0,0|2,0,0]=4 2222 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [0,1,0,1,0,0|2,0,0]=4 2223 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [0,1,0,1,0,0|1,0,1]=4 2224 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [0,1,0,1,0,0|1,0,1]=4 2225 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [0,1,0,1,0,0|1,0,1]=4 2226 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,1,0,1,0,0|0,0,2]=4 2227 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,1,0,1,0,0|0,0,2]=4 2228 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [0,1,0,1,0,0|1,0,1]=4 2229 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,1,0,1,0,0|0,0,2]=4 2230 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [0,1,0,1,0,0|1,0,1]=4 2231 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,1,0,1,0,0|0,0,2]=4 2232 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [0,1,0,1,0,0|1,0,1]=4 2233 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [0,1,0,1,0,0|1,0,1]=4 2234 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [0,1,0,1,0,0|1,0,1]=4 2235 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [0,1,0,1,0,0|1,0,1]=4 2236 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [0,1,0,1,0,0|1,0,1]=4 2237 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [0,1,0,1,0,0|1,0,1]=4 2238 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [0,1,0,1,0,0|1,0,1]=4 2239 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,1,0,0|0,0,2]=4 2240 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,1,0,0|0,0,2]=4 2241 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,1,0,1,0,0|1,0,1]=4 2242 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|0,0,2]=4 2243 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|0,0,2]=4 2244 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|0,0,2]=4 2245 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,0,2]=4 2246 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,0,2]=4 2247 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,0,2]=4 2248 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,0,2]=4 2249 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,0,2]=4 2250 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,0,2]=4 2251 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,0,2]=4 2252 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,1,0,1,0,0|0,0,2]=4 2253 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,1,0,1,0,0|0,0,2]=4 2254 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|0,0,2]=4 2255 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|0,0,2]=4 2256 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|0,0,2]=4 2257 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [0,1,0,1,0,0|0,0,2]=4 2258 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [0,1,0,1,0,0|0,0,2]=4 2259 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [0,1,0,1,0,0|0,0,2]=4 2260 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [0,1,0,1,0,0|1,0,1]=4 2261 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,1,0,1,0,0|0,0,2]=4 2262 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,1,0,1,0,0|0,0,2]=4 2263 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,1,0,1,0,0|1,0,1]=4 2264 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,1,0,1,0,0|1,0,1]=4 2265 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [0,1,0,1,0,0|1,0,1]=4 2266 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [0,1,0,1,0,0|1,0,1]=4 2267 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,1,0,1,0,0|1,0,1]=4 2268 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,1,0,1,0,0|1,0,1]=4 2269 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,1,0,1,0,0|0,1,1]=4 2270 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,1,0,1,0,0|0,0,2]=4 2271 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,1,0,0|2,0,0]=4 2272 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,1,0,0|2,0,0]=4 2273 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,1,0,0|2,0,0]=4 2274 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,1,0,0|2,0,0]=4 2275 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,1,0,0|2,0,0]=4 2276 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,1,0,0|2,0,0]=4 2277 B8R1.41 CC1(CC1)NCC=O 2230a_100000757604_200015260668 [0,1,0,1,0,0|1,0,1]=4 2278 B8R1.41 CC1(CC1)OCC=O 7a_100011725673_200015260668 [0,1,0,1,0,0|1,0,1]=4 2279 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,1,0,1,0,0|2,0,0]=4 2280 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,1,0,1,0,0|2,0,0]=4 2281 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,1,0,1,0,0|2,0,0]=4 2282 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,1,0,1,0,0|2,0,0]=4 2283 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,1,0,1,0,0|2,0,0]=4 2284 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,1,0,1,0,0|2,0,0]=4 2285 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [0,1,0,1,0,0|1,0,1]=4 2286 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [0,1,0,1,0,0|1,0,1]=4 2287 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [0,1,0,1,0,0|1,0,1]=4 2288 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,1,0,1,0,0|1,0,1]=4 2289 B8R1.6 O=CCN1CC(C1)F 2230a_100000690557_200015260668 [0,1,0,1,0,0|1,0,1]=4 2290 B8R1.6 O=CCN1CC(C1)F 269982a_100000690557_200015260668 [0,1,0,1,0,0|1,0,1]=4 2291 B8R1.6 O=CCN1CC(C1)F 34a_100000690557_200009817547 [0,1,0,1,0,0|1,0,1]=4 2292 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [0,1,0,1,0,0|1,0,1]=4 2293 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|0,0,2]=4 2294 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,1,0,1,0,0|1,0,1]=4 2295 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|0,0,2]=4 2296 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|0,0,2]=4 2297 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|0,0,2]=4 2298 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|1,0,1]=4 2299 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,1,0,1,0,0|1,0,1]=4 2300 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,1,0,1,0,0|1,0,1]=4 2301 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|1,0,1]=4 2302 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|0,0,2]=4 2303 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,1,0,1,0,0|1,0,1]=4 2304 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|0,0,2]=4 2305 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|0,0,2]=4 2306 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|1,0,1]=4 2307 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,1,0,1,0,0|1,0,1]=4 2308 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|1,0,1]=4 2309 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,1,0,1,0,0|0,0,2]=4 2310 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,1,0,0|0,0,2]=4 2311 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,1,0,0|0,0,2]=4 2312 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,1,0,1,0,0|1,0,1]=4 2313 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,1,0,1,0,0|1,0,1]=4 2314 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,1,0,1,0,0|1,0,1]=4 2315 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,1,0,1,0,0|0,0,2]=4 2316 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,1,0,0|0,0,2]=4 2317 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,1,0,1,0,0|0,0,2]=4 2318 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,1,0,1,0,0|0,0,2]=4 2319 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,1,0,1,0,0|0,0,2]=4 2320 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,1,0,1,0,0|1,0,1]=4 2321 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,1,0,1,0,0|1,0,1]=4 2322 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,1,0,1,0,0|1,0,1]=4 2323 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,1,0,1,0,0|1,0,1]=4 2324 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,1,0,1,0,0|1,0,1]=4 2325 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,1,0,1,0,0|1,0,1]=4 2326 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,1,0,1,0,0|0,0,2]=4 2327 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,1,0,1,0,0|0,0,2]=4 2328 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|0,0,2]=4 2329 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|0,0,2]=4 2330 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,1,0,1,0,0|1,0,1]=4 2331 B8R1.37 CN(CC=O)C1CC1 2230a_100000226674_200015260668 [0,1,0,1,0,0|1,0,1]=4 2332 B8R1.37 CN(CC=O)C1CC1 269982a_100000226674_200015260668 [0,1,0,1,0,0|1,0,1]=4