0 B6R0.6 C#CCNCC#C 34a_100000212058_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCNCC=C 2230a_100020586998_100000038162 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCNCC=C 34a_100000212058_100015514636 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C#CCNCCF 34a_100000212058_100011217306 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 C#CCNCCF 34a_100000724931_100000184674 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [0,0,0,0,0,0|1,0,1]=2 10 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 C#CCOCCBr 34a_100000211926_100000184674 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 C#CCOCCF 34a_100000210247_100011217306 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.6 C=CCNCC#N 2230a_100020586998_100011215382 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,0,0,0,0,0|1,0,3]=4 23 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,0,0,0,0,0|1,0,1]=2 28 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,0,0,0,0|4,0,0]=4 47 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,0,0,0,0|4,0,0]=4 48 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,0,0,0,0|4,0,0]=4 56 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,0,0,0,0|4,0,0]=4 57 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,0,0,0,0|4,0,0]=4 58 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,0,0,0,0|4,0,0]=4 61 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,0,0,0,0|4,0,0]=4 62 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,0,0,0,0,0|4,0,0]=4 63 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,0,0,0,0|4,0,0]=4 64 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,0,0,0,0|4,0,0]=4 65 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,0,0,0,0|4,0,0]=4 66 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,0,0,0,0,0|4,0,0]=4 67 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,0,0,0,0,0|4,0,0]=4 68 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,0,0,0,0|4,0,0]=4 69 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,0,0,0,0|4,0,0]=4 70 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,0,0,0,0,0|4,0,0]=4 71 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,0,0,0,0,0|4,0,0]=4 72 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,0,0,0,0|2,0,0]=2 73 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,0,0,0,0|1,0,0]=1 74 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,0,0,0,0|1,0,0]=1 75 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,0,0,0,0|3,0,0]=3 77 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,0,0,0,0|3,0,0]=3 78 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,0,0,0,0|3,0,0]=3 79 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,0,0,0,0|3,0,0]=3 80 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,0,0,0,0|2,0,0]=2 81 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,0,0,0,0|4,0,0]=4 82 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,0,0,0,0|2,0,2]=4 85 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,0,0,0,0|3,0,0]=3 87 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,0,0,0,0|3,0,0]=3 88 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,0,0,0,0|3,0,0]=3 89 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,0,0,0,0|2,0,0]=2 90 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,0,0,0,0|2,0,0]=2 91 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,0,0,0,0|4,0,0]=4 92 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,0,0,0,0|4,0,0]=4 93 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,0,0,0,0|4,0,0]=4 94 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,0,0,0,0|4,0,0]=4 95 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,0,0,0,0|4,0,0]=4 96 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,0,0,0,0|4,0,0]=4 97 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,0,0,0,0|4,0,0]=4 98 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,0,0,0,0|3,0,0]=3 99 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,0,0,0,0|4,0,0]=4 100 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,0,0,0,0|4,0,0]=4 101 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,0,0,0,0|4,0,0]=4 102 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,0,0,0,0|4,0,0]=4 103 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,0,0,0,0|4,0,0]=4 104 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,0,0,0,0|3,0,0]=3 105 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,0,0,0,0|4,0,0]=4 106 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,0,0,0,0|4,0,0]=4 107 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,0,0,0,0|3,0,0]=3 108 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,0,0,0,0|3,0,0]=3 109 B6R0.6 CNCC#CCO 2230a_106832991635_200000047223 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.6 CNCC#CCO 34a_100102657272_200000047223 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.6 CNCC#CCO 7a_106832991635_200000047223 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,0,0,0,0|4,0,0]=4 113 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,0,0,0,0|4,0,0]=4 114 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,0,0,0,0|4,0,0]=4 115 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,0,0,0,0|3,0,0]=3 116 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,0,0,0,0|3,0,0]=3 117 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,0,0,0,0|3,0,0]=3 118 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,0,0,0,0|3,0,0]=3 119 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,0,0,0,0|3,0,0]=3 120 B6R0.6 COCC#CCO 34a_100138415774_200000047223 [0,0,0,0,0,0|3,0,1]=4 121 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,0,0,0,0|4,0,0]=4 122 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,0,0,0,0|4,0,0]=4 123 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,0,0,0,0|4,0,0]=4 124 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,0,0,0,0|4,0,0]=4 125 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,0,0,0,0|4,0,0]=4 126 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,0,0,0,0|4,0,0]=4 127 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,0,0,0,0|4,0,0]=4 128 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,0,0,0,0|4,0,0]=4 129 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,0,0,0,0|3,0,0]=3 130 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,0,0,0,0,0|2,0,0]=2 131 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,0,0,0,0,0|4,0,0]=4 132 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,0,0,0,0,0|4,0,0]=4 133 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,0,0,0,0,0|3,0,0]=3 134 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,0,0,0,0,0|3,0,0]=3 135 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [0,0,0,0,0,0|3,0,1]=4 136 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [0,0,0,0,0,0|3,0,1]=4 137 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,0,0,0,0|4,0,0]=4 138 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,0,0,0,0|4,0,0]=4 139 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,0,0,0,0|3,0,0]=3 140 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,0,0,0,0|3,0,0]=3 141 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,0,0,0,0,0|3,0,0]=3 142 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,0,0,0,0,0|2,0,0]=2 143 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,0,0,0,0,0|2,0,0]=2 144 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,0,0,0,0,0|4,0,0]=4 145 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,0,0,0,0,0|4,0,0]=4 146 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,0,0,0,0,0|4,0,0]=4 147 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,0,0,0,0,0|4,0,0]=4 148 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,0,0,0,0,0|3,0,0]=3 149 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,0,0,0,0,0|3,0,0]=3 150 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,0,0,0,0,0|4,0,0]=4 151 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,0,0,0,0,0|4,0,0]=4 152 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,0,0,0,0,0|4,0,0]=4 153 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,0,0,0,0,0|4,0,0]=4 154 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,0,0,0,0,0|2,0,0]=2 155 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,0,0,0,0,0|3,0,0]=3 156 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,0,0,0,0,0|3,0,0]=3 157 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,0,0,0,0,0|4,0,0]=4 158 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,0,0,0,0,0|4,0,0]=4 159 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [0,0,0,0,0,0|1,0,1]=2 160 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [0,0,0,0,0,0|3,0,1]=4 161 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [0,0,0,0,0,0|3,0,1]=4 162 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,0,0,0,0,0|2,0,1]=3 163 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,0,0,0,0,0|2,0,1]=3 164 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,0,0,0,0,0|4,0,0]=4 165 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,0,0,0,0|2,0,2]=4 166 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,0,0,0,0,0|3,0,0]=3 167 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,0,0,0,0,0|2,0,0]=2 168 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,0,0,0,0,0|1,0,2]=3 169 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,0,0,0,0|0,0,2]=2 170 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,0,0,0,0|0,0,2]=2 171 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,0,0,0,0,0|2,0,2]=4 172 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,0,0,0,0,0|2,0,2]=4 173 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,0,0,0,0,0|2,0,2]=4 174 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,0,0,0,0|1,0,2]=3 175 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,0,0,0,0|1,0,2]=3 176 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,0,0,0,0,0|3,0,0]=3 177 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,0,0,0,0,0|3,0,0]=3 178 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,0,0,0,0,0|1,0,0]=1 179 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,0,0,0,0,0|1,0,0]=1 180 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,0,0,0,0,0|1,0,0]=1 181 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,0,0,0,0,0|0,0,0]=0 182 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,0,0,0,0,0|0,0,0]=0 183 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,0,0,0,0,0|2,0,0]=2 184 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,0,0,0,0,0|2,0,0]=2 185 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,0,0,0,0,0|2,0,0]=2 186 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,0,0,0,0,0|1,0,0]=1 187 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,0,0,0,0|3,0,0]=3 188 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,0,0,0,0|3,0,0]=3 189 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,0,0,0,0|4,0,0]=4 190 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,0,0,0,0|4,0,0]=4 191 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,0,0,0,0|4,0,0]=4 192 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,0,0,0,0|4,0,0]=4 193 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,0,0,0,0|4,0,0]=4 194 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,0,0,0,0|4,0,0]=4 195 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,0,0,0,0|4,0,0]=4 196 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [0,0,0,0,0,0|3,0,1]=4 197 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [0,0,0,0,0,0|3,0,1]=4 198 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,0,0,0,0|4,0,0]=4 199 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,0,0,0,0|4,0,0]=4 200 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,0,0,0,0|3,0,0]=3 201 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,0,0,0,0|3,0,0]=3 202 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|1,0,1]=3 203 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|1,0,1]=3 204 B5R0.2 C#CCNCF 34a_100000212058_100015361967 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|1,0,1]=3 209 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|1,0,1]=3 210 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|3,0,0]=4 216 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|3,0,0]=4 219 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|3,0,0]=4 220 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|3,0,0]=4 221 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|3,0,0]=4 222 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|3,0,0]=4 223 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|3,0,0]=4 224 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|3,0,0]=4 225 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|3,0,0]=4 226 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|3,0,0]=4 227 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|3,0,0]=4 228 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|3,0,0]=4 229 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|3,0,0]=4 230 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|3,0,0]=4 231 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|1,0,0]=2 232 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|2,0,0]=3 233 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|2,0,0]=3 234 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|3,0,0]=4 235 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|2,0,0]=3 236 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|2,0,0]=3 237 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|3,0,0]=4 238 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|3,0,0]=4 239 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|1,0,1]=3 240 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|0,0,2]=3 241 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|1,0,0]=2 242 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|1,0,0]=2 243 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|0,0,0]=1 244 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|0,0,0]=1 245 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|0,0,0]=1 246 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|2,0,0]=3 247 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|2,0,0]=3 248 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,2]=4 249 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|2,0,0]=3 250 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|2,0,0]=3 251 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,0,0]=3 252 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|1,0,0]=2 253 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|3,0,0]=4 254 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|3,0,0]=4 255 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|3,0,0]=4 256 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|3,0,0]=4 257 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,0,0,0,0,0|2,0,1]=4 260 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,0,2]=4 261 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,0,2]=4 262 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|2,0,0]=3 263 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|2,0,0]=3 264 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|1,0,0]=2 265 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|1,0,0]=2 266 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|3,0,0]=4 267 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|3,0,0]=4 268 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|3,0,0]=4 269 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|3,0,0]=4 270 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|3,0,0]=4 271 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|3,0,0]=4 272 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|3,0,0]=4 273 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|3,0,0]=4 274 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|3,0,0]=4 275 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|2,0,0]=3 276 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|2,0,0]=3 277 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|2,0,0]=3 278 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|3,0,0]=4 279 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|3,0,0]=4 280 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|3,0,0]=4 282 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|3,0,0]=4 283 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|2,0,0]=3 284 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|3,0,0]=4 286 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|2,0,0]=3 287 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|2,0,0]=3 288 B5R0.2 FCCNCF 34a_100000724931_100015361967 [1,0,0,0,0,0|2,0,0]=3 289 B5R0.2 FCCSCF 62a_100011217306_100015361967 [1,0,0,0,0,0|3,0,0]=4 290 B5R0.2 FCCSCF 62a_100015361967_100011217306 [1,0,0,0,0,0|3,0,0]=4 291 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,0,0,0,0,0|3,0,0]=4 292 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,0,0,0,0|3,0,0]=4 293 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,0,0,0,0|1,0,0]=2 294 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,0,0,0,0,0|2,0,0]=3 295 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,0,0,0,0,0|2,0,0]=3 296 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|3,0,0]=4 297 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|3,0,0]=4 298 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|3,0,0]=4 299 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|3,0,0]=4 300 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|3,0,0]=4 302 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|3,0,0]=4 304 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|2,0,0]=3 305 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|2,0,0]=3 306 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,1,0,0,0,0|2,0,1]=4 309 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,1,0,0,0,0|2,0,1]=4 310 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,1,0,0,0,0|2,0,1]=4 311 B7R0.1 C#CCCNCC#C 34a_100000212058_100000688953 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.1 C#CCCNCC#C 34a_100000755551_100000184674 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.1 C#CCCNCC=C 2230a_100020586998_100000688953 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.1 C#CCCNCC=C 34a_100000755551_100015514636 [0,1,0,0,0,0|2,0,1]=4 315 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [0,1,0,0,0,0|1,0,2]=4 316 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,1,0,0,0,0|2,0,0]=3 317 B7R0.1 C#CCCNCCF 34a_100000724931_100000688953 [0,1,0,0,0,0|2,0,0]=3 318 B7R0.1 C#CCCNCCF 34a_100000755551_100011217306 [0,1,0,0,0,0|2,0,0]=3 319 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [0,1,0,0,0,0|1,0,0]=2 320 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [0,1,0,0,0,0|1,0,0]=2 321 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [0,1,0,0,0,0|1,0,0]=2 322 B7R0.1 C#CCCNCSC 34a_100000755551_100011218213 [0,1,0,0,0,0|3,0,0]=4 323 B7R0.1 C#CCCOCCBr 34a_100000211926_100000688953 [0,1,0,0,0,0|3,0,0]=4 324 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,1,0,0,0,0|3,0,0]=4 325 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,1,0,0,0,0|3,0,0]=4 326 B7R0.1 C#CCCOCCF 34a_100011215631_100011217306 [0,1,0,0,0,0|3,0,0]=4 327 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [0,1,0,0,0,0|3,0,0]=4 328 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [0,1,0,0,0,0|2,0,0]=3 329 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,1,0,0,0,0|3,0,0]=4 330 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,1,0,0,0,0|3,0,0]=4 331 B7R0.1 C#CCCSCCF 62a_100000688953_100011217306 [0,1,0,0,0,0|3,0,0]=4 332 B7R0.1 C#CCCSCCF 62a_100011217306_100000688953 [0,1,0,0,0,0|3,0,0]=4 333 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,1,0,0,0,0|2,0,0]=3 334 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,1,0,0,0,0|2,0,0]=3 335 B7R0.1 C#CCNCCC=C 2230a_100015191253_100000038162 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.1 C#CCNCCC=C 34a_100000212058_100000754431 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.1 C#CCNCCCF 2230a_100015189416_100000038162 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.1 C#CCNCCCF 34a_100000212058_100011934791 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.1 C#CCNCCCF 34a_100015189416_100000184674 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [0,1,0,0,0,0|1,0,1]=3 344 B7R0.1 C#CCNCCOC 2230a_100000209980_100000038162 [0,1,0,0,0,0|1,0,1]=3 345 B7R0.1 C#CCNCCOC 34a_100000212058_100011201679 [0,1,0,0,0,0|1,0,1]=3 346 B7R0.1 C#CCNCCSC 2230a_100020590264_100000038162 [0,1,0,0,0,0|1,1,1]=4 347 B7R0.1 C#CCNCCSC 34a_100000212058_100000212216 [0,1,0,0,0,0|1,1,1]=4 348 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [0,1,0,0,0,0|2,0,1]=4 349 B7R0.1 C#CCOCCOC 34a_100000054580_200000210301 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.1 C#CCOCCOC 34a_100000210237_100000184674 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.1 C#CCOCCOC 34a_100000210247_100011201679 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.1 C#CCOCCOC 34a_100138415774_100010402529 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.1 C#CCOCCOC 7a_100000054580_200000210301 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.1 C#CCOCCON 34a_100000700252_100000184674 [0,1,0,0,0,0|2,0,1]=4 355 B7R0.1 C#CCOCCO[13CH3] 34a_100000054580_200025704644 [0,1,0,0,0,0|2,0,1]=4 356 B7R0.1 C#CCOCCO[13CH3] 7a_100000054580_200025704644 [0,1,0,0,0,0|2,0,1]=4 357 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.1 C#CCSCCOC 62a_100000038162_100000233755 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [0,1,0,0,0,0|2,0,1]=4 360 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [0,1,0,0,0,0|1,0,1]=3 361 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,1,0,0,0,0|2,0,1]=4 363 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.1 C=CCCNCC#N 2230a_100015191253_100011215382 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,1,0,0,0,0|1,0,2]=4 373 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,0,0,0,0|2,0,0]=3 374 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,1,0,0,0,0|2,0,0]=3 375 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,1,0,0,0,0|2,0,0]=3 376 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,0,0,0,0|1,0,0]=2 377 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,0,0,0,0|1,0,0]=2 378 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,0,0,0,0|1,0,0]=2 379 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,1,0,0,0,0|3,0,0]=4 380 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,1,0,0,0,0|3,0,0]=4 381 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,1,0,0,0,0|3,0,0]=4 382 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,0,0,0,0|3,0,0]=4 383 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,0,0,0,0|3,0,0]=4 384 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,1,0,0,0,0|3,0,0]=4 385 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,0,0,0,0|3,0,0]=4 386 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,1,0,0,0,0|2,0,0]=3 387 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,0,0,0,0|3,0,0]=4 388 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,0,0,0,0|3,0,0]=4 389 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,1,0,0,0,0|3,0,0]=4 390 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,1,0,0,0,0|3,0,0]=4 391 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,1,0,0,0,0|2,0,0]=3 392 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,1,0,0,0,0|2,0,0]=3 393 B7R0.1 C=CCNCCC#N 2230a_100020586998_100011215226 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,0,0,0,0|2,0,1]=4 396 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,0,0,0,0|2,0,1]=4 397 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,1,0,0,0,0|2,0,1]=4 398 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,1,0,0,0,0|2,0,1]=4 399 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,1,0,0,0,0|1,0,1]=3 401 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,1,0,0,0,0|1,0,1]=3 402 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,1,0,0,0,0|1,0,1]=3 403 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,1,0,0,0,0|1,1,1]=4 404 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,1,0,0,0,0|1,1,1]=4 405 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,1,0,0,0,0|2,0,1]=4 409 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,1,0,0,0,0|2,0,1]=4 410 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,1,0,0,0,0|2,0,1]=4 411 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,1,0,0,0,0|2,0,1]=4 413 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,1,0,0,0,0|2,0,1]=4 414 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,1,0,0,0,0|2,0,1]=4 415 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.1 CC#CCNCCF 2230a_100000685387_100011217306 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.1 CC#CCNCCF 34a_100000685387_100011217306 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.1 CC#CCNCCF 34a_100000724931_100000748600 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [0,1,0,0,0,0|1,0,1]=3 423 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [0,1,0,0,0,0|1,0,1]=3 424 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [0,1,0,0,0,0|1,0,1]=3 425 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [0,1,0,0,0,0|1,0,1]=3 426 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,1,0,0,0,0|2,0,1]=4 430 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,1,0,0,0,0|2,0,1]=4 431 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [0,1,0,0,0,0|1,0,1]=3 436 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [0,1,0,0,0,0|1,0,1]=3 437 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [0,1,0,0,0,0|2,0,1]=4 442 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,1,0,0,0,0|2,0,1]=4 446 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,1,0,0,0,0|2,0,1]=4 448 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,1,0,0,0,0|1,0,1]=3 449 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,1,0,0,0,0|2,0,1]=4 450 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,1,0,0,0,0|2,0,1]=4 452 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,1,0,0,0,0|3,0,0]=4 454 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,1,0,0,0,0|3,0,0]=4 455 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,1,0,0,0,0|3,0,0]=4 456 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,1,0,0,0,0|2,0,0]=3 459 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,1,0,0,0,0|2,0,0]=3 460 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,1,0,0,0,0|2,0,0]=3 461 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,1,0,0,0,0|2,0,0]=3 462 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,1,0,0,0,0|2,0,0]=3 463 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,1,0,0,0,0|2,1,0]=4 464 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,1,0,0,0,0|2,1,0]=4 465 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,1,0,0,0,0|2,1,0]=4 466 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,1,0,0,0,0|2,1,0]=4 467 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,1,0,0,0,0|3,0,0]=4 468 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,1,0,0,0,0|3,0,0]=4 469 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,0,0,0,0|3,0,0]=4 470 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,0,0,0,0|3,0,0]=4 471 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,0,0,0,0|3,0,0]=4 472 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,1,0,0,0,0|3,0,0]=4 473 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,1,0,0,0,0|3,0,0]=4 474 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,1,0,0,0,0|3,0,0]=4 475 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,1,0,0,0,0|3,0,0]=4 476 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,1,0,0,0,0|3,0,0]=4 477 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,1,0,0,0,0|3,0,0]=4 478 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,1,0,0,0,0|2,0,1]=4 480 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,0,0,0,0|1,0,2]=4 481 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,0,0,0,0|1,0,2]=4 482 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,1,0,0,0,0|2,0,0]=3 483 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,1,0,0,0,0|2,0,0]=3 484 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,1,0,0,0,0|2,0,0]=3 485 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,1,0,0,0,0|2,0,0]=3 486 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,1,0,0,0,0|2,0,0]=3 487 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,1,0,0,0,0|1,0,0]=2 488 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,1,0,0,0,0|1,0,0]=2 489 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,1,0,0,0,0|1,0,0]=2 490 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,1,0,0,0,0|1,0,0]=2 491 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,1,0,0,0,0|3,0,0]=4 492 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,1,0,0,0,0|3,0,0]=4 493 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,1,0,0,0,0|3,0,0]=4 494 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,0,0,0,0|3,0,0]=4 495 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,0,0,0,0|3,0,0]=4 496 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,0,0,0,0|3,0,0]=4 497 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,1,0,0,0,0|3,0,0]=4 498 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,1,0,0,0,0|2,0,0]=3 501 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,1,0,0,0,0|2,0,0]=3 502 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,1,0,0,0,0|3,0,0]=4 503 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,1,0,0,0,0|3,0,0]=4 504 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,1,0,0,0,0|3,0,0]=4 505 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,1,0,0,0,0|3,0,0]=4 506 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,1,0,0,0,0|3,0,0]=4 507 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,1,0,0,0,0|2,0,0]=3 508 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,1,0,0,0,0|2,0,0]=3 509 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,1,0,0,0,0|3,0,0]=4 510 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,1,0,0,0,0|3,0,0]=4 511 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,1,0,0,0,0|2,0,0]=3 512 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,1,0,0,0,0|2,0,0]=3 513 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,1,0,0,0,0|1,0,0]=2 514 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,1,0,0,0,0|1,1,0]=3 515 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,0,0,0,0|3,0,0]=4 516 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,0,0,0,0|3,0,0]=4 517 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,0,0,0,0|3,0,0]=4 518 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,0,0,0,0|3,0,0]=4 519 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,0,0,0,0|3,0,0]=4 520 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,0,0,0,0|2,0,0]=3 521 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,0,0,0,0|3,0,0]=4 522 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,0,0,0,0|3,0,0]=4 523 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,0,0,0,0|3,0,0]=4 524 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,0,0,0,0|3,0,0]=4 525 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,0,0,0,0|3,0,0]=4 526 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,0,0,0,0|3,0,0]=4 527 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,0,0,0,0|3,0,0]=4 528 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,0,0,0,0|2,0,0]=3 529 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,0,0,0,0|2,0,0]=3 530 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,0,0,0,0|2,0,0]=3 531 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,0,0,0,0|2,0,0]=3 532 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,0,0,0,0|2,0,0]=3 533 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,1,0,0,0,0|2,0,0]=3 534 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,0,0,0,0|2,0,0]=3 535 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,0,0,0,0|2,0,0]=3 536 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,0,0,0,0|2,1,0]=4 537 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,0,0,0,0|2,1,0]=4 538 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,0,0,0,0|2,1,0]=4 539 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,0,0,0,0|2,1,0]=4 540 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,0,0,0,0|2,1,0]=4 541 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,0,0,0,0|2,1,0]=4 542 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,0,0,0,0|2,1,0]=4 543 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,1,0,0,0,0|3,0,0]=4 544 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,1,0,0,0,0|3,0,0]=4 545 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,1,0,0,0,0|3,0,0]=4 546 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,1,0,0,0,0|3,0,0]=4 547 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,1,0,0,0,0|2,0,0]=3 548 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,1,0,0,0,0|2,0,0]=3 549 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,1,0,0,0,0|3,0,0]=4 550 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,1,0,0,0,0|3,0,0]=4 551 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,1,0,0,0,0|2,0,0]=3 552 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,1,0,0,0,0|2,0,0]=3 553 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,1,0,0,0,0|2,0,0]=3 554 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,1,0,0,0,0|2,0,0]=3 555 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,1,0,0,0,0|2,0,0]=3 556 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,1,0,0,0,0|2,0,0]=3 557 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,1,0,0,0,0|2,1,0]=4 558 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,1,0,0,0,0|2,1,0]=4 559 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,1,0,0,0,0|3,0,0]=4 560 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,1,0,0,0,0|3,0,0]=4 561 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [0,1,0,0,0,0|2,0,1]=4 562 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,1,0,0,0,0|3,0,0]=4 563 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,1,0,0,0,0|2,0,0]=3 564 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,1,0,0,0,0|2,0,0]=3 565 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,1,0,0,0,0|2,0,0]=3 566 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,1,0,0,0,0|3,0,0]=4 567 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,1,0,0,0,0|3,0,0]=4 568 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [0,1,0,0,0,0|2,0,1]=4 569 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,1,0,0,0,0|3,0,0]=4 570 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,1,0,0,0,0|3,0,0]=4 571 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,1,0,0,0,0|3,0,0]=4 572 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,1,0,0,0,0|3,0,0]=4 573 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,1,0,0,0,0|3,0,0]=4 574 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,1,0,0,0,0|3,0,0]=4 575 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,1,0,0,0,0|3,0,0]=4 576 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,1,0,0,0,0|3,0,0]=4 577 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,1,0,0,0,0|2,0,0]=3 578 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,1,0,0,0,0|3,0,0]=4 579 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,1,0,0,0,0|3,0,0]=4 580 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,1,0,0,0,0|3,0,0]=4 581 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,1,0,0,0,0|3,0,0]=4 582 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,1,0,0,0,0|3,0,0]=4 583 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,1,0,0,0,0|3,0,0]=4 584 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,1,0,0,0,0|3,0,0]=4 585 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,1,0,0,0,0|3,0,0]=4 586 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,1,0,0,0,0|3,0,0]=4 587 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,1,0,0,0,0|2,0,0]=3 588 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,1,0,0,0,0|2,0,0]=3 589 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,1,0,0,0,0|3,0,0]=4 592 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,1,0,0,0,0|3,0,0]=4 593 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,1,0,0,0,0|2,0,0]=3 594 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,1,0,0,0,0|2,0,0]=3 595 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,1,0,0,0,0|3,0,0]=4 596 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,1,0,0,0,0|3,0,0]=4 597 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,1,0,0,0,0|3,0,0]=4 598 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,1,0,0,0,0|3,0,0]=4 599 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,1,0,0,0,0|3,0,0]=4 600 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,1,0,0,0,0|3,0,0]=4 601 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,1,0,0,0,0|3,0,0]=4 602 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,1,0,0,0,0|3,0,0]=4 603 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,1,0,0,0,0|3,0,0]=4 604 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,1,0,0,0,0|2,0,0]=3 605 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,1,0,0,0,0|2,0,0]=3 606 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,1,0,0,0,0|2,0,0]=3 608 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,1,0,0,0,0|2,0,0]=3 609 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,1,0,0,0,0|3,0,0]=4 610 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,1,0,0,0,0|3,0,0]=4 611 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,1,0,0,0,0|3,0,0]=4 612 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,1,0,0,0,0|2,0,0]=3 613 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,1,0,0,0,0|2,0,0]=3 614 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,1,0,0,0,0|2,0,0]=3 615 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,1,0,0,0,0|2,0,0]=3 616 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,1,0,0,0,0|2,0,0]=3 617 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,1,0,0,0,0|2,0,0]=3 618 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,1,0,0,0,0|3,0,0]=4 619 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,1,0,0,0,0|2,0,0]=3 620 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,1,0,0,0,0|2,0,0]=3 621 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,1,0,0,0,0|2,0,0]=3 622 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,1,0,0,0,0|2,0,0]=3 623 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,1,0,0,0,0|2,0,0]=3 624 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,1,0,0,0,0|2,0,0]=3 625 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,1,0,0,0,0|2,0,0]=3 626 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,1,0,0,0,0|2,0,0]=3 627 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,1,0,0,0,0|1,0,0]=2 628 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,1,0,0,0,0|3,0,0]=4 629 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,1,0,0,0,0|3,0,0]=4 630 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,1,0,0,0,0|3,0,0]=4 631 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,1,0,0,0,0|3,0,0]=4 632 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,1,0,0,0,0|3,0,0]=4 633 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,1,0,0,0,0|3,0,0]=4 634 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,1,0,0,0,0|3,0,0]=4 635 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,1,0,0,0,0|3,0,0]=4 636 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,1,0,0,0,0|3,0,0]=4 637 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,1,0,0,0,0|3,0,0]=4 638 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,1,0,0,0,0|3,0,0]=4 639 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,1,0,0,0,0|3,0,0]=4 640 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,1,0,0,0,0|3,0,0]=4 641 B7R0.1 COCCNCC#N 2230a_100000209980_100011215382 [0,1,0,0,0,0|1,0,1]=3 642 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,1,0,0,0,0|0,0,2]=3 643 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,1,0,0,0,0|1,0,0]=2 644 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,1,0,0,0,0|1,0,0]=2 645 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,1,0,0,0,0|0,0,0]=1 646 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,1,0,0,0,0|0,0,0]=1 647 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,1,0,0,0,0|0,0,0]=1 648 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,1,0,0,0,0|2,0,0]=3 649 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,1,0,0,0,0|2,0,0]=3 650 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,1,0,0,0,0|1,0,2]=4 651 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,1,0,0,0,0|2,0,0]=3 652 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,1,0,0,0,0|2,0,0]=3 653 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,1,0,0,0,0|2,0,0]=3 654 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,1,0,0,0,0|2,0,0]=3 655 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,1,0,0,0,0|2,0,0]=3 656 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,1,0,0,0,0|2,0,0]=3 657 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,1,0,0,0,0|2,0,0]=3 658 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,1,0,0,0,0|2,0,0]=3 662 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,1,0,0,0,0|1,0,0]=2 664 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,1,0,0,0,0|1,0,0]=2 665 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,1,0,0,0,0|3,0,0]=4 666 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,1,0,0,0,0|3,0,0]=4 667 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,1,0,0,0,0|3,0,0]=4 668 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,1,0,0,0,0|3,0,0]=4 669 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,1,0,0,0,0|3,0,0]=4 670 B7R0.1 COCCSCC#N 62a_100000233755_100011215382 [0,1,0,0,0,0|2,0,1]=4 671 B7R0.1 COCCSCC#N 62a_100011215382_100000233755 [0,1,0,0,0,0|2,0,1]=4 672 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,1,0,0,0,0|1,0,2]=4 673 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,1,0,0,0,0|1,0,2]=4 674 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,1,0,0,0,0|2,0,0]=3 675 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,1,0,0,0,0|2,0,0]=3 676 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,1,0,0,0,0|1,0,0]=2 677 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,1,0,0,0,0|1,0,0]=2 678 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,1,0,0,0,0|3,0,0]=4 679 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,1,0,0,0,0|3,0,0]=4 680 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,1,0,0,0,0|3,0,0]=4 681 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,1,0,0,0,0|3,0,0]=4 682 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,1,0,0,0,0|3,0,0]=4 683 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,1,0,0,0,0|2,1,0]=4 684 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,1,0,0,0,0|3,0,0]=4 685 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,1,0,0,0,0|3,0,0]=4 686 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,1,0,0,0,0|2,0,0]=3 687 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,1,0,0,0,0|2,0,0]=3 688 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,1,0,0,0,0|2,1,0]=4 689 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,1,0,0,0,0|2,1,0]=4 690 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,1,0,0,0,0|1,1,0]=3 691 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,1,0,0,0,0|1,1,0]=3 692 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,1,0,0,0,0|3,0,0]=4 693 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,1,0,0,0,0|3,0,0]=4 694 B7R0.1 CSCCNCC#N 2230a_100020590264_100011215382 [0,1,0,0,0,0|1,1,1]=4 695 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,1,0,0,0,0|0,1,2]=4 696 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,1,0,0,0,0|1,1,0]=3 697 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,1,0,0,0,0|1,1,0]=3 698 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,1,0,0,0,0|0,1,0]=2 699 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,1,0,0,0,0|0,1,0]=2 700 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,1,0,0,0,0|0,1,0]=2 701 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,1,0,0,0,0|2,1,0]=4 702 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,1,0,0,0,0|2,1,0]=4 703 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,1,0,0,0,0|2,1,0]=4 704 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,1,0,0,0,0|2,1,0]=4 705 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,1,0,0,0,0|2,1,0]=4 706 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,1,0,0,0,0|1,1,0]=3 707 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,1,0,0,0,0|1,1,0]=3 708 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,1,0,0,0,0|1,1,0]=3 709 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,1,0,0,0,0|1,1,0]=3 710 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,1,0,0,0,0|2,1,0]=4 711 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,1,0,0,0,0|2,1,0]=4 712 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,1,0,0,0,0|1,1,0]=3 713 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,1,0,0,0,0|1,1,0]=3 714 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,1,0,0,0,0|3,0,0]=4 715 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,1,0,0,0,0|3,0,0]=4 716 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,1,0,0,0,0|3,0,0]=4 717 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,1,0,0,0,0|2,1,0]=4 718 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,1,0,0,0,0|2,1,0]=4 719 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,1,0,0,0,0|3,0,0]=4 720 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,1,0,0,0,0|3,0,0]=4 721 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,1,0,0,0,0|3,0,0]=4 722 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,1,0,0,0,0|3,0,0]=4 723 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,1,0,0,0,0|2,0,0]=3 724 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,1,0,0,0,0|2,0,0]=3 725 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,1,0,0,0,0|2,0,0]=3 726 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,1,0,0,0,0|3,0,0]=4 727 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,1,0,0,0,0|3,0,0]=4 728 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,1,0,0,0,0|3,0,0]=4 729 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,1,0,0,0,0|3,0,0]=4 730 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,1,0,0,0,0|3,0,0]=4 731 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,1,0,0,0,0|3,0,0]=4 733 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,1,0,0,0,0|3,0,0]=4 734 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,1,0,0,0,0|3,0,0]=4 735 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,1,0,0,0,0|3,0,0]=4 736 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [0,1,0,0,0,0|1,0,0]=2 737 B7R0.1 N#CCCSCCF 62a_100011215226_100011217306 [0,1,0,0,0,0|3,0,0]=4 738 B7R0.1 N#CCCSCCF 62a_100011217306_100011215226 [0,1,0,0,0,0|3,0,0]=4 739 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,1,0,0,0,0|2,0,0]=3 740 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,1,0,0,0,0|2,0,0]=3 741 B7R0.1 N#CCNCCCF 2230a_100015189416_100011215382 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,1,0,0,0,0|2,0,1]=4 743 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,1,0,0,0,0|2,0,1]=4 744 B7R0.1 N#CSCSCCO 62a_100000211825_100000211926 [0,1,0,0,0,0|2,0,1]=4 745 B7R0.1 N#CSCSCCO 62a_100000211926_100000211825 [0,1,0,0,0,0|2,0,1]=4 746 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,1,0,0,0,0|3,0,0]=4 747 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,1,0,0,0,0|3,0,0]=4 748 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,1,0,0,0,0|2,0,0]=3 749 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,1,0,0,0,0|3,0,0]=4 750 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,1,0,0,0,0|2,0,0]=3 751 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,1,0,0,0,0|1,0,2]=4 752 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [0,1,0,0,0,0|2,0,0]=3 753 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [0,1,0,0,0,0|1,0,0]=2 754 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,1,0,0,0,0|1,0,2]=4 755 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,1,0,0,0,0|1,0,2]=4 756 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,1,0,0,0,0|1,0,2]=4 757 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,1,0,0,0,0|1,0,2]=4 758 B7R0.1 OCC#CCSCF 62a_100015361967_200000047223 [0,1,0,0,0,0|2,0,1]=4 759 B7R0.1 OCC#CCSCF 62a_200000047223_100015361967 [0,1,0,0,0,0|2,0,1]=4 760 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,1,0,0,0,0|2,0,0]=3 761 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,1,0,0,0,0|2,0,0]=3 762 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,1,0,0,0,0|2,0,0]=3 763 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,1,0,0,0,0|1,0,0]=2 764 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,1,0,0,0,0|0,0,0]=1 765 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,1,0,0,0,0|0,0,0]=1 766 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,1,0,0,0,0|2,0,0]=3 767 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,1,0,0,0,0|2,0,0]=3 768 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,1,0,0,0,0|2,0,0]=3 769 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,1,0,0,0,0|1,0,0]=2 770 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,1,0,0,0,0|1,0,0]=2 771 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,1,0,0,0,0|1,0,0]=2 772 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,1,0,0,0,0|1,0,0]=2 773 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,1,0,0,0,0|1,0,0]=2 774 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,1,0,0,0,0|1,0,0]=2 775 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,1,0,0,0,0|2,0,0]=3 776 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,1,0,0,0,0|2,0,0]=3 777 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,1,0,0,0,0|2,0,0]=3 778 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,1,0,0,0,0|2,0,0]=3 779 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,1,0,0,0,0|2,0,0]=3 780 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,1,0,0,0,0|2,0,0]=3 781 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,1,0,0,0,0|2,0,0]=3 782 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,1,0,0,0,0|2,0,0]=3 783 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,1,0,0,0,0|2,0,0]=3 784 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,1,0,0,0,0|2,0,0]=3 785 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,1,0,0,0,0|2,0,0]=3 786 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,1,0,0,0,0|2,0,0]=3 787 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,1,0,0,0,0|2,0,0]=3 788 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,1,0,0,0,0|2,0,0]=3 789 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,1,0,0,0,0|2,0,0]=3 790 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,1,0,0,0,0|2,0,0]=3 791 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,1,0,0,0,0|2,0,0]=3 792 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,1,0,0,0,0|2,0,0]=3 793 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,1,0,0,0,0|2,0,0]=3 794 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,1,0,0,0,0|2,0,0]=3 795 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,1,0,0,0,0|2,0,0]=3 796 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,1,0,0,0,0|2,0,0]=3 797 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,1,0,0,0,0|2,0,0]=3 798 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,1,0,0,0,0|2,0,0]=3 799 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,1,0,0,0,0|2,0,0]=3 800 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,1,0,0,0,0|2,0,0]=3 801 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,1,0,0,0,0|2,1,0]=4 802 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,1,0,0,0,0|2,1,0]=4 803 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,1,0,0,0,0|1,1,0]=3 804 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,1,0,0,0,0|1,1,0]=3 805 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,1,0,0,0,0|1,1,0]=3 806 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,1,0,0,0,0|1,1,0]=3 807 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [0,1,0,0,0,0|2,0,1]=4 808 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [0,1,0,0,0,0|2,0,1]=4 809 B7R0.3 C#CC(C)NCCF 2230a_100000707721_100011217306 [0,1,0,0,0,0|2,0,1]=4 810 B7R0.3 C#CC(C)NCCF 34a_100000707721_100011217306 [0,1,0,0,0,0|2,0,1]=4 811 B7R0.3 C#CC(C)NCCF 34a_100000724931_200000035995 [0,1,0,0,0,0|2,0,1]=4 812 B7R0.3 C#CC(C)NCCO 2230a_100000707721_100000211926 [0,1,0,0,0,0|1,0,1]=3 813 B7R0.3 C#CC(C)NCCO 34a_100000707721_100000211926 [0,1,0,0,0,0|1,0,1]=3 814 B7R0.3 C#CC(C)NCCO 34a_100016990907_200000035995 [0,1,0,0,0,0|1,0,1]=3 815 B7R0.3 C#CC(C)SCCO 62a_200000035995_100000211926 [0,1,0,0,0,0|2,0,1]=4 816 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,1,0,0,0,0|1,0,2]=4 817 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,1,0,0,0,0|1,0,2]=4 818 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,1,0,0,0,0|2,0,1]=4 819 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,1,0,0,0,0|2,0,1]=4 820 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [0,1,0,0,0,0|1,0,1]=3 821 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [0,1,0,0,0,0|1,0,1]=3 822 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [0,1,0,0,0,0|2,0,1]=4 823 B7R0.3 C#CCS[C@H](C)CO 62a_100000038162_100016084084 [0,1,0,0,0,0|2,0,1]=4 824 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [0,1,0,0,0,0|2,0,1]=4 825 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [0,1,0,0,0,0|2,0,1]=4 826 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,1,0,0,0,0|1,0,2]=4 827 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,1,0,0,0,0|2,0,1]=4 828 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,1,0,0,0,0|2,0,1]=4 829 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,1,0,0,0,0|1,0,2]=4 830 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,1,0,0,0,0|1,0,2]=4 831 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,0,0,0,0|2,0,1]=4 832 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,0,0,0,0|2,0,1]=4 833 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,1,0,0,0,0|1,0,1]=3 834 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,1,0,0,0,0|1,0,1]=3 835 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,1,0,0,0,0|2,0,1]=4 836 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,1,0,0,0,0|2,0,1]=4 837 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,1,0,0,0,0|2,0,1]=4 838 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,1,0,0,0,0|2,0,1]=4 839 B7R0.3 CC(C#N)NCCF 2230a_100000737613_100011217306 [0,1,0,0,0,0|2,0,1]=4 840 B7R0.3 CC(C#N)NCCO 2230a_100000737613_100000211926 [0,1,0,0,0,0|1,0,1]=3 841 B7R0.3 CC(C#N)NCCO 2230a_100016997473_100000184139 [0,1,0,0,0,0|1,0,1]=3 842 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [0,1,0,0,0,0|2,0,1]=4 843 B7R0.3 CC(C#N)SCCO 62a_100000211926_100000703298 [0,1,0,0,0,0|2,0,1]=4 844 B7R0.3 CC(C#N)SCCO 62a_100000703298_100000211926 [0,1,0,0,0,0|2,0,1]=4 845 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,1,0,0,0,0|3,0,0]=4 846 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,1,0,0,0,0|3,0,0]=4 847 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,1,0,0,0,0|2,0,0]=3 848 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,1,0,0,0,0|2,0,0]=3 849 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|3,0,0]=4 850 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|2,0,0]=3 851 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,1,0,0,0,0|3,0,0]=4 852 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|3,0,0]=4 853 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,1,0,0,0,0|3,0,0]=4 854 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,1,0,0,0,0|1,0,0]=2 855 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,1,0,0,0,0|0,0,0]=1 856 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,1,0,0,0,0|0,0,0]=1 857 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,1,0,0,0,0|2,0,0]=3 858 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,1,0,0,0,0|2,0,0]=3 859 B7R0.3 CC(CO)SCC#N 62a_100012180447_100011215382 [0,1,0,0,0,0|2,0,1]=4 860 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,1,0,0,0,0|1,0,2]=4 861 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,1,0,0,0,0|2,0,0]=3 862 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,1,0,0,0,0|1,0,0]=2 863 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|2,0,1]=4 864 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 865 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 866 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 867 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 868 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|1,0,1]=3 869 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|1,0,1]=3 870 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,1,0,0,0,0|2,0,1]=4 871 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,0,0,0,0|1,0,2]=4 872 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,0,0,0,0|2,0,0]=3 873 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,0,0,0,0|2,0,0]=3 874 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,0,0,0,0|1,0,0]=2 875 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,0,0,0,0|1,0,0]=2 876 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,0,0,0,0|1,0,0]=2 877 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,0,0,0,0|3,0,0]=4 878 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|3,0,0]=4 879 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,0,0,0,0|3,0,0]=4 880 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,0,0,0,0|3,0,0]=4 881 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,0,0,0,0|3,0,0]=4 882 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,0,0,0,0|2,0,0]=3 883 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,0,0,0,0|3,0,0]=4 884 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,0,0,0,0|3,0,0]=4 885 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,0,0,0,0|2,0,0]=3 886 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,0,0,0,0|2,0,0]=3 887 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|2,0,1]=4 888 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 889 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 890 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 891 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 892 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|1,0,1]=3 893 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|1,0,1]=3 894 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [0,1,0,0,0,0|2,0,1]=4 895 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|2,0,0]=3 896 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,1,0,0,0,0|1,0,0]=2 897 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,0,0,0,0|3,0,0]=4 898 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,0,0,0,0|3,0,0]=4 899 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,1,0,0,0,0|3,0,0]=4 900 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,1,0,0,0,0|3,0,0]=4 901 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,1,0,0,0,0|3,0,0]=4 902 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,0,0,0,0|2,0,0]=3 903 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,0,0,0,0|3,0,0]=4 904 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,0,0,0,0|3,0,0]=4 905 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,1,0,0,0,0|2,0,0]=3 906 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,1,0,0,0,0|2,0,0]=3 907 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,1,0,0,0,0|2,0,0]=3 908 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,1,0,0,0,0|3,0,0]=4 909 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,1,0,0,0,0|3,0,0]=4 910 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,1,0,0,0,0|3,0,0]=4 911 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,1,0,0,0,0|3,0,0]=4 912 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,1,0,0,0,0|3,0,0]=4 913 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,1,0,0,0,0|3,0,0]=4 914 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,1,0,0,0,0|3,0,0]=4 915 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,1,0,0,0,0|3,0,0]=4 916 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,1,0,0,0,0|3,0,0]=4 917 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,1,0,0,0,0|3,0,0]=4 918 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,0,0,0,0|2,0,1]=4 919 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,1,0,0,0,0|3,0,0]=4 920 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,1,0,0,0,0|3,0,0]=4 921 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,1,0,0,0,0|3,0,0]=4 922 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,1,0,0,0,0|3,0,0]=4 923 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,1,0,0,0,0|3,0,0]=4 924 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,1,0,0,0,0|3,0,0]=4 925 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,1,0,0,0,0|3,0,0]=4 926 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,1,0,0,0,0|3,0,0]=4 927 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,1,0,0,0,0|3,0,0]=4 928 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [0,1,0,0,0,0|3,0,0]=4 929 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,0,0,0,0|2,0,1]=4 930 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,0,0,0,0|2,0,1]=4 931 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,0,0,0,0|2,0,1]=4 932 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,0,0,0,0|2,0,1]=4 933 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,1,0,0,0,0|3,0,0]=4 934 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,1,0,0,0,0|3,0,0]=4 935 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,1,0,0,0,0|3,0,0]=4 936 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,1,0,0,0,0|3,0,0]=4 937 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,1,0,0,0,0|2,0,0]=3 938 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,1,0,0,0,0|3,0,0]=4 939 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,1,0,0,0,0|3,0,0]=4 940 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,1,0,0,0,0|3,0,0]=4 941 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,1,0,0,0,0|2,0,0]=3 942 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,1,0,0,0,0|3,0,0]=4 943 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,1,0,0,0,0|3,0,0]=4 944 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,1,0,0,0,0|3,0,0]=4 945 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,1,0,0,0,0|3,0,0]=4 946 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,1,0,0,0,0|3,0,0]=4 947 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [0,1,0,0,0,0|1,0,1]=3 948 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,0,0,0,0|0,0,2]=3 949 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,1,0,0,0,0|1,0,0]=2 950 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,1,0,0,0,0|0,0,0]=1 951 B7R0.3 C[C@H](CO)SCC#N 62a_100011215382_100016084084 [0,1,0,0,0,0|2,0,1]=4 952 B7R0.3 C[C@H](CO)SCC#N 62a_100016084084_100011215382 [0,1,0,0,0,0|2,0,1]=4 953 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,1,0,0,0,0|1,0,2]=4 954 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,1,0,0,0,0|1,0,2]=4 955 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,1,0,0,0,0|2,0,0]=3 956 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,1,0,0,0,0|2,0,0]=3 957 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,1,0,0,0,0|1,0,0]=2 958 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,1,0,0,0,0|1,0,0]=2 959 B7R0.3 N#CC(F)SCCO 62a_100000211926_200000117898 [0,1,0,0,0,0|2,0,1]=4 960 B7R0.3 N#CC(F)SCCO 62a_200000117898_100000211926 [0,1,0,0,0,0|2,0,1]=4 961 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,1,0,0,0,0|1,0,2]=4 962 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|2,0,1]=4 963 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|1,0,1]=3 964 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|1,0,1]=3 965 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|1,0,1]=3 966 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|0,0,1]=2 967 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|0,0,1]=2 968 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,1,0,0,0,0|3,0,0]=4 969 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,1,0,0,0,0|3,0,0]=4 970 B7R0.3 OC[C@H](F)CNCF 34a_100015665980_100015361967 [0,1,0,0,0,0|3,0,0]=4 971 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,1,0,0,0,0|3,0,0]=4 972 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,1,0,0,0,0|3,0,0]=4 973 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,1,0,0,0,0|1,0,2]=4 974 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [0,1,0,0,0,0|2,0,1]=4 975 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [0,1,0,0,0,0|2,0,1]=4 976 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [0,1,0,0,0,0|2,0,1]=4 977 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [0,1,0,0,0,0|1,0,1]=3 978 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [0,1,0,0,0,0|1,0,1]=3 979 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [0,1,0,0,0,0|1,0,1]=3 980 B7R0.4 C#CCNCC(F)F 34a_100000212058_100011934356 [0,1,0,0,0,0|2,0,1]=4 981 B7R0.4 C#CCNCC(F)F 34a_100000765723_100000184674 [0,1,0,0,0,0|2,0,1]=4 982 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [0,1,0,0,0,0|1,0,1]=3 983 B7R0.4 C#CCOCC(C)O 34a_100000210247_100011218427 [0,1,0,0,0,0|2,0,1]=4 984 B7R0.4 C#CCOC[C@@H](C)O 34a_100000210247_100009817552 [0,1,0,0,0,0|2,0,1]=4 985 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [0,1,0,0,0,0|2,0,1]=4 986 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [0,1,0,0,0,0|2,0,1]=4 987 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,1,0,0,0,0|2,0,1]=4 988 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,1,0,0,0,0|1,0,1]=3 989 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,1,0,0,0,0|1,0,1]=3 990 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,1,0,0,0,0|2,0,1]=4 991 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,1,0,0,0,0|2,0,1]=4 992 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,1,0,0,0,0|2,0,1]=4 993 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,1,0,0,0,0|2,0,1]=4 994 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,1,0,0,0,0|1,0,1]=3 995 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,1,0,0,0,0|1,0,1]=3 996 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,1,0,0,0,0|2,0,1]=4 997 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,1,0,0,0,0|2,0,1]=4 998 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,1,0,0,0,0|2,0,1]=4 999 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,1,0,0,0,0|1,0,2]=4 1000 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,1,0,0,0,0|2,0,1]=4 1001 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,1,0,0,0,0|2,0,1]=4 1002 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,1,0,0,0,0|2,0,1]=4 1003 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,1,0,0,0,0|2,0,1]=4 1004 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,1,0,0,0,0|1,0,1]=3 1005 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,1,0,0,0,0|1,0,1]=3 1006 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,1,0,0,0,0|1,0,1]=3 1007 B7R0.4 C=CCNCC(F)F 2230a_100020586998_100011934356 [0,1,0,0,0,0|2,0,1]=4 1008 B7R0.4 C=CCNCC(F)F 34a_100000765723_100015514636 [0,1,0,0,0,0|2,0,1]=4 1009 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,1,0,0,0,0|1,0,1]=3 1010 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,1,0,0,0,0|2,0,1]=4 1011 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,1,0,0,0,0|2,0,1]=4 1012 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,1,0,0,0,0|2,0,1]=4 1013 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,1,0,0,0,0|2,0,1]=4 1014 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,1,0,0,0,0|2,0,1]=4 1015 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,1,0,0,0,0|2,0,1]=4 1016 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,0,0,0,0|1,0,2]=4 1017 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,0,0,0,0|1,0,2]=4 1018 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,0,0,0,0|1,0,2]=4 1019 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,0,0,0,0|1,0,2]=4 1020 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,1,0,0,0,0|1,0,2]=4 1021 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [0,1,0,0,0,0|3,0,0]=4 1022 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,1,0,0,0,0|2,0,0]=3 1023 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [0,1,0,0,0,0|2,0,1]=4 1024 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,0,0,0,0|1,0,2]=4 1025 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,0,0,0,0|1,0,2]=4 1026 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,1,0,0,0,0|2,0,0]=3 1027 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,1,0,0,0,0|2,0,0]=3 1028 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,1,0,0,0,0|2,0,0]=3 1029 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,1,0,0,0,0|1,0,0]=2 1030 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,1,0,0,0,0|1,0,0]=2 1031 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,1,0,0,0,0|1,0,0]=2 1032 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,1,0,0,0,0|1,0,0]=2 1033 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,1,0,0,0,0|1,0,0]=2 1034 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,1,0,0,0,0|3,0,0]=4 1035 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,1,0,0,0,0|3,0,0]=4 1036 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,1,0,0,0,0|3,0,0]=4 1037 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,1,0,0,0,0|2,0,0]=3 1038 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,1,0,0,0,0|3,0,0]=4 1039 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,1,0,0,0,0|3,0,0]=4 1040 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,1,0,0,0,0|2,0,0]=3 1041 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,1,0,0,0,0|2,0,0]=3 1042 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,1,0,0,0,0|3,0,0]=4 1043 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,1,0,0,0,0|3,0,0]=4 1044 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,1,0,0,0,0|3,0,0]=4 1045 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,1,0,0,0,0|3,0,0]=4 1046 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,1,0,0,0,0|3,0,0]=4 1047 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [0,1,0,0,0,0|3,0,0]=4 1048 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,1,0,0,0,0|2,0,0]=3 1049 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,0,0,0,0|3,0,0]=4 1050 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,0,0,0,0|3,0,0]=4 1051 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,1,0,0,0,0|3,0,0]=4 1052 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,1,0,0,0,0|3,0,0]=4 1053 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [0,1,0,0,0,0|1,0,1]=3 1054 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,0,0,0,0|0,0,2]=3 1055 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|0,0,2]=3 1056 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,1,0,0,0,0|1,0,0]=2 1057 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|1,0,0]=2 1058 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,1,0,0,0,0|1,0,0]=2 1059 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,1,0,0,0,0|0,0,0]=1 1060 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,1,0,0,0,0|0,0,0]=1 1061 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|0,0,0]=1 1062 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,1,0,0,0,0|0,0,0]=1 1063 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,1,0,0,0,0|2,0,0]=3 1064 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,1,0,0,0,0|2,0,0]=3 1065 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [0,1,0,0,0,0|2,0,1]=4 1066 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [0,1,0,0,0,0|2,0,1]=4 1067 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,0,0,0,0|1,0,2]=4 1068 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,0,0,0,0|1,0,2]=4 1069 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,1,0,0,0,0|2,0,0]=3 1070 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,1,0,0,0,0|2,0,0]=3 1071 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,1,0,0,0,0|1,0,0]=2 1072 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,1,0,0,0,0|1,0,0]=2 1073 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [0,1,0,0,0,0|2,0,1]=4 1074 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,0,0,0,0|1,0,2]=4 1075 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,0,0,0,0|1,0,1]=3 1076 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,1,0,0,0,0|2,0,0]=3 1077 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,1,0,0,0,0|2,0,0]=3 1078 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,1,0,0,0,0|2,0,0]=3 1079 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,0,0,0,0|1,0,0]=2 1080 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,0,0,0,0|1,0,0]=2 1081 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,1,0,0,0,0|2,0,0]=3 1082 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,1,0,0,0,0|3,0,0]=4 1083 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,1,0,0,0,0|3,0,0]=4 1084 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,1,0,0,0,0|3,0,0]=4 1085 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,1,0,0,0,0|3,0,0]=4 1086 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,0,0,0,0|2,0,0]=3 1087 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,1,0,0,0,0|3,0,0]=4 1088 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,1,0,0,0,0|3,0,0]=4 1089 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,1,0,0,0,0|3,0,0]=4 1090 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,1,0,0,0,0|3,0,0]=4 1091 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,0,0,0,0|2,0,0]=3 1092 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,1,0,0,0,0|3,0,0]=4 1093 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,1,0,0,0,0|3,0,0]=4 1094 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,0,0,0,0|2,0,0]=3 1095 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,0,0,0,0|2,0,0]=3 1096 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,1,0,0,0,0|3,0,0]=4 1097 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,1,0,0,0,0|3,0,0]=4 1098 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,0,0,0,0|2,0,0]=3 1099 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,0,0,0,0|2,0,0]=3 1100 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,1,0,0,0,0|3,0,0]=4 1101 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,1,0,0,0,0|3,0,0]=4 1102 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,0,0,0,0|3,0,0]=4 1103 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,1,0,0,0,0|3,0,0]=4 1104 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,1,0,0,0,0|3,0,0]=4 1105 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,1,0,0,0,0|3,0,0]=4 1106 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,1,0,0,0,0|3,0,0]=4 1107 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,1,0,0,0,0|3,0,0]=4 1108 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,1,0,0,0,0|3,0,0]=4 1109 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,1,0,0,0,0|3,0,0]=4 1110 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,1,0,0,0,0|3,0,0]=4 1111 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,0,0,0,0|3,0,0]=4 1112 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,0,0,0,0|3,0,0]=4 1113 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,0,0,0,0|3,0,0]=4 1114 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,0,0,0,0|3,0,0]=4 1115 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,0,0,0,0|2,0,1]=4 1116 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,1,0,0,0,0|3,0,0]=4 1117 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,1,0,0,0,0|2,0,0]=3 1118 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,1,0,0,0,0|3,0,0]=4 1119 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,1,0,0,0,0|3,0,0]=4 1120 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,1,0,0,0,0|3,0,0]=4 1121 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,1,0,0,0,0|3,0,0]=4 1122 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,0,0,0,0|3,0,0]=4 1123 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,0,0,0,0|3,0,0]=4 1124 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,0,0,0,0|2,0,1]=4 1125 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,1,0,0,0,0|3,0,0]=4 1126 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,1,0,0,0,0|3,0,0]=4 1127 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,1,0,0,0,0|2,0,0]=3 1128 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,1,0,0,0,0|2,0,0]=3 1129 B7R0.4 CSCNCC(F)F 34a_100000765723_100011218213 [0,1,0,0,0,0|3,0,0]=4 1130 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,1,0,0,0,0|3,0,0]=4 1131 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,1,0,0,0,0|3,0,0]=4 1132 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,1,0,0,0,0|3,0,0]=4 1133 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,1,0,0,0,0|3,0,0]=4 1134 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [0,1,0,0,0,0|3,0,0]=4 1135 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,1,0,0,0,0|2,0,0]=3 1136 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [0,1,0,0,0,0|3,0,0]=4 1137 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,1,0,0,0,0|2,0,0]=3 1138 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,1,0,0,0,0|1,0,0]=2 1139 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,1,0,0,0,0|0,0,0]=1 1140 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,1,0,0,0,0|0,0,0]=1 1141 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,1,0,0,0,0|2,0,0]=3 1142 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,1,0,0,0,0|2,0,0]=3 1143 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [0,1,0,0,0,0|2,0,1]=4 1144 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [0,1,0,0,0,0|2,0,1]=4 1145 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,0,0,0,0|1,0,2]=4 1146 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,0,0,0,0|1,0,2]=4 1147 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,1,0,0,0,0|2,0,0]=3 1148 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,1,0,0,0,0|2,0,0]=3 1149 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,1,0,0,0,0|1,0,0]=2 1150 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,1,0,0,0,0|1,0,0]=2 1151 B7R0.4 FC(F)COCCBr 34a_100000211926_100011934356 [0,1,0,0,0,0|3,0,0]=4 1152 B7R0.4 FCCNCC(F)F 34a_100000724931_100011934356 [0,1,0,0,0,0|2,0,0]=3 1153 B7R0.4 FCCNCC(F)F 34a_100000765723_100011217306 [0,1,0,0,0,0|2,0,0]=3 1154 B7R0.4 FCCOCC(F)F 34a_100000743014_100011217306 [0,1,0,0,0,0|3,0,0]=4 1155 B7R0.4 FCCSCC(F)F 62a_100011217306_100011934356 [0,1,0,0,0,0|3,0,0]=4 1156 B7R0.4 FCCSCC(F)F 62a_100011934356_100011217306 [0,1,0,0,0,0|3,0,0]=4 1157 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,1,0,0,0,0|1,0,2]=4 1158 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,0,0,0,0|1,0,2]=4 1159 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,0,0,0,0|1,0,2]=4 1160 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,0,0,0,0|0,0,2]=3 1161 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,0,0,0,0|0,0,2]=3 1162 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,0,0,0,0|0,0,2]=3 1163 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,0,0,0,0|1,0,2]=4 1164 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,0,0,0,0|1,0,2]=4 1165 B7R0.4 NCCOCC(F)F 34a_100000210304_100011934356 [0,1,0,0,0,0|3,0,0]=4 1166 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,0,0,0,0|1,0,1]=3 1167 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,0,0,0,0|0,0,1]=2 1168 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,1,0,0,0,0|1,0,2]=4 1169 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,0,0,0,0|0,0,2]=3 1170 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,1,0,0,0,0|1,0,2]=4 1171 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,1,0,0,0,0|1,0,2]=4 1172 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,1,0,0,0,0|0,0,3]=4 1173 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,1,0,0,0,0|1,0,2]=4 1174 B7R0.4 O=[N+]([O-])CNCCF 34a_100000724931_100000761209 [0,1,0,0,0,0|2,0,1]=4 1175 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,1,0,0,0,0|1,0,1]=3 1176 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [0,1,0,0,0,0|2,0,1]=4 1177 B7R0.4 OCCNCC(F)F 2230a_100016997473_100011934356 [0,1,0,0,0,0|1,0,0]=2 1178 B7R0.4 OCCNCC(F)F 34a_100000765723_100000211926 [0,1,0,0,0,0|1,0,0]=2 1179 B7R0.4 OCCNCC(F)F 34a_100016990907_100011934356 [0,1,0,0,0,0|1,0,0]=2 1180 B7R0.4 OCCOCC(F)F 34a_100000743014_100000211926 [0,1,0,0,0,0|2,0,0]=3 1181 B7R0.4 OCCSCC(F)F 62a_100000211926_100011934356 [0,1,0,0,0,0|2,0,0]=3 1182 B7R0.4 OCCSCC(F)F 62a_100011934356_100000211926 [0,1,0,0,0,0|2,0,0]=3 1183 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,0,0,0,0|1,0,2]=4 1184 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,0,0,0,0|1,0,2]=4 1185 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,1,0,0,0,0|2,0,1]=4 1186 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,1,0,0,0,0|2,0,1]=4 1187 B7R0.7 C#CCN(C)CCC 2230a_100000225692_100000210303 [0,1,0,0,0,0|2,0,1]=4 1188 B7R0.7 C#CCN(C)CCC 2230a_100000747261_100000038162 [0,1,0,0,0,0|2,0,1]=4 1189 B7R0.7 C#CCN(C)CCC 34a_100000225692_100000210303 [0,1,0,0,0,0|2,0,1]=4 1190 B7R0.7 C#CCN(C)CCF 2230a_100000225692_100011217306 [0,1,0,0,0,0|2,0,1]=4 1191 B7R0.7 C#CCN(C)CCF 34a_100000225692_100011217306 [0,1,0,0,0,0|2,0,1]=4 1192 B7R0.7 C#CCN(C)CCO 2230a_100000210263_100000038162 [0,1,0,0,0,0|1,0,1]=3 1193 B7R0.7 C#CCN(C)CCO 2230a_100000225692_100000211926 [0,1,0,0,0,0|1,0,1]=3 1194 B7R0.7 C#CCN(C)CCO 34a_100000225692_100000211926 [0,1,0,0,0,0|1,0,1]=3 1195 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,0,0,0,0|2,0,1]=4 1196 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,0,0,0,0|2,0,1]=4 1197 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 1198 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 1199 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 1200 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 1201 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,1,0,0,0,0|2,0,1]=4 1202 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,1,0,0,0,0|2,0,1]=4 1203 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,1,0,0,0,0|1,0,1]=3 1204 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,1,0,0,0,0|1,0,1]=3 1205 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,1,0,0,0,0|1,0,1]=3 1206 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,1,0,0,0,0|1,0,1]=3 1207 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,1,0,0,0,0|3,0,0]=4 1208 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,1,0,0,0,0|3,0,0]=4 1209 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|3,0,0]=4 1210 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,0,0,0,0|3,0,0]=4 1211 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,0,0,0,0|2,0,0]=3 1212 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,0,0,0,0|2,0,0]=3 1213 B7R0.7 CCCN(C)CC#N 2230a_100000747261_100011215382 [0,1,0,0,0,0|2,0,1]=4 1214 B7R0.7 CCCN(C)CC#N 2230a_100000748184_100000210303 [0,1,0,0,0,0|2,0,1]=4 1215 B7R0.7 CCCN(C)CC#N 269982a_100000747261_100011214920 [0,1,0,0,0,0|2,0,1]=4 1216 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,0,0,0,0|1,0,2]=4 1217 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,0,0,0,0|1,0,2]=4 1218 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,0,0,0,0|2,0,0]=3 1219 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,0,0,0,0|2,0,0]=3 1220 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,0,0,0,0|2,0,0]=3 1221 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,0,0,0,0|2,0,0]=3 1222 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,1,0,0,0,0|2,0,0]=3 1223 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,1,0,0,0,0|2,0,0]=3 1224 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,0,0,0,0|1,0,0]=2 1225 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,0,0,0,0|1,0,0]=2 1226 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,0,0,0,0|1,0,0]=2 1227 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,0,0,0,0|1,0,0]=2 1228 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,0,0,0,0|1,0,0]=2 1229 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,0,0,0,0|1,0,0]=2 1230 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,0,0,0,0|3,0,0]=4 1231 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,0,0,0,0|3,0,0]=4 1232 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,0,0,0,0|3,0,0]=4 1233 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,0,0,0,0|3,0,0]=4 1234 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,0,0,0,0|2,0,0]=3 1235 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,0,0,0,0|2,0,0]=3 1236 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,0,0,0,0|1,0,0]=2 1237 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,0,0,0,0|1,0,0]=2 1238 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,0,0,0,0|3,0,0]=4 1239 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,0,0,0,0|3,0,0]=4 1240 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,0,0,0,0|3,0,0]=4 1241 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,0,0,0,0|3,0,0]=4 1242 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,0,0,0,0|3,0,0]=4 1243 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,0,0,0,0|3,0,0]=4 1244 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,0,0,0,0|3,0,0]=4 1245 B7R0.7 CN(CC#N)CCF 2230a_100000748184_100011217306 [0,1,0,0,0,0|2,0,1]=4 1246 B7R0.7 CN(CC#N)CCO 2230a_100000210263_100011215382 [0,1,0,0,0,0|1,0,1]=3 1247 B7R0.7 CN(CC#N)CCO 2230a_100000748184_100000211926 [0,1,0,0,0,0|1,0,1]=3 1248 B7R0.7 CN(CC#N)CCO 269982a_100000210263_100011214920 [0,1,0,0,0,0|1,0,1]=3 1249 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,0,0,0,0|0,0,2]=3 1250 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,0,0,0,0|0,0,2]=3 1251 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [0,1,0,0,0,0|1,0,0]=2 1252 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [0,1,0,0,0,0|1,0,0]=2 1253 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [0,1,0,0,0,0|0,0,0]=1 1254 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [0,1,0,0,0,0|0,0,0]=1 1255 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [0,1,0,0,0,0|0,0,0]=1 1256 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [0,1,0,0,0,0|0,0,0]=1 1257 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,0,0,0,0|3,0,0]=4 1258 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [0,1,0,0,0,0|2,0,0]=3 1259 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [0,1,0,0,0,0|2,0,0]=3 1260 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,0,0,0,0|3,0,0]=4 1261 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,1,0,0,0,0|2,0,0]=3 1262 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,1,0,0,0,0|2,0,0]=3 1263 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,1,0,0,0,0|3,0,0]=4 1264 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,1,0,0,0,0|2,0,1]=4 1265 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,1,0,0,0,0|2,0,1]=4 1266 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,0,0,0,0|2,0,0]=3 1267 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,0,0,0,0|1,0,0]=2 1268 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [0,1,0,0,0,0|0,0,0]=1 1269 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [0,1,0,0,0,0|0,0,0]=1 1270 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,1,0,0|3,0,0]=4 1271 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,1,0,0|3,0,0]=4 1272 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,0,0,1,0,0|2,0,1]=4 1273 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,0,1,0,0|2,0,0]=3 1274 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,0,0,1,0,0|3,0,0]=4 1275 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,0,0,1,0,0|3,0,0]=4 1276 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,0,0,1,0,0|3,0,0]=4 1277 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,0,0,1,0,0|3,0,0]=4 1278 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,0,0,1,0,0|3,0,0]=4 1279 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,0,0,1,0,0|3,0,0]=4 1280 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,0,0,1,0,0|3,0,0]=4 1281 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [0,0,0,1,0,0|3,0,0]=4 1282 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,0,0,1,0,0|3,0,0]=4 1283 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,0,0,1,0,0|3,0,0]=4 1284 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [0,0,0,1,0,0|3,0,0]=4 1285 B7R1.6 FCCN1CCC1 269982a_100000754969_100011217306 [0,0,0,1,0,0|2,0,0]=3 1286 B7R1.6 N#CCN1CCC1 269982a_100000754969_100011214920 [0,0,0,1,0,0|2,0,1]=4 1287 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,0,1,0,0|1,0,2]=4 1288 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [0,0,0,1,0,0|1,0,0]=2 1289 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,0,0,1,0,0|3,0,0]=4 1290 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,0,0,1,0,0|3,0,0]=4 1291 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,0,0,1,0,0|3,0,0]=4 1292 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,0,0,1,0,0|3,0,0]=4 1293 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,0,0,1,0,0|3,0,0]=4 1294 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [0,0,0,1,0,0|3,0,0]=4 1295 B7R1.7 C#CCNC1CC1 34a_100000212008_100000184674 [0,0,0,1,0,0|2,0,1]=4 1296 B7R1.7 C#CCNC1CC1 34a_100000212058_100000211595 [0,0,0,1,0,0|2,0,1]=4 1297 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,0,0,1,0,0|2,0,1]=4 1298 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,0,0,1,0,0|2,0,0]=3 1299 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,0,0,1,0,0|3,0,0]=4 1300 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,0,0,1,0,0|3,0,0]=4 1301 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,0,0,1,0,0|3,0,0]=4 1302 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,0,0,1,0,0|3,0,0]=4 1303 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,0,0,1,0,0|3,0,0]=4 1304 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,0,0,1,0,0|3,0,0]=4 1305 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,0,0,1,0,0|3,0,0]=4 1306 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,0,0,1,0,0|3,0,0]=4 1307 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,0,0,1,0,0|3,0,0]=4 1308 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,0,0,1,0,0|3,0,0]=4 1309 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,0,0,1,0,0|3,0,0]=4 1310 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,0,0,1,0,0|3,0,0]=4 1311 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,0,0,1,0,0|3,0,0]=4 1312 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,0,0,1,0,0|3,0,0]=4 1313 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,0,0,1,0,0|3,0,0]=4 1314 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,0,0,1,0,0|3,0,0]=4 1315 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,0,0,1,0,0|3,0,0]=4 1316 B7R1.7 FCCNC1CC1 34a_100000212008_100011217306 [0,0,0,1,0,0|2,0,0]=3 1317 B7R1.7 FCCNC1CC1 34a_100000724931_100000211595 [0,0,0,1,0,0|2,0,0]=3 1318 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [0,0,0,1,0,0|3,0,0]=4 1319 B7R1.7 FCOC[C@@H]1CO1 34a_100000757423_100015361967 [0,0,0,1,0,0|3,0,0]=4 1320 B7R1.7 FCSCC1CO1 62a_100015361967_102125554688 [0,0,0,1,0,0|3,0,0]=4 1321 B7R1.7 FCSCC1CO1 62a_102125554688_100015361967 [0,0,0,1,0,0|3,0,0]=4 1322 B7R1.7 FCSC[C@@H]1CO1 62a_100000745022_100015361967 [0,0,0,1,0,0|3,0,0]=4 1323 B7R1.7 FCSC[C@@H]1CO1 62a_100015361967_100000745022 [0,0,0,1,0,0|3,0,0]=4 1324 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [0,0,0,1,0,0|3,0,0]=4 1325 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,0,0,1,0,0|1,0,2]=4 1326 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,0,0,1,0,0|1,0,0]=2 1327 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,0,0,1,0,0|1,0,0]=2 1328 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,0,0,1,0,0|2,0,0]=3 1329 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,0,0,1,0,0|3,0,0]=4 1330 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,0,0,1,0,0|3,0,0]=4 1331 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,0,0,1,0,0|3,0,0]=4 1332 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [2,0,0,0,0,0|1,0,1]=4 1333 B4R0.2 C#CCNC 34a_100000212058_200000210301 [2,0,0,0,0,0|1,0,1]=4 1334 B4R0.2 C#CCNC 34a_100102657272_100000184674 [2,0,0,0,0,0|1,0,1]=4 1335 B4R0.2 C#CCNC 7a_106832991635_100000038162 [2,0,0,0,0,0|1,0,1]=4 1336 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [2,0,0,0,0,0|1,0,1]=4 1337 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 1338 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 1339 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 1340 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 1341 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 1342 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1343 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,0]=3 1344 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1345 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|2,0,0]=4 1346 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|2,0,0]=4 1347 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|2,0,0]=4 1348 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|2,0,0]=4 1349 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|2,0,0]=4 1350 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|2,0,0]=4 1351 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|2,0,0]=4 1352 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|0,0,0]=2 1353 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,0]=3 1354 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 1355 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,0]=3 1356 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 1357 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 1358 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [2,0,0,0,0,0|1,0,1]=4 1359 B4R0.2 CNCC#N 7a_106832991635_100011215382 [2,0,0,0,0,0|1,0,1]=4 1360 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|0,0,2]=4 1361 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|0,0,2]=4 1362 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|0,0,2]=4 1363 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|1,0,0]=3 1364 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|1,0,0]=3 1365 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|1,0,0]=3 1366 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|1,0,0]=3 1367 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|0,0,0]=2 1368 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|0,0,0]=2 1369 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|0,0,0]=2 1370 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|0,0,0]=2 1371 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|0,0,0]=2 1372 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|2,0,0]=4 1373 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|2,0,0]=4 1374 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|2,0,0]=4 1375 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1376 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|2,0,0]=4 1377 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|2,0,0]=4 1378 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,0]=3 1379 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|2,0,0]=4 1380 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|2,0,0]=4 1381 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,0]=3 1382 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,0]=3 1383 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|1,0,0]=3 1384 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|0,0,0]=2 1385 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|0,0,0]=2 1386 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1387 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|2,0,0]=4 1388 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|2,0,0]=4 1389 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|2,0,0]=4 1390 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,0]=3 1391 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,0]=3 1392 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [1,1,0,0,0,0|1,0,1]=4 1393 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [1,1,0,0,0,0|1,0,1]=4 1394 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [1,1,0,0,0,0|1,0,1]=4 1395 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [1,1,0,0,0,0|1,0,1]=4 1396 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [1,1,0,0,0,0|1,0,1]=4 1397 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [1,1,0,0,0,0|1,0,1]=4 1398 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [1,1,0,0,0,0|1,0,1]=4 1399 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [1,1,0,0,0,0|1,0,1]=4 1400 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [1,1,0,0,0,0|1,0,1]=4 1401 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,1,0,0,0,0|1,0,1]=4 1402 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,1,0,0,0,0|1,0,1]=4 1403 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,1,0,0,0,0|1,0,1]=4 1404 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,1,0,0,0,0|1,0,1]=4 1405 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1406 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,1,0,0,0,0|2,0,0]=4 1407 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|2,0,0]=4 1408 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [1,1,0,0,0,0|2,0,0]=4 1409 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|2,0,0]=4 1410 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|1,0,0]=3 1411 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|1,0,0]=3 1412 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|2,0,0]=4 1413 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|2,0,0]=4 1414 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|1,0,1]=4 1415 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,1,0,0,0,0|1,0,0]=3 1416 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,1,0,0,0,0|1,0,0]=3 1417 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,1,0,0,0,0|1,0,0]=3 1418 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,1,0,0,0,0|1,0,0]=3 1419 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,1,0,0,0,0|1,0,0]=3 1420 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,1,0,0,0,0|1,0,0]=3 1421 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,1,0,0,0,0|2,0,0]=4 1422 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,1,0,0,0,0|1,0,0]=3 1423 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,1,0,0,0,0|1,0,0]=3 1424 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [1,1,0,0,0,0|1,0,1]=4 1425 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [1,1,0,0,0,0|1,0,1]=4 1426 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [1,1,0,0,0,0|1,0,1]=4 1427 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,1,0,0,0,0|0,0,2]=4 1428 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,1,0,0,0,0|0,0,2]=4 1429 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,1,0,0,0,0|1,0,0]=3 1430 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,1,0,0,0,0|1,0,0]=3 1431 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,1,0,0,0,0|0,0,0]=2 1432 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,1,0,0,0,0|0,0,0]=2 1433 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,1,0,0,0,0|0,0,0]=2 1434 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,1,0,0,0,0|0,0,0]=2 1435 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,1,0,0,0,0|0,0,0]=2 1436 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,1,0,0,0,0|0,0,0]=2 1437 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,1,0,0,0,0|2,0,0]=4 1438 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,1,0,0,0,0|2,0,0]=4 1439 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,1,0,0,0,0|2,0,0]=4 1440 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,1,0,0,0,0|2,0,0]=4 1441 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,1,0,0,0,0|0,0,0]=2 1442 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,1,0,0,0,0|0,0,0]=2 1443 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 1444 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 1445 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 1446 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|0,0,1]=3 1447 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|0,0,1]=3 1448 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [1,1,0,0,0,0|1,0,1]=4 1449 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [1,1,0,0,0,0|1,0,1]=4 1450 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,1,0,0,0,0|1,0,0]=3 1451 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,1,0,0,0,0|1,0,0]=3 1452 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,1,0,0,0,0|0,0,0]=2 1453 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,1,0,0,0,0|0,0,0]=2 1454 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,1,0,0,0,0|2,0,0]=4 1455 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,1,0,0,0,0|2,0,0]=4 1456 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,1,0,0,0,0|2,0,0]=4 1457 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,1,0,0,0,0|2,0,0]=4 1458 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,1,0,0,0,0|2,0,0]=4 1459 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,1,0,0,0,0|1,0,0]=3 1460 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,1,0,0,0,0|2,0,0]=4 1461 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,1,0,0,0,0|2,0,0]=4 1462 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,1,0,0,0,0|1,0,0]=3 1463 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,1,0,0,0,0|1,0,0]=3 1464 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,1,0,0,0,0|1,0,0]=3 1465 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,1,0,0,0,0|1,0,0]=3 1466 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|2,0,0]=4 1467 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,1,0,0,0,0|2,0,0]=4 1468 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,1,0,0,0,0|2,0,0]=4 1469 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,1,0,0,0,0|2,0,0]=4 1470 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,1,0,0,0,0|2,0,0]=4 1471 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,1,0,0,0,0|2,0,0]=4 1472 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,1,0,0,0,0|2,0,0]=4 1473 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,1,0,0,0,0|2,0,0]=4 1474 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,1,0,0,0,0|2,0,0]=4 1475 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,1,0,0,0,0|2,0,0]=4 1476 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,1,0,0,0,0|2,0,0]=4 1477 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,1,0,0,0,0|2,0,0]=4 1478 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,1,0,0,0,0|2,0,0]=4 1479 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,1,0,0,0,0|2,0,0]=4 1480 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,1,0,0,0,0|2,0,0]=4 1481 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,1,0,0,0,0|2,0,0]=4 1482 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|1,0,1]=4 1483 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1484 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1485 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,1,0,0,0,0|2,0,0]=4 1486 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,1,0,0,0,0|2,0,0]=4 1487 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,1,0,0,0,0|2,0,0]=4 1488 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,1,0,0,0,0|2,0,0]=4 1489 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1490 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,1,0,0,0,0|2,0,0]=4 1491 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,1,0,0,0,0|2,0,0]=4 1492 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,1,0,0,0,0|2,0,0]=4 1493 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|2,0,0]=4 1494 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|2,0,0]=4 1495 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,1,0,0,0,0|2,0,0]=4 1496 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,1,0,0,0,0|2,0,0]=4 1497 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|2,0,0]=4 1498 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|2,0,0]=4 1499 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1500 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1501 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [1,1,0,0,0,0|2,0,0]=4 1502 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [1,1,0,0,0,0|2,0,0]=4 1503 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|1,0,1]=4 1504 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,1]=4 1505 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|0,0,1]=3 1506 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,1,0,0,0,0|2,0,0]=4 1507 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,1,0,0,0,0|2,0,0]=4 1508 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,1,0,0,0,0|2,0,0]=4 1509 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,1,0,0,0,0|2,0,0]=4 1510 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,1,0,0,0,0|2,0,0]=4 1511 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,1,0,0,0,0|2,0,0]=4 1512 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [1,1,0,0,0,0|1,0,1]=4 1513 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [1,1,0,0,0,0|1,0,1]=4 1514 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [1,1,0,0,0,0|1,0,1]=4 1515 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|1,0,1]=4 1516 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|1,0,1]=4 1517 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,1,0,0,0,0|1,0,1]=4 1518 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,1,0,0,0,0|1,0,1]=4 1519 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,1,0,0,0,0|1,0,1]=4 1520 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,2]=4 1521 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 1522 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 1523 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 1524 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,1]=4 1525 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|0,0,1]=3 1526 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|0,0,1]=3 1527 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,1,0,0,0,0|2,0,0]=4 1528 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [1,1,0,0,0,0|1,0,1]=4 1529 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,1,0,0,0,0|0,0,2]=4 1530 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,1,0,0,0,0|0,0,2]=4 1531 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|1,0,0]=3 1532 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|1,0,0]=3 1533 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|1,0,0]=3 1534 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|0,0,0]=2 1535 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|0,0,0]=2 1536 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|0,0,0]=2 1537 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|0,0,0]=2 1538 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|2,0,0]=4 1539 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|2,0,0]=4 1540 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|2,0,0]=4 1541 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|1,0,0]=3 1542 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|2,0,0]=4 1543 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|2,0,0]=4 1544 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|1,0,0]=3 1545 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|1,0,0]=3 1546 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|2,0,0]=4 1547 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|2,0,0]=4 1548 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|2,0,0]=4 1549 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,1,0,0,0,0|1,0,0]=3 1550 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,1,0,0,0,0|2,0,0]=4 1551 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,1,0,0,0,0|2,0,0]=4 1552 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 1553 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 1554 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 1555 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,1]=4 1556 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,0]=3 1557 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,0]=3 1558 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|2,0,0]=4 1559 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|2,0,0]=4 1560 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|2,0,0]=4 1561 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|2,0,0]=4 1562 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|0,0,2]=4 1563 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|0,0,2]=4 1564 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|0,0,1]=3 1565 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,0]=3 1566 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,0]=3 1567 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,0]=3 1568 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,0]=3 1569 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|0,0,0]=2 1570 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|0,0,0]=2 1571 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|0,0,0]=2 1572 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [1,1,0,0,0,0|1,0,0]=3 1573 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [1,1,0,0,0,0|1,0,0]=3 1574 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|0,0,0]=2 1575 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|2,0,0]=4 1576 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|2,0,0]=4 1577 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|2,0,0]=4 1578 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|2,0,0]=4 1579 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|1,0,0]=3 1580 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [1,1,0,0,0,0|2,0,0]=4 1581 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [1,1,0,0,0,0|2,0,0]=4 1582 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|2,0,0]=4 1583 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|2,0,0]=4 1584 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|1,0,0]=3 1585 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|2,0,0]=4 1586 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|2,0,0]=4 1587 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|1,0,0]=3 1588 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|1,0,0]=3 1589 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [1,1,0,0,0,0|2,0,0]=4 1590 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [1,1,0,0,0,0|2,0,0]=4 1591 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|1,0,0]=3 1592 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|1,0,0]=3 1593 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1594 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,1,0,0,0,0|2,0,0]=4 1595 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1596 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,1,0,0,0,0|2,0,0]=4 1597 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1598 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1599 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|2,0,0]=4 1600 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|2,0,0]=4 1601 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|2,0,0]=4 1602 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|2,0,0]=4 1603 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|2,0,0]=4 1604 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|2,0,0]=4 1605 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|2,0,0]=4 1606 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|2,0,0]=4 1607 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 1608 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 1609 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,1,0,0,0,0|2,0,0]=4 1610 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,1,0,0,0,0|2,0,0]=4 1611 B6R0.4 FCNCC(F)F 34a_100000765723_100015361967 [1,1,0,0,0,0|2,0,0]=4 1612 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|1,0,1]=4 1613 B8R0.1 C#CCC(=O)NCCO 527a_100000210304_100011220946 [0,2,0,0,0,0|1,0,1]=4 1614 B8R0.1 C#CCC(C)OCCO 34a_100000685586_100000211926 [0,2,0,0,0,0|2,0,0]=4 1615 B8R0.1 C#CCC(C)OCCO 7a_100000685586_100000211926 [0,2,0,0,0,0|2,0,0]=4 1616 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,2,0,0,0,0|2,0,0]=4 1617 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,2,0,0,0,0|2,0,0]=4 1618 B8R0.1 C#CCCN(C)CCC 2230a_100000747261_100000688953 [0,2,0,0,0,0|2,0,0]=4 1619 B8R0.1 C#CCCN(C)CCC 269982a_100000747261_100000730999 [0,2,0,0,0,0|2,0,0]=4 1620 B8R0.1 C#CCCN(C)CCO 2230a_100000210263_100000688953 [0,2,0,0,0,0|1,0,0]=3 1621 B8R0.1 C#CCCN(C)CCO 269982a_100000210263_100000730999 [0,2,0,0,0,0|1,0,0]=3 1622 B8R0.1 C#CCN(C)CCCO 2230a_100000213112_100000038162 [0,2,0,0,0,0|1,0,1]=4 1623 B8R0.1 C#CCN(C)CCCO 2230a_100000225692_100000230001 [0,2,0,0,0,0|1,0,1]=4 1624 B8R0.1 C#CCN(C)CCCO 34a_100000225692_100000230001 [0,2,0,0,0,0|1,0,1]=4 1625 B8R0.1 C#CCN(C)CCOC 2230a_100000223814_200000210301 [0,2,0,0,0,0|1,0,1]=4 1626 B8R0.1 C#CCN(C)CCOC 2230a_100000225692_100011201679 [0,2,0,0,0,0|1,0,1]=4 1627 B8R0.1 C#CCN(C)CCOC 2230a_100000743101_100000038162 [0,2,0,0,0,0|1,0,1]=4 1628 B8R0.1 C#CCN(C)CCOC 34a_100000223814_200000210301 [0,2,0,0,0,0|1,0,1]=4 1629 B8R0.1 C#CCN(C)CCOC 34a_100000225692_100011201679 [0,2,0,0,0,0|1,0,1]=4 1630 B8R0.1 C#CCN([13CH3])CCOC 2230a_100000223814_200025704644 [0,2,0,0,0,0|1,0,1]=4 1631 B8R0.1 C#CCN([13CH3])CCOC 34a_100000223814_200025704644 [0,2,0,0,0,0|1,0,1]=4 1632 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [0,2,0,0,0,0|1,0,1]=4 1633 B8R0.1 C#CCNC(C)CCO 34a_100000212058_100009893172 [0,2,0,0,0,0|1,0,1]=4 1634 B8R0.1 C#CCNC(C)COC 34a_100000212058_100000765312 [0,2,0,0,0,0|1,0,1]=4 1635 B8R0.1 C#CCN[C@H](C)CCO 2230a_100000706166_100000038162 [0,2,0,0,0,0|1,0,1]=4 1636 B8R0.1 C#CCN[C@H](C)CCO 34a_100000706166_100000184674 [0,2,0,0,0,0|1,0,1]=4 1637 B8R0.1 C#CCN[C@H](C)COC 2230a_100000764878_100000038162 [0,2,0,0,0,0|1,0,1]=4 1638 B8R0.1 C/C=C/CN(C)CCO 269982a_100000210263_100102629194 [0,2,0,0,0,0|1,0,1]=4 1639 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,2,0,0,0,0|1,0,1]=4 1640 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,2,0,0,0,0|1,0,1]=4 1641 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,2,0,0,0,0|2,0,0]=4 1642 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,2,0,0,0,0|2,0,0]=4 1643 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,2,0,0,0,0|2,0,0]=4 1644 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,2,0,0,0,0|2,0,0]=4 1645 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,2,0,0,0,0|2,0,0]=4 1646 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,2,0,0,0,0|2,0,0]=4 1647 B8R0.1 C=CCCN(C)CCF 2230a_100020639649_100011217306 [0,2,0,0,0,0|2,0,0]=4 1648 B8R0.1 C=CCCN(C)CCF 269982a_100020639649_100011217306 [0,2,0,0,0,0|2,0,0]=4 1649 B8R0.1 C=CCCN(C)CCO 2230a_100000210263_100000754431 [0,2,0,0,0,0|1,0,0]=3 1650 B8R0.1 C=CCCN(C)CCO 2230a_100020639649_100000211926 [0,2,0,0,0,0|1,0,0]=3 1651 B8R0.1 C=CCCN(C)CCO 269982a_100000210263_100000754431 [0,2,0,0,0,0|1,0,0]=3 1652 B8R0.1 C=CCCN(C)CCO 269982a_100020639649_100000211926 [0,2,0,0,0,0|1,0,0]=3 1653 B8R0.1 C=CCN(C)CCCO 2230a_100000213112_100000210623 [0,2,0,0,0,0|1,0,1]=4 1654 B8R0.1 C=CCN(C)CCCO 2230a_100000225617_100000230001 [0,2,0,0,0,0|1,0,1]=4 1655 B8R0.1 C=CCN(C)CCCO 269982a_100000213112_100000210623 [0,2,0,0,0,0|1,0,1]=4 1656 B8R0.1 C=CCN(C)CCCO 269982a_100000225617_100011215043 [0,2,0,0,0,0|1,0,1]=4 1657 B8R0.1 C=CCN(C)CCOC 2230a_100000225617_100011201679 [0,2,0,0,0,0|1,0,1]=4 1658 B8R0.1 C=CCN(C)CCOC 2230a_100000743101_100000210623 [0,2,0,0,0,0|1,0,1]=4 1659 B8R0.1 C=CCN(C)CCOC 269982a_100000225617_100000233755 [0,2,0,0,0,0|1,0,1]=4 1660 B8R0.1 C=CCN(C)CCOC 269982a_100000743101_100000210623 [0,2,0,0,0,0|1,0,1]=4 1661 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,2,0,0,0,0|1,0,1]=4 1662 B8R0.1 C=CCNC(C)CCO 2230a_100020586998_100009893172 [0,2,0,0,0,0|1,0,1]=4 1663 B8R0.1 C=CCNC(C)COC 2230a_100020586998_100000765312 [0,2,0,0,0,0|1,0,1]=4 1664 B8R0.1 C=CCNC(C)COC 270004a_100020586998_100000749346 [0,2,0,0,0,0|1,0,1]=4 1665 B8R0.1 C=CCN[C@H](C)CCO 2230a_100000706166_100000210623 [0,2,0,0,0,0|1,0,1]=4 1666 B8R0.1 C=CCN[C@H](C)CCO 34a_100000706166_100015514636 [0,2,0,0,0,0|1,0,1]=4 1667 B8R0.1 C=CCN[C@H](C)COC 2230a_100000764878_100000210623 [0,2,0,0,0,0|1,0,1]=4 1668 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,2,0,0,0,0|2,0,0]=4 1669 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,2,0,0,0,0|2,0,0]=4 1670 B8R0.1 CC#CCN(C)CCO 2230a_100000210263_100000748600 [0,2,0,0,0,0|1,0,1]=4 1671 B8R0.1 CC(CC#N)NCCO 2230a_100016997473_100009813641 [0,2,0,0,0,0|1,0,0]=3 1672 B8R0.1 CC(CC#N)SCCO 62a_100000211926_100009813641 [0,2,0,0,0,0|2,0,0]=4 1673 B8R0.1 CC(CC#N)SCCO 62a_100009813641_100000211926 [0,2,0,0,0,0|2,0,0]=4 1674 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,2,0,0,0,0|2,0,0]=4 1675 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [0,2,0,0,0,0|1,0,0]=3 1676 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [0,2,0,0,0,0|0,0,0]=2 1677 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [0,2,0,0,0,0|0,0,0]=2 1678 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,2,0,0,0,0|2,0,0]=4 1679 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,2,0,0,0,0|2,0,0]=4 1680 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [0,2,0,0,0,0|2,0,0]=4 1681 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [0,2,0,0,0,0|2,0,0]=4 1682 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,2,0,0,0,0|1,0,0]=3 1683 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,2,0,0,0,0|1,0,0]=3 1684 B8R0.1 CC=CCN(C)CCO 2230a_100000210263_100000070051 [0,2,0,0,0,0|1,0,1]=4 1685 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,2,0,0,0,0|2,0,0]=4 1686 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,2,0,0,0,0|2,0,0]=4 1687 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,2,0,0,0,0|2,0,0]=4 1688 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,2,0,0,0,0|2,0,0]=4 1689 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,2,0,0,0,0|2,0,0]=4 1690 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,2,0,0,0,0|2,0,0]=4 1691 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,2,0,0,0,0|2,0,0]=4 1692 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,2,0,0,0,0|1,0,0]=3 1693 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,2,0,0,0,0|1,0,0]=3 1694 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,2,0,0,0,0|2,0,0]=4 1695 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,2,0,0,0,0|2,0,0]=4 1696 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,2,0,0,0,0|2,0,0]=4 1697 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,2,0,0,0,0|2,0,0]=4 1698 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,2,0,0,0,0|2,0,0]=4 1699 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,2,0,0,0,0|2,0,0]=4 1700 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,2,0,0,0,0|1,0,0]=3 1701 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,2,0,0,0,0|1,0,0]=3 1702 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,2,0,0,0,0|1,0,0]=3 1703 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,2,0,0,0,0|1,0,0]=3 1704 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,2,0,0,0,0|2,0,0]=4 1705 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,2,0,0,0,0|2,0,0]=4 1706 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,2,0,0,0,0|2,0,0]=4 1707 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,2,0,0,0,0|2,0,0]=4 1708 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,2,0,0,0,0|2,0,0]=4 1709 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,2,0,0,0,0|2,0,0]=4 1710 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,2,0,0,0,0|2,0,0]=4 1711 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,2,0,0,0,0|2,0,0]=4 1712 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,2,0,0,0,0|2,0,0]=4 1713 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,2,0,0,0,0|2,0,0]=4 1714 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,2,0,0,0,0|2,0,0]=4 1715 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,2,0,0,0,0|2,0,0]=4 1716 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,2,0,0,0,0|2,0,0]=4 1717 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,2,0,0,0,0|2,0,0]=4 1718 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,2,0,0,0,0|2,0,0]=4 1719 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,2,0,0,0,0|2,0,0]=4 1720 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,2,0,0,0,0|2,0,0]=4 1721 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,2,0,0,0,0|2,0,0]=4 1722 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,2,0,0,0,0|1,0,0]=3 1723 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,2,0,0,0,0|1,0,0]=3 1724 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,2,0,0,0,0|1,0,0]=3 1725 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,2,0,0,0,0|1,0,0]=3 1726 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,2,0,0,0,0|1,0,0]=3 1727 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,2,0,0,0,0|1,0,0]=3 1728 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,2,0,0,0,0|2,0,0]=4 1729 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,2,0,0,0,0|2,0,0]=4 1730 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,2,0,0,0,0|1,0,0]=3 1731 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,2,0,0,0,0|1,0,0]=3 1732 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,2,0,0,0,0|2,0,0]=4 1734 B8R0.1 CCCN(C)CCC#N 2230a_100000176855_200000210301 [0,2,0,0,0,0|2,0,0]=4 1735 B8R0.1 CCCN(C)CCC#N 2230a_100000184479_100000210303 [0,2,0,0,0,0|2,0,0]=4 1736 B8R0.1 CCCN(C)CCC#N 2230a_100000747261_100011215226 [0,2,0,0,0,0|2,0,0]=4 1737 B8R0.1 CCCN(C)CCC#N 269982a_100000747261_100011215226 [0,2,0,0,0,0|2,0,0]=4 1738 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,2,0,0,0,0|2,0,0]=4 1739 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,2,0,0,0,0|2,0,0]=4 1740 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,2,0,0,0,0|1,0,0]=3 1741 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,2,0,0,0,0|1,0,0]=3 1742 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,2,0,0,0,0|1,0,0]=3 1743 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,2,0,0,0,0|1,0,0]=3 1744 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,2,0,0,0,0|1,0,0]=3 1745 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,2,0,0,0,0|1,0,0]=3 1746 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,2,0,0,0,0|1,0,0]=3 1747 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,2,0,0,0,0|1,0,0]=3 1748 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,2,0,0,0,0|1,0,0]=3 1749 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,2,0,0,0,0|1,0,0]=3 1750 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,2,0,0,0,0|1,1,0]=4 1751 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,2,0,0,0,0|1,1,0]=4 1752 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,2,0,0,0,0|1,1,0]=4 1753 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,2,0,0,0,0|1,1,0]=4 1754 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,2,0,0,0,0|2,0,0]=4 1755 B8R0.1 CCCN([13CH3])CCC#N 2230a_100000176855_200025704644 [0,2,0,0,0,0|2,0,0]=4 1756 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,2,0,0,0,0|1,0,0]=3 1757 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,2,0,0,0,0|1,0,0]=3 1758 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 1759 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 1760 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 1761 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 1762 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,2,0,0,0,0|1,0,0]=3 1763 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,2,0,0,0,0|1,0,1]=4 1764 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,2,0,0,0,0|1,0,1]=4 1765 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,2,0,0,0,0|1,0,1]=4 1766 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,2,0,0,0,0|1,0,1]=4 1767 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,2,0,0,0,0|1,0,1]=4 1768 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,2,0,0,0,0|2,0,0]=4 1769 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,2,0,0,0,0|2,0,0]=4 1770 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,2,0,0,0,0|1,0,0]=3 1771 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,2,0,0,0,0|1,1,0]=4 1772 B8R0.1 CCCN[C@@H](C)CC#N 2230a_100016994482_100000210303 [0,2,0,0,0,0|2,0,0]=4 1773 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,2,0,0,0,0|1,0,0]=3 1774 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,2,0,0,0,0|1,0,0]=3 1775 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,2,0,0,0,0|1,0,0]=3 1776 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,2,0,0,0,0|2,0,0]=4 1777 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,2,0,0,0,0|2,0,0]=4 1778 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,2,0,0,0,0|2,0,0]=4 1779 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,2,0,0,0,0|2,0,0]=4 1780 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,2,0,0,0,0|2,0,0]=4 1781 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,2,0,0,0,0|2,0,0]=4 1782 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,2,0,0,0,0|2,0,0]=4 1783 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,2,0,0,0,0|2,0,0]=4 1784 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,2,0,0,0,0|2,0,0]=4 1785 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,2,0,0,0,0|1,0,1]=4 1786 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,2,0,0,0,0|1,0,1]=4 1787 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,2,0,0,0,0|1,0,1]=4 1788 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,2,0,0,0,0|1,0,1]=4 1789 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,2,0,0,0,0|2,0,0]=4 1790 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,2,0,0,0,0|2,0,0]=4 1791 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,2,0,0,0,0|1,0,0]=3 1792 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,2,0,0,0,0|2,0,0]=4 1793 B8R0.1 CN(CC#N)CCCO 2230a_100000213112_100011215382 [0,2,0,0,0,0|1,0,1]=4 1794 B8R0.1 CN(CC#N)CCCO 2230a_100000748184_100000230001 [0,2,0,0,0,0|1,0,1]=4 1795 B8R0.1 CN(CC#N)CCCO 269982a_100000213112_100011214920 [0,2,0,0,0,0|1,0,1]=4 1796 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,2,0,0,0,0|0,0,2]=4 1797 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,2,0,0,0,0|0,0,2]=4 1798 B8R0.1 CN(CCF)CCC#N 2230a_100000184479_100011217306 [0,2,0,0,0,0|2,0,0]=4 1799 B8R0.1 CN(CCF)CCCO 2230a_100000213112_100011217306 [0,2,0,0,0,0|1,0,0]=3 1800 B8R0.1 CN(CCF)CCCO 269982a_100000213112_100011217306 [0,2,0,0,0,0|1,0,0]=3 1801 B8R0.1 CN(CCO)CCC#N 2230a_100000184479_100000211926 [0,2,0,0,0,0|1,0,0]=3 1802 B8R0.1 CN(CCO)CCC#N 2230a_100000210263_100011215226 [0,2,0,0,0,0|1,0,0]=3 1803 B8R0.1 CN(CCO)CCC#N 269982a_100000210263_100011215226 [0,2,0,0,0,0|1,0,0]=3 1804 B8R0.1 CN(CCO)CCCF 2230a_100000210263_100011934791 [0,2,0,0,0,0|1,0,0]=3 1805 B8R0.1 CN(CCO)CCCF 269982a_100000210263_100011934791 [0,2,0,0,0,0|1,0,0]=3 1806 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [0,2,0,0,0,0|0,0,0]=2 1807 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [0,2,0,0,0,0|0,0,0]=2 1808 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [0,2,0,0,0,0|0,0,0]=2 1809 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [0,2,0,0,0,0|0,0,0]=2 1810 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [0,2,0,0,0,0|0,0,0]=2 1811 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [0,2,0,0,0,0|0,0,0]=2 1812 B8R0.1 CN(CCO)CSC#N 269982a_100000210263_100000211825 [0,2,0,0,0,0|1,0,1]=4 1813 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,2,0,0,0,0|2,0,0]=4 1814 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,2,0,0,0,0|2,0,0]=4 1815 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,2,0,0,0,0|1,0,1]=4 1816 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,2,0,0,0,0|1,0,1]=4 1817 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,2,0,0,0,0|1,0,1]=4 1818 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,2,0,0,0,0|1,0,1]=4 1819 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,2,0,0,0,0|1,0,1]=4 1820 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,2,0,0,0,0|0,0,1]=3 1821 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,2,0,0,0,0|0,0,1]=3 1822 B8R0.1 COCC(C)NCCF 34a_100000724931_100000765312 [0,2,0,0,0,0|1,0,0]=3 1823 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [0,2,0,0,0,0|0,0,0]=2 1824 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [0,2,0,0,0,0|0,0,0]=2 1825 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [0,2,0,0,0,0|0,0,0]=2 1826 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,2,0,0,0,0|2,0,0]=4 1827 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,2,0,0,0,0|2,0,0]=4 1828 B8R0.1 COCC(C)SCCF 62a_100000765312_100011217306 [0,2,0,0,0,0|2,0,0]=4 1829 B8R0.1 COCC(C)SCCF 62a_100011217306_100000765312 [0,2,0,0,0,0|2,0,0]=4 1830 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [0,2,0,0,0,0|1,0,0]=3 1831 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [0,2,0,0,0,0|1,0,0]=3 1832 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,2,0,0,0,0|2,0,0]=4 1833 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,2,0,0,0,0|1,0,0]=3 1834 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,2,0,0,0,0|1,0,0]=3 1835 B8R0.1 COCCN(C)CC#N 2230a_100000743101_100011215382 [0,2,0,0,0,0|1,0,1]=4 1836 B8R0.1 COCCN(C)CC#N 2230a_100000748184_100011201679 [0,2,0,0,0,0|1,0,1]=4 1837 B8R0.1 COCCN(C)CC#N 2230a_100011199603_200000210301 [0,2,0,0,0,0|1,0,1]=4 1838 B8R0.1 COCCN(C)CC#N 269982a_100000743101_100011214920 [0,2,0,0,0,0|1,0,1]=4 1839 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [0,2,0,0,0,0|0,0,2]=4 1840 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [0,2,0,0,0,0|0,0,2]=4 1841 B8R0.1 COCCN(C)CCF 2230a_100000743101_100011217306 [0,2,0,0,0,0|1,0,0]=3 1842 B8R0.1 COCCN(C)CCF 269982a_100000743101_100011217306 [0,2,0,0,0,0|1,0,0]=3 1843 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [0,2,0,0,0,0|0,0,0]=2 1844 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [0,2,0,0,0,0|0,0,0]=2 1845 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [0,2,0,0,0,0|0,0,0]=2 1846 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [0,2,0,0,0,0|0,0,0]=2 1847 B8R0.1 COCCN(C)COC 2230a_100000743101_100000766300 [0,2,0,0,0,0|2,0,0]=4 1848 B8R0.1 COCCN(C)COC 269982a_100000743101_100000766300 [0,2,0,0,0,0|2,0,0]=4 1849 B8R0.1 COCCN(C)CSC 2230a_100000743101_100011218213 [0,2,0,0,0,0|2,0,0]=4 1850 B8R0.1 COCCN(C)CSC 269982a_100000743101_100011218213 [0,2,0,0,0,0|2,0,0]=4 1851 B8R0.1 COCCN([13CH3])CC#N 2230a_100011199603_200025704644 [0,2,0,0,0,0|1,0,1]=4 1852 B8R0.1 COCN(C)CCCO 2230a_100000213112_100000766300 [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.1 COCN(C)CCCO 269982a_100000213112_100000766300 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [0,2,0,0,0,0|2,0,0]=4 1855 B8R0.1 COCN[C@H](C)COC 2230a_100000764878_100000766300 [0,2,0,0,0,0|2,0,0]=4 1856 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [0,2,0,0,0,0|2,0,0]=4 1857 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [0,2,0,0,0,0|2,0,0]=4 1858 B8R0.1 COC[C@@H](C)NCC#N 2230a_100000764878_100011215382 [0,2,0,0,0,0|1,0,1]=4 1859 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,2,0,0,0,0|0,0,2]=4 1860 B8R0.1 COC[C@@H](C)NCCF 2230a_100000764878_100011217306 [0,2,0,0,0,0|1,0,0]=3 1861 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [0,2,0,0,0,0|0,0,0]=2 1862 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [0,2,0,0,0,0|2,0,0]=4 1863 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,2,0,0,0,0|2,0,0]=4 1864 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,2,0,0,0,0|1,0,0]=3 1865 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,2,0,0,0,0|0,1,1]=4 1866 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,2,0,0,0,0|0,1,1]=4 1867 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [0,2,0,0,0,0|0,1,0]=3 1868 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|1,1,0]=4 1869 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|1,1,0]=4 1870 B8R0.1 CSCCN(C)CCF 2230a_100000686725_100011217306 [0,2,0,0,0,0|1,1,0]=4 1871 B8R0.1 CSCCN(C)CCF 269982a_100000686725_100011217306 [0,2,0,0,0,0|1,1,0]=4 1872 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [0,2,0,0,0,0|0,1,0]=3 1873 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [0,2,0,0,0,0|0,1,0]=3 1874 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [0,2,0,0,0,0|0,1,0]=3 1875 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [0,2,0,0,0,0|0,1,0]=3 1876 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [0,2,0,0,0,0|2,0,0]=4 1877 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [0,2,0,0,0,0|2,0,0]=4 1878 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [0,2,0,0,0,0|2,0,0]=4 1880 B8R0.1 C[C@@H](CC#N)NCCF 2230a_100016994482_100011217306 [0,2,0,0,0,0|2,0,0]=4 1881 B8R0.1 C[C@@H](CC#N)NCCO 2230a_100016994482_100000211926 [0,2,0,0,0,0|1,0,0]=3 1882 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,2,0,0,0,0|2,0,0]=4 1883 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,2,0,0,0,0|2,0,0]=4 1884 B8R0.1 C[C@H](CCO)NCC#N 2230a_100000706166_100011215382 [0,2,0,0,0,0|1,0,1]=4 1885 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,2,0,0,0,0|0,0,2]=4 1886 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|0,0,2]=4 1887 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [0,2,0,0,0,0|1,0,0]=3 1888 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [0,2,0,0,0,0|1,0,0]=3 1889 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [0,2,0,0,0,0|0,0,0]=2 1890 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [0,2,0,0,0,0|0,0,0]=2 1891 B8R0.1 N#CCC(=O)NCCO 240690a_100000210304_100051588842 [0,2,0,0,0,0|1,0,1]=4 1892 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,2,0,0,0,0|2,0,0]=4 1893 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,2,0,0,0,0|2,0,0]=4 1894 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [0,2,0,0,0,0|1,0,1]=4 1895 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,2,0,0,0,0|2,0,0]=4 1896 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,2,0,0,0,0|1,0,0]=3 1897 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,2,0,0,0,0|1,0,0]=3 1898 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,2,0,0,0,0|0,0,0]=2 1899 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [0,2,0,0,0,0|0,0,0]=2 1900 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [0,2,0,0,0,0|0,0,0]=2 1901 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [0,2,0,0,0,0|2,0,0]=4 1902 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [0,2,0,0,0,0|2,0,0]=4 1904 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [0,2,0,0,0,0|2,0,0]=4 1905 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [0,2,0,0,0,0|2,0,0]=4 1906 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.4 C#CCCCNCCF 34a_100000718082_100011217306 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.4 C#CCCCNCCF 34a_100000724931_100000695029 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [0,2,0,0,0,0|1,0,0]=3 1910 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [0,2,0,0,0,0|1,0,0]=3 1911 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [0,2,0,0,0,0|1,0,0]=3 1912 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [0,2,0,0,0,0|2,0,0]=4 1914 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [0,2,0,0,0,0|2,0,0]=4 1915 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [0,2,0,0,0,0|2,0,0]=4 1916 B8R0.4 C#CCCNCCC#C 34a_100000755551_100000688953 [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.4 C#CCCNCCC=C 2230a_100015191253_100000688953 [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.4 C#CCCNCCC=C 34a_100000755551_100000754431 [0,2,0,0,0,0|2,0,0]=4 1919 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [0,2,0,0,0,0|2,0,0]=4 1920 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [0,2,0,0,0,0|2,0,0]=4 1921 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [0,2,0,0,0,0|2,0,0]=4 1922 B8R0.4 C#CCCNCCCF 2230a_100015189416_100000688953 [0,2,0,0,0,0|2,0,0]=4 1923 B8R0.4 C#CCCNCCCF 34a_100000755551_100011934791 [0,2,0,0,0,0|2,0,0]=4 1924 B8R0.4 C#CCCNCCCF 34a_100015189416_100000688953 [0,2,0,0,0,0|2,0,0]=4 1925 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [0,2,0,0,0,0|1,0,0]=3 1926 B8R0.4 C#CCCNCCOC 2230a_100000209980_100000688953 [0,2,0,0,0,0|1,0,0]=3 1927 B8R0.4 C#CCCNCCOC 34a_100000755551_100011201679 [0,2,0,0,0,0|1,0,0]=3 1928 B8R0.4 C#CCCNCCSC 2230a_100020590264_100000688953 [0,2,0,0,0,0|1,1,0]=4 1929 B8R0.4 C#CCCNCCSC 34a_100000755551_100000212216 [0,2,0,0,0,0|1,1,0]=4 1930 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [0,2,0,0,0,0|2,0,0]=4 1931 B8R0.4 C#CCCOCCOC 34a_100000210237_100000688953 [0,2,0,0,0,0|2,0,0]=4 1932 B8R0.4 C#CCCOCCOC 34a_100011215631_100011201679 [0,2,0,0,0,0|2,0,0]=4 1933 B8R0.4 C#CCCOCCON 34a_100000700252_100000688953 [0,2,0,0,0,0|2,0,0]=4 1934 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [0,2,0,0,0,0|2,0,0]=4 1935 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [0,2,0,0,0,0|2,0,0]=4 1936 B8R0.4 C#CCCSCCOC 62a_100000233755_100000688953 [0,2,0,0,0,0|2,0,0]=4 1937 B8R0.4 C#CCCSCCOC 62a_100000688953_100000233755 [0,2,0,0,0,0|2,0,0]=4 1938 B8R0.4 C#CCNCC#CCO 34a_100000212058_200000047223 [0,2,0,0,0,0|1,0,1]=4 1939 B8R0.4 C#CCNCCCCO 2230a_100000750430_100000038162 [0,2,0,0,0,0|1,0,1]=4 1940 B8R0.4 C#CCNCCCCO 34a_100000212058_100011216708 [0,2,0,0,0,0|1,0,1]=4 1941 B8R0.4 C#CCNCCCCO 34a_100000750430_100000184674 [0,2,0,0,0,0|1,0,1]=4 1942 B8R0.4 C#CCNCCCOC 34a_100000212058_100000740836 [0,2,0,0,0,0|1,0,1]=4 1943 B8R0.4 C#CCNCCCOC 34a_100150723488_100000184674 [0,2,0,0,0,0|1,0,1]=4 1944 B8R0.4 C#CCNCCOC=C 34a_100000212058_100000039644 [0,2,0,0,0,0|1,0,1]=4 1945 B8R0.4 C#CCNCCOCC 2230a_102516460346_100000038162 [0,2,0,0,0,0|1,0,1]=4 1946 B8R0.4 C#CCNCCOCC 34a_100000212058_100000210147 [0,2,0,0,0,0|1,0,1]=4 1947 B8R0.4 C#CCNCCOCC 34a_102516460346_100000184674 [0,2,0,0,0,0|1,0,1]=4 1948 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [0,2,0,0,0,0|2,0,0]=4 1949 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [0,2,0,0,0,0|2,0,0]=4 1950 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [0,2,0,0,0,0|2,0,0]=4 1951 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,2,0,0,0,0|2,0,0]=4 1952 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,2,0,0,0,0|2,0,0]=4 1953 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,2,0,0,0,0|2,0,0]=4 1954 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,2,0,0,0,0|2,0,0]=4 1955 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,2,0,0,0,0|2,0,0]=4 1956 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,2,0,0,0,0|2,0,0]=4 1957 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,2,0,0,0,0|2,0,0]=4 1958 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [0,2,0,0,0,0|2,0,0]=4 1959 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [0,2,0,0,0,0|2,0,0]=4 1960 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [0,2,0,0,0,0|2,0,0]=4 1961 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,2,0,0,0,0|1,0,0]=3 1962 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,2,0,0,0,0|1,0,0]=3 1963 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,2,0,0,0,0|1,0,0]=3 1964 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,2,0,0,0,0|1,0,0]=3 1965 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,2,0,0,0,0|2,0,0]=4 1967 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,2,0,0,0,0|2,0,0]=4 1968 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,2,0,0,0,0|2,0,0]=4 1969 B8R0.4 C=CCCNCCC#N 2230a_100015191253_100011215226 [0,2,0,0,0,0|2,0,0]=4 1970 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [0,2,0,0,0,0|2,0,0]=4 1971 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,2,0,0,0,0|2,0,0]=4 1972 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,2,0,0,0,0|2,0,0]=4 1974 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [0,2,0,0,0,0|2,0,0]=4 1975 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [0,2,0,0,0,0|2,0,0]=4 1976 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [0,2,0,0,0,0|2,0,0]=4 1977 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,2,0,0,0,0|1,0,0]=3 1978 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [0,2,0,0,0,0|1,0,0]=3 1979 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [0,2,0,0,0,0|1,0,0]=3 1980 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,2,0,0,0,0|1,1,0]=4 1981 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,2,0,0,0,0|1,1,0]=4 1982 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [0,2,0,0,0,0|2,0,0]=4 1984 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [0,2,0,0,0,0|2,0,0]=4 1985 B8R0.4 C=CCCOCCON 34a_100000700252_100000754431 [0,2,0,0,0,0|2,0,0]=4 1986 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,2,0,0,0,0|2,0,0]=4 1987 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,2,0,0,0,0|2,0,0]=4 1988 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,2,0,0,0,0|2,0,0]=4 1989 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,2,0,0,0,0|2,0,0]=4 1990 B8R0.4 C=CCNCC#CCO 2230a_100020586998_200000047223 [0,2,0,0,0,0|1,0,1]=4 1991 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [0,2,0,0,0,0|1,0,1]=4 1992 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [0,2,0,0,0,0|1,0,1]=4 1993 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [0,2,0,0,0,0|1,0,1]=4 1994 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [0,2,0,0,0,0|1,0,1]=4 1995 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [0,2,0,0,0,0|1,0,1]=4 1996 B8R0.4 C=CCNCCOC=C 2230a_100020586998_100000039644 [0,2,0,0,0,0|1,0,1]=4 1997 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [0,2,0,0,0,0|1,0,1]=4 1998 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [0,2,0,0,0,0|1,0,1]=4 1999 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [0,2,0,0,0,0|1,0,1]=4 2000 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,2,0,0,0,0|2,0,0]=4 2001 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,2,0,0,0,0|2,0,0]=4 2002 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.4 C=COCCNCCF 34a_100000724931_100000039644 [0,2,0,0,0,0|1,0,0]=3 2004 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [0,2,0,0,0,0|0,0,0]=2 2005 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [0,2,0,0,0,0|0,0,0]=2 2006 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [0,2,0,0,0,0|2,0,0]=4 2007 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,2,0,0,0,0|2,0,0]=4 2008 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,2,0,0,0,0|2,0,0]=4 2009 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [0,2,0,0,0,0|2,0,0]=4 2010 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [0,2,0,0,0,0|2,0,0]=4 2011 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [0,2,0,0,0,0|1,0,0]=3 2012 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,2,0,0,0,0|2,0,0]=4 2013 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,2,0,0,0,0|2,0,0]=4 2014 B8R0.4 C=COCCSCCF 62a_100000039644_100011217306 [0,2,0,0,0,0|2,0,0]=4 2015 B8R0.4 C=COCCSCCF 62a_100011217306_100000039644 [0,2,0,0,0,0|2,0,0]=4 2016 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [0,2,0,0,0,0|1,0,0]=3 2017 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [0,2,0,0,0,0|1,0,0]=3 2018 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [0,2,0,0,0,0|2,0,0]=4 2019 B8R0.4 CC#CCNCCCO 2230a_100000685387_100000230001 [0,2,0,0,0,0|1,0,1]=4 2020 B8R0.4 CC#CCNCCCO 34a_100000685387_100000230001 [0,2,0,0,0,0|1,0,1]=4 2021 B8R0.4 CC#CCNCCOC 2230a_100000209980_100000748600 [0,2,0,0,0,0|1,0,1]=4 2022 B8R0.4 CC#CCNCCOC 2230a_100000685387_100011201679 [0,2,0,0,0,0|1,0,1]=4 2023 B8R0.4 CC#CCNCCOC 34a_100000685387_100011201679 [0,2,0,0,0,0|1,0,1]=4 2024 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [0,2,0,0,0,0|2,0,0]=4 2025 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [0,2,0,0,0,0|1,0,0]=3 2026 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [0,2,0,0,0,0|1,0,0]=3 2027 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [0,2,0,0,0,0|2,0,0]=4 2028 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [0,2,0,0,0,0|2,0,0]=4 2029 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [0,2,0,0,0,0|2,0,0]=4 2030 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [0,2,0,0,0,0|1,0,1]=4 2031 B8R0.4 CCC#CCNCCF 34a_100000724931_100009813939 [0,2,0,0,0,0|2,0,0]=4 2032 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [0,2,0,0,0,0|1,0,0]=3 2033 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [0,2,0,0,0,0|1,0,0]=3 2034 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [0,2,0,0,0,0|2,0,0]=4 2035 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [0,2,0,0,0,0|2,0,0]=4 2036 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [0,2,0,0,0,0|2,0,0]=4 2037 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [0,2,0,0,0,0|2,0,0]=4 2038 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [0,2,0,0,0,0|2,0,0]=4 2039 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [0,2,0,0,0,0|2,0,0]=4 2040 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [0,2,0,0,0,0|2,0,0]=4 2041 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [0,2,0,0,0,0|2,0,0]=4 2042 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [0,2,0,0,0,0|1,0,0]=3 2043 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,2,0,0,0,0|2,0,0]=4 2044 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,2,0,0,0,0|2,0,0]=4 2045 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,2,0,0,0,0|2,0,0]=4 2046 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,2,0,0,0,0|2,0,0]=4 2047 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,2,0,0,0,0|2,0,0]=4 2048 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,2,0,0,0,0|2,0,0]=4 2049 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,2,0,0,0,0|2,0,0]=4 2050 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,2,0,0,0,0|2,0,0]=4 2051 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,2,0,0,0,0|2,0,0]=4 2052 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,2,0,0,0,0|2,0,0]=4 2053 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,2,0,0,0,0|2,0,0]=4 2054 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,2,0,0,0,0|2,0,0]=4 2055 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,2,0,0,0,0|2,0,0]=4 2056 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,2,0,0,0,0|1,0,0]=3 2057 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,2,0,0,0,0|1,0,0]=3 2058 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,2,0,0,0,0|1,0,0]=3 2059 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,2,0,0,0,0|2,0,0]=4 2060 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [0,2,0,0,0,0|2,0,0]=4 2061 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [0,2,0,0,0,0|2,0,0]=4 2062 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,2,0,0,0,0|2,0,0]=4 2063 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,2,0,0,0,0|2,0,0]=4 2064 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,2,0,0,0,0|2,0,0]=4 2065 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,2,0,0,0,0|2,0,0]=4 2066 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [0,2,0,0,0,0|2,0,0]=4 2067 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [0,2,0,0,0,0|2,0,0]=4 2068 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,2,0,0,0,0|2,0,0]=4 2069 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,2,0,0,0,0|2,0,0]=4 2070 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,2,0,0,0,0|2,0,0]=4 2071 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,2,0,0,0,0|2,0,0]=4 2072 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,2,0,0,0,0|2,0,0]=4 2073 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,2,0,0,0,0|2,0,0]=4 2074 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,2,0,0,0,0|1,0,0]=3 2075 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,2,0,0,0,0|1,0,0]=3 2076 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,2,0,0,0,0|1,0,0]=3 2077 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,2,0,0,0,0|1,0,0]=3 2078 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,2,0,0,0,0|1,0,0]=3 2079 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,2,0,0,0,0|1,1,0]=4 2080 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,2,0,0,0,0|1,1,0]=4 2081 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,2,0,0,0,0|1,1,0]=4 2082 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,2,0,0,0,0|2,0,0]=4 2083 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,2,0,0,0,0|2,0,0]=4 2084 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [0,2,0,0,0,0|2,0,0]=4 2085 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [0,2,0,0,0,0|2,0,0]=4 2086 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [0,2,0,0,0,0|2,0,0]=4 2087 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [0,2,0,0,0,0|2,0,0]=4 2088 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [0,2,0,0,0,0|2,0,0]=4 2089 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [0,2,0,0,0,0|2,0,0]=4 2090 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [0,2,0,0,0,0|2,0,0]=4 2091 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [0,2,0,0,0,0|2,0,0]=4 2092 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [0,2,0,0,0,0|2,0,0]=4 2093 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,2,0,0,0,0|2,0,0]=4 2094 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,2,0,0,0,0|2,0,0]=4 2095 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,2,0,0,0,0|2,0,0]=4 2096 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,2,0,0,0,0|2,0,0]=4 2097 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,2,0,0,0,0|2,0,0]=4 2098 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,2,0,0,0,0|2,0,0]=4 2099 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,2,0,0,0,0|2,0,0]=4 2100 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,2,0,0,0,0|2,0,0]=4 2101 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,2,0,0,0,0|1,0,0]=3 2102 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,2,0,0,0,0|1,0,0]=3 2103 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,2,0,0,0,0|1,0,0]=3 2104 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,2,0,0,0,0|1,1,0]=4 2105 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,2,0,0,0,0|1,0,0]=3 2106 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,2,0,0,0,0|1,0,0]=3 2107 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,2,0,0,0,0|1,1,0]=4 2108 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [0,2,0,0,0,0|2,0,0]=4 2109 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [0,2,0,0,0,0|2,0,0]=4 2110 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,2,0,0,0,0|2,0,0]=4 2111 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,2,0,0,0,0|2,0,0]=4 2112 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [0,2,0,0,0,0|2,0,0]=4 2113 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [0,2,0,0,0,0|2,0,0]=4 2114 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [0,2,0,0,0,0|2,0,0]=4 2115 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [0,2,0,0,0,0|2,0,0]=4 2116 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [0,2,0,0,0,0|2,0,0]=4 2117 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [0,2,0,0,0,0|2,0,0]=4 2118 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [0,2,0,0,0,0|2,0,0]=4 2119 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [0,2,0,0,0,0|2,0,0]=4 2120 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [0,2,0,0,0,0|2,0,0]=4 2121 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [0,2,0,0,0,0|2,0,0]=4 2122 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,2,0,0,0,0|2,0,0]=4 2123 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,2,0,0,0,0|2,0,0]=4 2124 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,2,0,0,0,0|2,0,0]=4 2127 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,2,0,0,0,0|2,0,0]=4 2128 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,2,0,0,0,0|2,0,0]=4 2129 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,2,0,0,0,0|2,0,0]=4 2130 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,2,0,0,0,0|2,0,0]=4 2131 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,2,0,0,0,0|2,0,0]=4 2132 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,2,0,0,0,0|2,0,0]=4 2133 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,2,0,0,0,0|2,0,0]=4 2134 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,2,0,0,0,0|2,0,0]=4 2135 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,2,0,0,0,0|2,0,0]=4 2136 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [0,2,0,0,0,0|2,0,0]=4 2137 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [0,2,0,0,0,0|2,0,0]=4 2138 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [0,2,0,0,0,0|2,0,0]=4 2139 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [0,2,0,0,0,0|2,0,0]=4 2140 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [0,2,0,0,0,0|2,0,0]=4 2141 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [0,2,0,0,0,0|2,0,0]=4 2142 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [0,2,0,0,0,0|2,0,0]=4 2143 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,2,0,0,0,0|2,0,0]=4 2144 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,2,0,0,0,0|2,0,0]=4 2145 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [0,2,0,0,0,0|2,0,0]=4 2147 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [0,2,0,0,0,0|2,0,0]=4 2148 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,2,0,0,0,0|2,0,0]=4 2149 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,2,0,0,0,0|1,0,0]=3 2150 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.4 CCOCCNCC#N 2230a_102516460346_100011215382 [0,2,0,0,0,0|1,0,1]=4 2153 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,2,0,0,0,0|0,0,2]=4 2154 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,2,0,0,0,0|0,0,2]=4 2155 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [0,2,0,0,0,0|1,0,0]=3 2156 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [0,2,0,0,0,0|1,0,0]=3 2157 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [0,2,0,0,0,0|1,0,0]=3 2158 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [0,2,0,0,0,0|0,0,0]=2 2159 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [0,2,0,0,0,0|0,0,0]=2 2160 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [0,2,0,0,0,0|0,0,0]=2 2161 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [0,2,0,0,0,0|0,0,0]=2 2162 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [0,2,0,0,0,0|2,0,0]=4 2163 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [0,2,0,0,0,0|2,0,0]=4 2164 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [0,2,0,0,0,0|2,0,0]=4 2165 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [0,2,0,0,0,0|2,0,0]=4 2166 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [0,2,0,0,0,0|2,0,0]=4 2167 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [0,2,0,0,0,0|2,0,0]=4 2168 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [0,2,0,0,0,0|2,0,0]=4 2169 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [0,2,0,0,0,0|2,0,0]=4 2170 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [0,2,0,0,0,0|2,0,0]=4 2171 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [0,2,0,0,0,0|2,0,0]=4 2172 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [0,2,0,0,0,0|2,0,0]=4 2173 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [0,2,0,0,0,0|2,0,0]=4 2174 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [0,2,0,0,0,0|2,0,0]=4 2176 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [0,2,0,0,0,0|2,0,0]=4 2177 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [0,2,0,0,0,0|2,0,0]=4 2178 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [0,2,0,0,0,0|1,0,0]=3 2179 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [0,2,0,0,0,0|1,0,0]=3 2180 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [0,2,0,0,0,0|1,0,0]=3 2181 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [0,2,0,0,0,0|2,0,0]=4 2182 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [0,2,0,0,0,0|2,0,0]=4 2183 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,2,0,0,0,0|1,0,0]=3 2184 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,2,0,0,0,0|1,0,0]=3 2185 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,2,0,0,0,0|2,0,0]=4 2186 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,2,0,0,0,0|2,0,0]=4 2187 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,2,0,0,0,0|2,0,0]=4 2188 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,2,0,0,0,0|2,0,0]=4 2189 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,2,0,0,0,0|1,1,0]=4 2190 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,2,0,0,0,0|1,1,0]=4 2191 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,2,0,0,0,0|2,0,0]=4 2192 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,2,0,0,0,0|2,0,0]=4 2193 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [0,2,0,0,0,0|1,1,0]=4 2194 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [0,2,0,0,0,0|1,1,0]=4 2195 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [0,2,0,0,0,0|0,1,0]=3 2196 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [0,2,0,0,0,0|0,1,0]=3 2197 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [0,2,0,0,0,0|0,1,0]=3 2198 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [0,2,0,0,0,0|1,1,0]=4 2199 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [0,2,0,0,0,0|1,1,0]=4 2200 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [0,2,0,0,0,0|1,1,0]=4 2201 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [0,2,0,0,0,0|1,1,0]=4 2202 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,2,0,0,0,0|1,1,0]=4 2203 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,2,0,0,0,0|1,1,0]=4 2204 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [0,2,0,0,0,0|2,0,0]=4 2205 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [0,2,0,0,0,0|2,0,0]=4 2206 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,2,0,0,0,0|2,0,0]=4 2207 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,2,0,0,0,0|2,0,0]=4 2208 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,2,0,0,0,0|2,0,0]=4 2209 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,2,0,0,0,0|2,0,0]=4 2210 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,2,0,0,0,0|2,0,0]=4 2211 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,2,0,0,0,0|2,0,0]=4 2212 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,2,0,0,0,0|2,0,0]=4 2213 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,2,0,0,0,0|2,0,0]=4 2214 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,2,0,0,0,0|2,0,0]=4 2215 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [0,2,0,0,0,0|2,0,0]=4 2216 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [0,2,0,0,0,0|2,0,0]=4 2217 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [0,2,0,0,0,0|2,0,0]=4 2218 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [0,2,0,0,0,0|2,0,0]=4 2219 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [0,2,0,0,0,0|2,0,0]=4 2220 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [0,2,0,0,0,0|2,0,0]=4 2221 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [0,2,0,0,0,0|2,0,0]=4 2222 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [0,2,0,0,0,0|2,0,0]=4 2223 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,2,0,0,0,0|2,0,0]=4 2224 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,2,0,0,0,0|2,0,0]=4 2225 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,2,0,0,0,0|2,0,0]=4 2226 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,2,0,0,0,0|2,0,0]=4 2227 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,2,0,0,0,0|2,0,0]=4 2228 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,2,0,0,0,0|2,0,0]=4 2229 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,2,0,0,0,0|2,0,0]=4 2230 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,2,0,0,0,0|2,0,0]=4 2231 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,2,0,0,0,0|1,0,0]=3 2232 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,2,0,0,0,0|2,0,0]=4 2233 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,2,0,0,0,0|2,0,0]=4 2234 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,2,0,0,0,0|2,0,0]=4 2235 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,2,0,0,0,0|2,0,0]=4 2236 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,2,0,0,0,0|2,0,0]=4 2237 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,2,0,0,0,0|0,0,2]=4 2238 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [0,2,0,0,0,0|1,0,0]=3 2239 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [0,2,0,0,0,0|1,0,0]=3 2240 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,2,0,0,0,0|0,0,0]=2 2241 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,2,0,0,0,0|0,0,0]=2 2242 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,2,0,0,0,0|0,0,0]=2 2243 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,2,0,0,0,0|2,0,0]=4 2244 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [0,2,0,0,0,0|2,0,0]=4 2245 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [0,2,0,0,0,0|2,0,0]=4 2246 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [0,2,0,0,0,0|2,0,0]=4 2247 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [0,2,0,0,0,0|1,0,0]=3 2248 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,2,0,0,0,0|2,0,0]=4 2249 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,2,0,0,0,0|2,0,0]=4 2250 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,2,0,0,0,0|1,0,0]=3 2251 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,2,0,0,0,0|1,0,0]=3 2252 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,2,0,0,0,0|2,0,0]=4 2253 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,2,0,0,0,0|2,0,0]=4 2254 B8R0.4 COCCNCCC#N 2230a_100000209980_100011215226 [0,2,0,0,0,0|1,0,0]=3 2255 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [0,2,0,0,0,0|1,0,0]=3 2256 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [0,2,0,0,0,0|1,0,0]=3 2257 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [0,2,0,0,0,0|1,0,0]=3 2258 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,2,0,0,0,0|0,0,0]=2 2259 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [0,2,0,0,0,0|0,0,0]=2 2260 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,2,0,0,0,0|0,1,0]=3 2261 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,2,0,0,0,0|0,1,0]=3 2262 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [0,2,0,0,0,0|2,0,0]=4 2263 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [0,2,0,0,0,0|2,0,0]=4 2264 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [0,2,0,0,0,0|2,0,0]=4 2265 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [0,2,0,0,0,0|2,0,0]=4 2266 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [0,2,0,0,0,0|2,0,0]=4 2267 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [0,2,0,0,0,0|1,0,0]=3 2268 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [0,2,0,0,0,0|2,0,0]=4 2269 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [0,2,0,0,0,0|2,0,0]=4 2270 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [0,2,0,0,0,0|1,0,0]=3 2271 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [0,2,0,0,0,0|1,0,0]=3 2272 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [0,2,0,0,0,0|1,0,0]=3 2273 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [0,2,0,0,0,0|1,0,0]=3 2274 B8R0.4 COCCOCCON 34a_100000700252_100011201679 [0,2,0,0,0,0|1,0,0]=3 2275 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [0,2,0,0,0,0|1,0,0]=3 2276 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [0,2,0,0,0,0|1,0,0]=3 2277 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [0,2,0,0,0,0|1,1,0]=4 2278 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [0,2,0,0,0,0|1,1,0]=4 2279 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [0,2,0,0,0,0|1,1,0]=4 2280 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [0,2,0,0,0,0|1,1,0]=4 2281 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [0,2,0,0,0,0|1,1,0]=4 2282 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [0,2,0,0,0,0|1,1,0]=4 2283 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [0,2,0,0,0,0|1,1,0]=4 2284 B8R0.4 COCCOCSCF 62a_100000231047_100015361967 [0,2,0,0,0,0|2,0,0]=4 2285 B8R0.4 COCCOCSCF 62a_100015361967_100000231047 [0,2,0,0,0,0|2,0,0]=4 2286 B8R0.4 COCCSCCC#N 62a_100000233755_100011215226 [0,2,0,0,0,0|2,0,0]=4 2287 B8R0.4 COCCSCCC#N 62a_100011215226_100000233755 [0,2,0,0,0,0|2,0,0]=4 2288 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,2,0,0,0,0|2,0,0]=4 2289 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,2,0,0,0,0|2,0,0]=4 2290 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,2,0,0,0,0|1,0,0]=3 2291 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,2,0,0,0,0|1,0,0]=3 2292 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [0,2,0,0,0,0|1,0,0]=3 2293 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,2,0,0,0,0|1,1,0]=4 2294 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,2,0,0,0,0|1,1,0]=4 2295 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [0,2,0,0,0,0|1,0,0]=3 2296 B8R0.4 COCSCC#CCO 62a_100000766300_200000047223 [0,2,0,0,0,0|1,0,1]=4 2297 B8R0.4 COCSCC#CCO 62a_200000047223_100000766300 [0,2,0,0,0,0|1,0,1]=4 2298 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [0,2,0,0,0,0|2,0,0]=4 2299 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [0,2,0,0,0,0|2,0,0]=4 2300 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,2,0,0,0,0|1,0,0]=3 2301 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,2,0,0,0,0|1,0,0]=3 2302 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,2,0,0,0,0|1,1,0]=4 2303 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,2,0,0,0,0|1,1,0]=4 2304 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,2,0,0,0,0|1,1,0]=4 2305 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,2,0,0,0,0|0,1,0]=3 2306 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,2,0,0,0,0|1,1,0]=4 2307 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,2,0,0,0,0|1,1,0]=4 2308 B8R0.4 CSCCNCCC#N 2230a_100020590264_100011215226 [0,2,0,0,0,0|1,1,0]=4 2309 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,2,0,0,0,0|1,1,0]=4 2310 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,2,0,0,0,0|1,1,0]=4 2311 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,2,0,0,0,0|1,1,0]=4 2312 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,2,0,0,0,0|0,1,0]=3 2313 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,2,0,0,0,0|0,2,0]=4 2314 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,2,0,0,0,0|1,1,0]=4 2315 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,2,0,0,0,0|1,1,0]=4 2316 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [0,2,0,0,0,0|1,1,0]=4 2317 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,2,0,0,0,0|1,1,0]=4 2318 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,2,0,0,0,0|1,1,0]=4 2319 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,2,0,0,0,0|1,1,0]=4 2320 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,2,0,0,0,0|1,1,0]=4 2321 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,2,0,0,0,0|1,1,0]=4 2322 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,2,0,0,0,0|1,1,0]=4 2323 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [0,2,0,0,0,0|2,0,0]=4 2324 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [0,2,0,0,0,0|2,0,0]=4 2325 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [0,2,0,0,0,0|2,0,0]=4 2326 B8R0.4 FCCOCCOCF 34a_200015357709_100015361967 [0,2,0,0,0,0|2,0,0]=4 2327 B8R0.4 FCCOCCOCF 7a_200015357709_100015361967 [0,2,0,0,0,0|2,0,0]=4 2328 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [0,2,0,0,0,0|2,0,0]=4 2329 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [0,2,0,0,0,0|2,0,0]=4 2330 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [0,2,0,0,0,0|2,0,0]=4 2331 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [0,2,0,0,0,0|2,0,0]=4 2332 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [0,2,0,0,0,0|2,0,0]=4 2333 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [0,2,0,0,0,0|2,0,0]=4 2334 B8R0.4 FCOCCOCCBr 34a_100000692535_100015361967 [0,2,0,0,0,0|2,0,0]=4 2335 B8R0.4 FCOCCOCCBr 7a_100000692535_100015361967 [0,2,0,0,0,0|2,0,0]=4 2336 B8R0.4 FCOCCOCCCl 34a_100011215305_100015361967 [0,2,0,0,0,0|2,0,0]=4 2337 B8R0.4 FCOCCOCCCl 7a_100011215305_100015361967 [0,2,0,0,0,0|2,0,0]=4 2338 B8R0.4 FCOCCOCCI 34a_100012149058_100015361967 [0,2,0,0,0,0|2,0,0]=4 2339 B8R0.4 FCOCCOCCI 7a_100012149058_100015361967 [0,2,0,0,0,0|2,0,0]=4 2340 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [0,2,0,0,0,0|1,0,0]=3 2341 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [0,2,0,0,0,0|2,0,0]=4 2342 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [0,2,0,0,0,0|2,0,0]=4 2343 B8R0.4 N#CCCNCCCF 2230a_100015189416_100011215226 [0,2,0,0,0,0|2,0,0]=4 2344 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [0,2,0,0,0,0|2,0,0]=4 2345 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [0,2,0,0,0,0|2,0,0]=4 2346 B8R0.4 N#CCNCCCCO 2230a_100000750430_100011215382 [0,2,0,0,0,0|1,0,1]=4 2347 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [0,2,0,0,0,0|2,0,0]=4 2348 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [0,2,0,0,0,0|2,0,0]=4 2349 B8R0.4 N#CSCCSCCO 62a_100000034367_100000211926 [0,2,0,0,0,0|1,1,0]=4 2350 B8R0.4 N#CSCCSCCO 62a_100000211926_100000034367 [0,2,0,0,0,0|1,1,0]=4 2351 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [0,2,0,0,0,0|2,0,0]=4 2352 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [0,2,0,0,0,0|2,0,0]=4 2353 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [0,2,0,0,0,0|2,0,0]=4 2354 B8R0.4 NCCOCC#CCO 34a_100000210304_200000047223 [0,2,0,0,0,0|2,0,0]=4 2355 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [0,2,0,0,0,0|2,0,0]=4 2356 B8R0.4 NCCOCCOCF 34a_100000211614_100015361967 [0,2,0,0,0,0|2,0,0]=4 2357 B8R0.4 NOCCOCCCF 34a_100000700252_100011934791 [0,2,0,0,0,0|2,0,0]=4 2358 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [0,2,0,0,0,0|1,0,0]=3 2359 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,2,0,0,0,0|0,0,1]=3 2360 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,2,0,0,0,0|1,0,1]=4 2361 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,2,0,0,0,0|1,0,1]=4 2362 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,2,0,0,0,0|0,0,2]=4 2363 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,2,0,0,0,0|0,0,2]=4 2364 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,2,0,0,0,0|1,0,1]=4 2365 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,2,0,0,0,0|1,0,1]=4 2366 B8R0.4 OCC#CCNCCF 34a_100000724931_200000047223 [0,2,0,0,0,0|1,0,0]=3 2367 B8R0.4 OCC#CCNCCO 2230a_100016997473_200000047223 [0,2,0,0,0,0|0,0,0]=2 2368 B8R0.4 OCC#CCNCCO 34a_100016990907_200000047223 [0,2,0,0,0,0|0,0,0]=2 2369 B8R0.4 OCC#CCOCCBr 34a_100000211926_200000047223 [0,2,0,0,0,0|2,0,0]=4 2370 B8R0.4 OCC#CCSCCF 62a_100011217306_200000047223 [0,2,0,0,0,0|2,0,0]=4 2371 B8R0.4 OCC#CCSCCF 62a_200000047223_100011217306 [0,2,0,0,0,0|2,0,0]=4 2372 B8R0.4 OCC#CCSCCO 62a_100000211926_200000047223 [0,2,0,0,0,0|1,0,0]=3 2373 B8R0.4 OCC#CCSCCO 62a_200000047223_100000211926 [0,2,0,0,0,0|1,0,0]=3 2374 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,2,0,0,0,0|2,0,0]=4 2375 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,2,0,0,0,0|1,1,0]=4 2376 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,2,0,0,0,0|1,1,0]=4 2377 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [0,2,0,0,0,0|1,0,0]=3 2378 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [0,2,0,0,0,0|1,0,0]=3 2379 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [0,2,0,0,0,0|1,0,0]=3 2380 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [0,2,0,0,0,0|0,0,0]=2 2381 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [0,2,0,0,0,0|0,0,0]=2 2382 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [0,2,0,0,0,0|0,0,0]=2 2383 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [0,2,0,0,0,0|0,0,0]=2 2384 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [0,2,0,0,0,0|2,0,0]=4 2385 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,2,0,0,0,0|2,0,0]=4 2386 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,2,0,0,0,0|2,0,0]=4 2387 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,2,0,0,0,0|1,0,0]=3 2388 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,2,0,0,0,0|1,0,0]=3 2389 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [0,2,0,0,0,0|1,0,0]=3 2390 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [0,2,0,0,0,0|1,0,0]=3 2391 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [0,2,0,0,0,0|2,0,0]=4 2392 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [0,2,0,0,0,0|2,0,0]=4 2393 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [0,2,0,0,0,0|2,0,0]=4 2394 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,2,0,0,0,0|2,0,0]=4 2395 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,2,0,0,0,0|2,0,0]=4 2396 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,2,0,0,0,0|1,0,0]=3 2397 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [0,2,0,0,0,0|1,0,0]=3 2398 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [0,2,0,0,0,0|1,0,0]=3 2399 B8R0.4 OCCOCC#CCCl 34a_200000047223_100000211926 [0,2,0,0,0,0|2,0,0]=4 2400 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [0,2,0,0,0,0|2,0,0]=4 2401 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [0,2,0,0,0,0|2,0,0]=4 2402 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [0,2,0,0,0,0|2,0,0]=4 2403 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [0,2,0,0,0,0|2,0,0]=4 2404 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [0,2,0,0,0,0|2,0,0]=4 2405 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [0,2,0,0,0,0|2,0,0]=4 2406 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [0,2,0,0,0,0|2,0,0]=4 2407 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [0,2,0,0,0,0|1,1,0]=4 2408 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [0,2,0,0,0,0|1,1,0]=4 2409 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,2,0,0,0,0|2,0,0]=4 2410 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,2,0,0,0,0|2,0,0]=4 2411 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,2,0,0,0,0|2,0,0]=4 2412 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,2,0,0,0,0|2,0,0]=4 2413 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,2,0,0,0,0|2,0,0]=4 2414 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,2,0,0,0,0|2,0,0]=4 2415 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,2,0,0,0,0|2,0,0]=4 2416 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,2,0,0,0,0|2,0,0]=4 2417 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,2,0,0,0,0|2,0,0]=4 2418 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,2,0,0,0,0|2,0,0]=4 2419 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,2,0,0,0,0|2,0,0]=4 2420 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,2,0,0,0,0|1,1,0]=4 2421 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,2,0,0,0,0|1,1,0]=4 2422 B8R0.6 C#CC(C)NCCCO 2230a_100000707721_100000230001 [0,2,0,0,0,0|1,0,1]=4 2423 B8R0.6 C#CC(C)NCCCO 34a_100000707721_100000230001 [0,2,0,0,0,0|1,0,1]=4 2424 B8R0.6 C#CC(C)NCCOC 2230a_100000707721_100011201679 [0,2,0,0,0,0|1,0,1]=4 2425 B8R0.6 C#CC(C)NCCOC 34a_100000707721_100011201679 [0,2,0,0,0,0|1,0,1]=4 2426 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,2,0,0,0,0|1,0,1]=4 2427 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,2,0,0,0,0|1,0,1]=4 2428 B8R0.6 C#CCCNC(C)CC 2230a_100000209981_100000688953 [0,2,0,0,0,0|2,0,0]=4 2429 B8R0.6 C#CCCNC(C)CC 34a_100000755551_100011215416 [0,2,0,0,0,0|2,0,0]=4 2430 B8R0.6 C#CCCNC(C)CO 34a_100000755551_100012180447 [0,2,0,0,0,0|1,0,0]=3 2431 B8R0.6 C#CCCN[C@H](C)CO 2230a_100000737577_100000688953 [0,2,0,0,0,0|1,0,0]=3 2432 B8R0.6 C#CCCOC(C)CO 34a_100011215631_100012180447 [0,2,0,0,0,0|2,0,0]=4 2433 B8R0.6 C#CCCSC(C)CO 62a_100012180447_100000688953 [0,2,0,0,0,0|2,0,0]=4 2434 B8R0.6 C#CCCS[C@H](C)CO 62a_100000688953_100016084084 [0,2,0,0,0,0|2,0,0]=4 2435 B8R0.6 C#CCCS[C@H](C)CO 62a_100016084084_100000688953 [0,2,0,0,0,0|2,0,0]=4 2436 B8R0.6 C#CCNCC(C)CO 34a_100000744482_100000184674 [0,2,0,0,0,0|1,0,1]=4 2437 B8R0.6 C#CCNCC(O)C=C 34a_100000212058_100000730141 [0,2,0,0,0,0|1,0,1]=4 2438 B8R0.6 C#CCNCC(O)CC 2230a_100011218483_100000038162 [0,2,0,0,0,0|1,0,1]=4 2439 B8R0.6 C#CCNCC(O)CC 34a_100000212058_100011218378 [0,2,0,0,0,0|1,0,1]=4 2440 B8R0.6 C#CCNCC(O)CO 34a_100000212058_100011219619 [0,2,0,0,0,0|1,0,1]=4 2441 B8R0.6 C#CCNC[C@@H](C)CO 34a_100000212058_100000059175 [0,2,0,0,0,0|1,0,1]=4 2442 B8R0.6 C#CCNC[C@@H](C)OC 2230a_100020591295_100000038162 [0,2,0,0,0,0|1,0,1]=4 2443 B8R0.6 C#CCNC[C@@H](F)CO 34a_100015665980_100000184674 [0,2,0,0,0,0|1,0,1]=4 2444 B8R0.6 C#CCNC[C@@H](O)CF 34a_100000212058_100015614560 [0,2,0,0,0,0|1,0,1]=4 2445 B8R0.6 C#CCNC[C@@H](O)CO 34a_100000212058_100009815848 [0,2,0,0,0,0|1,0,1]=4 2446 B8R0.6 C#CCNC[C@H](O)CO 2230a_100020644852_100000038162 [0,2,0,0,0,0|1,0,1]=4 2447 B8R0.6 C=C(C#N)CNCCO 2230a_100016997473_100000694840 [0,2,0,0,0,0|1,0,1]=4 2448 B8R0.6 C=C(C#N)CNCCO 34a_100016990907_100000694840 [0,2,0,0,0,0|1,0,1]=4 2449 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [0,2,0,0,0,0|2,0,0]=4 2450 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [0,2,0,0,0,0|2,0,0]=4 2451 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,2,0,0,0,0|1,0,0]=3 2452 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,2,0,0,0,0|0,0,0]=2 2453 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,2,0,0,0,0|0,0,0]=2 2454 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,2,0,0,0,0|2,0,0]=4 2455 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,2,0,0,0,0|2,0,0]=4 2456 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,2,0,0,0,0|2,0,0]=4 2457 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,2,0,0,0,0|2,0,0]=4 2458 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,2,0,0,0,0|2,0,0]=4 2459 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [0,2,0,0,0,0|2,0,0]=4 2460 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [0,2,0,0,0,0|2,0,0]=4 2461 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,2,0,0,0,0|1,0,0]=3 2462 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,2,0,0,0,0|1,0,0]=3 2463 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,2,0,0,0,0|1,0,1]=4 2464 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,2,0,0,0,0|1,0,1]=4 2465 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,2,0,0,0,0|2,0,0]=4 2466 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,2,0,0,0,0|2,0,0]=4 2467 B8R0.6 C=CCCNC(C)CO 2230a_100015191253_100012180447 [0,2,0,0,0,0|1,0,0]=3 2468 B8R0.6 C=CCCN[C@H](C)CO 2230a_100000737577_100000754431 [0,2,0,0,0,0|1,0,0]=3 2469 B8R0.6 C=CCCOC(C)CO 34a_100011205117_100012180447 [0,2,0,0,0,0|2,0,0]=4 2470 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [0,2,0,0,0,0|2,0,0]=4 2471 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [0,2,0,0,0,0|2,0,0]=4 2472 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [0,2,0,0,0,0|2,0,0]=4 2473 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [0,2,0,0,0,0|1,0,1]=4 2474 B8R0.6 C=CCNCC(O)C=C 2230a_100020586998_100000730141 [0,2,0,0,0,0|1,0,1]=4 2475 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,2,0,0,0,0|1,0,1]=4 2476 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,2,0,0,0,0|1,0,1]=4 2477 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [0,2,0,0,0,0|1,0,1]=4 2478 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [0,2,0,0,0,0|1,0,1]=4 2479 B8R0.6 C=CCNC[C@@H](C)OC 2230a_100020591295_100000210623 [0,2,0,0,0,0|1,0,1]=4 2480 B8R0.6 C=CCNC[C@@H](F)CO 34a_100015665980_100015514636 [0,2,0,0,0,0|1,0,1]=4 2481 B8R0.6 C=CCNC[C@@H](O)CF 2230a_100020586998_100015614560 [0,2,0,0,0,0|1,0,1]=4 2482 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [0,2,0,0,0,0|1,0,1]=4 2483 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [0,2,0,0,0,0|1,0,1]=4 2484 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [0,2,0,0,0,0|2,0,0]=4 2485 B8R0.6 CC#CCNC(C)CO 2230a_100000685387_100012180447 [0,2,0,0,0,0|1,0,1]=4 2486 B8R0.6 CC#CCNC(C)CO 34a_100000685387_100012180447 [0,2,0,0,0,0|1,0,1]=4 2487 B8R0.6 CC#CCN[C@H](C)CO 2230a_100000737577_100000748600 [0,2,0,0,0,0|1,0,1]=4 2488 B8R0.6 CC(=NNCCO)CF 4a_100000210001_100000039719 [0,2,0,0,0,0|1,0,1]=4 2489 B8R0.6 CC(=NNCCO)CO 4a_100000210001_100000211253 [0,2,0,0,0,0|0,0,1]=3 2490 B8R0.6 CC(C#N)NCCCO 2230a_100000737613_100000230001 [0,2,0,0,0,0|1,0,1]=4 2491 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,2,0,0,0,0|2,0,0]=4 2492 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,2,0,0,0,0|2,0,0]=4 2493 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,2,0,0,0,0|2,0,0]=4 2494 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,2,0,0,0,0|2,0,0]=4 2495 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [0,2,0,0,0,0|2,0,0]=4 2496 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|0,0,2]=4 2497 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,2,0,0,0,0|1,0,0]=3 2498 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,2,0,0,0,0|0,0,0]=2 2499 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [0,2,0,0,0,0|1,0,0]=3 2500 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [0,2,0,0,0,0|1,0,0]=3 2501 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [0,2,0,0,0,0|2,0,0]=4 2502 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [0,2,0,0,0,0|2,0,0]=4 2503 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [0,2,0,0,0,0|2,0,0]=4 2504 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [0,2,0,0,0,0|2,0,0]=4 2505 B8R0.6 CC(CO)OCCON 34a_100000700252_100012180447 [0,2,0,0,0,0|1,0,0]=3 2506 B8R0.6 CC(CO)SCCC#N 62a_100012180447_100011215226 [0,2,0,0,0,0|2,0,0]=4 2507 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [0,2,0,0,0,0|2,0,0]=4 2508 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,2,0,0,0,0|1,0,0]=3 2509 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [0,2,0,0,0,0|1,0,1]=4 2510 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|2,0,0]=4 2511 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|2,0,0]=4 2512 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,2,0,0,0,0|2,0,0]=4 2513 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,2,0,0,0,0|2,0,0]=4 2514 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,2,0,0,0,0|2,0,0]=4 2515 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,2,0,0,0,0|2,0,0]=4 2516 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,2,0,0,0,0|1,0,1]=4 2517 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,2,0,0,0,0|1,0,1]=4 2518 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,2,0,0,0,0|1,0,1]=4 2519 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,2,0,0,0,0|1,0,1]=4 2520 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,2,0,0,0,0|1,0,1]=4 2521 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,2,0,0,0,0|1,0,1]=4 2522 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,2,0,0,0,0|1,0,1]=4 2523 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,2,0,0,0,0|1,0,1]=4 2524 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,2,0,0,0,0|1,0,1]=4 2525 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,2,0,0,0,0|1,0,1]=4 2526 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,2,0,0,0,0|2,0,0]=4 2527 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,2,0,0,0,0|2,0,0]=4 2528 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,2,0,0,0,0|2,0,0]=4 2529 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,2,0,0,0,0|2,0,0]=4 2530 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,2,0,0,0,0|1,0,0]=3 2531 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,2,0,0,0,0|1,0,0]=3 2532 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,2,0,0,0,0|1,0,0]=3 2533 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,2,0,0,0,0|1,0,0]=3 2534 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,2,0,0,0,0|2,0,0]=4 2535 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,2,0,0,0,0|2,0,0]=4 2536 B8R0.6 CCC(C)NCCC#N 2230a_100000209981_100011215226 [0,2,0,0,0,0|2,0,0]=4 2537 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,2,0,0,0,0|2,0,0]=4 2538 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,2,0,0,0,0|2,0,0]=4 2539 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,2,0,0,0,0|2,0,0]=4 2540 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,2,0,0,0,0|1,0,0]=3 2541 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,2,0,0,0,0|1,0,0]=3 2542 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,2,0,0,0,0|1,0,0]=3 2543 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,2,0,0,0,0|1,1,0]=4 2544 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,2,0,0,0,0|1,1,0]=4 2545 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,2,0,0,0,0|2,0,0]=4 2546 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,2,0,0,0,0|2,0,0]=4 2547 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,2,0,0,0,0|2,0,0]=4 2548 B8R0.6 CCC(C)OCCON 34a_100000700252_100011215416 [0,2,0,0,0,0|2,0,0]=4 2549 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,2,0,0,0,0|2,0,0]=4 2550 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,2,0,0,0,0|2,0,0]=4 2551 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,2,0,0,0,0|2,0,0]=4 2552 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,2,0,0,0,0|2,0,0]=4 2553 B8R0.6 CCC(O)CNCC#N 2230a_100011218483_100011215382 [0,2,0,0,0,0|1,0,1]=4 2554 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,2,0,0,0,0|0,0,2]=4 2555 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,2,0,0,0,0|1,0,0]=3 2556 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,2,0,0,0,0|1,0,0]=3 2557 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,2,0,0,0,0|0,0,0]=2 2558 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,2,0,0,0,0|0,0,0]=2 2559 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,2,0,0,0,0|0,0,0]=2 2560 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,2,0,0,0,0|2,0,0]=4 2561 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,2,0,0,0,0|2,0,0]=4 2562 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,2,0,0,0,0|2,0,0]=4 2563 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,2,0,0,0,0|2,0,0]=4 2564 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,2,0,0,0,0|2,0,0]=4 2565 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,2,0,0,0,0|2,0,0]=4 2566 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,2,0,0,0,0|1,0,0]=3 2567 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,2,0,0,0,0|1,0,0]=3 2568 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,2,0,0,0,0|2,0,0]=4 2569 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2570 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,2,0,0,0,0|2,0,0]=4 2571 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2572 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2573 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2574 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,2,0,0,0,0|1,0,1]=4 2575 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,2,0,0,0,0|1,0,1]=4 2576 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,2,0,0,0,0|2,0,0]=4 2577 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,2,0,0,0,0|2,0,0]=4 2578 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,2,0,0,0,0|2,0,0]=4 2579 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,2,0,0,0,0|1,0,0]=3 2580 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,2,0,0,0,0|1,0,0]=3 2581 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,2,0,0,0,0|1,0,0]=3 2582 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,2,0,0,0,0|2,0,0]=4 2583 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,2,0,0,0,0|2,0,0]=4 2584 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,2,0,0,0,0|2,0,0]=4 2585 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,2,0,0,0,0|2,0,0]=4 2586 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,2,0,0,0,0|2,0,0]=4 2587 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,2,0,0,0,0|2,0,0]=4 2588 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,2,0,0,0,0|2,0,0]=4 2589 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,2,0,0,0,0|1,0,0]=3 2590 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,2,0,0,0,0|1,0,0]=3 2591 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,2,0,0,0,0|1,0,0]=3 2592 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,2,0,0,0,0|1,0,0]=3 2593 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,2,0,0,0,0|1,0,0]=3 2594 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [0,2,0,0,0,0|1,0,1]=4 2595 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,2,0,0,0,0|1,0,1]=4 2596 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,2,0,0,0,0|2,0,0]=4 2597 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,2,0,0,0,0|2,0,0]=4 2598 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,2,0,0,0,0|2,0,0]=4 2599 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,2,0,0,0,0|2,0,0]=4 2600 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,2,0,0,0,0|2,0,0]=4 2601 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,2,0,0,0,0|2,0,0]=4 2602 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,2,0,0,0,0|2,0,0]=4 2603 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,2,0,0,0,0|2,0,0]=4 2604 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,2,0,0,0,0|2,0,0]=4 2605 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,2,0,0,0,0|2,0,0]=4 2606 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,2,0,0,0,0|2,0,0]=4 2607 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,2,0,0,0,0|2,0,0]=4 2608 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,2,0,0,0,0|2,0,0]=4 2609 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,2,0,0,0,0|2,0,0]=4 2610 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,2,0,0,0,0|2,0,0]=4 2611 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,2,0,0,0,0|2,0,0]=4 2612 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,2,0,0,0,0|2,0,0]=4 2613 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,2,0,0,0,0|2,0,0]=4 2614 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,2,0,0,0,0|2,0,0]=4 2615 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,2,0,0,0,0|2,0,0]=4 2616 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,2,0,0,0,0|2,0,0]=4 2617 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,2,0,0,0,0|2,0,0]=4 2618 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,2,0,0,0,0|2,0,0]=4 2619 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,2,0,0,0,0|2,0,0]=4 2620 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,2,0,0,0,0|2,0,0]=4 2622 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,2,0,0,0,0|2,0,0]=4 2623 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,2,0,0,0,0|2,0,0]=4 2624 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,2,0,0,0,0|2,0,0]=4 2625 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,2,0,0,0,0|2,0,0]=4 2626 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,2,0,0,0,0|1,0,0]=3 2627 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,2,0,0,0,0|1,0,0]=3 2628 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,2,0,0,0,0|2,0,0]=4 2629 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,2,0,0,0,0|2,0,0]=4 2630 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,2,0,0,0,0|2,0,0]=4 2631 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [0,2,0,0,0,0|2,0,0]=4 2632 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,2,0,0,0,0|0,0,2]=4 2633 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,2,0,0,0,0|0,0,2]=4 2634 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,2,0,0,0,0|0,0,2]=4 2635 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,2,0,0,0,0|1,0,1]=4 2636 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,2,0,0,0,0|0,0,1]=3 2637 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,2,0,0,0,0|0,0,1]=3 2638 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,2,0,0,0,0|1,0,1]=4 2639 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,2,0,0,0,0|1,0,1]=4 2640 B8R0.6 COC(C)COCCF 34a_100000690652_100011217306 [0,2,0,0,0,0|2,0,0]=4 2641 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [0,2,0,0,0,0|1,0,0]=3 2642 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,2,0,0,0,0|2,0,0]=4 2643 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,2,0,0,0,0|2,0,0]=4 2644 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,2,0,0,0,0|1,0,1]=4 2645 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,2,0,0,0,0|2,0,0]=4 2646 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,2,0,0,0,0|0,0,1]=3 2647 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,2,0,0,0,0|0,0,1]=3 2648 B8R0.6 COCCNC(C)C#N 2230a_100000209980_100000184139 [0,2,0,0,0,0|1,0,1]=4 2649 B8R0.6 COCCNC(C)C#N 2230a_100000737613_100011201679 [0,2,0,0,0,0|1,0,1]=4 2650 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [0,2,0,0,0,0|0,0,0]=2 2651 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [0,2,0,0,0,0|0,0,0]=2 2652 B8R0.6 COCCOC(C)CF 34a_100016041109_100011201679 [0,2,0,0,0,0|2,0,0]=4 2653 B8R0.6 COCCOC(C)CF 7a_100016041109_100000233755 [0,2,0,0,0,0|2,0,0]=4 2654 B8R0.6 COCCOC(C)CN 34a_100000210904_100011201679 [0,2,0,0,0,0|2,0,0]=4 2655 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [0,2,0,0,0,0|1,0,0]=3 2656 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [0,2,0,0,0,0|1,0,0]=3 2657 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [0,2,0,0,0,0|1,0,0]=3 2658 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [0,2,0,0,0,0|1,0,0]=3 2659 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [0,2,0,0,0,0|2,0,0]=4 2660 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [0,2,0,0,0,0|2,0,0]=4 2661 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,2,0,0,0,0|2,0,0]=4 2662 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,2,0,0,0,0|2,0,0]=4 2663 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,2,0,0,0,0|2,0,0]=4 2664 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,2,0,0,0,0|2,0,0]=4 2665 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,2,0,0,0,0|2,0,0]=4 2666 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,2,0,0,0,0|2,0,0]=4 2667 B8R0.6 CO[C@H](C)CNCC#N 2230a_100020591295_100011215382 [0,2,0,0,0,0|1,0,1]=4 2668 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,2,0,0,0,0|0,0,2]=4 2669 B8R0.6 CO[C@H](C)CNCCF 2230a_100020591295_100011217306 [0,2,0,0,0,0|1,0,0]=3 2670 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,2,0,0,0,0|0,0,0]=2 2671 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,2,0,0,0,0|2,0,0]=4 2672 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,2,0,0,0,0|0,1,1]=4 2673 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,2,0,0,0,0|0,1,1]=4 2674 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [0,2,0,0,0,0|0,1,0]=3 2675 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [0,2,0,0,0,0|0,1,0]=3 2676 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [0,2,0,0,0,0|1,1,0]=4 2677 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [0,2,0,0,0,0|1,1,0]=4 2678 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [0,2,0,0,0,0|1,1,0]=4 2679 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [0,2,0,0,0,0|1,1,0]=4 2680 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [0,2,0,0,0,0|1,1,0]=4 2681 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,2,0,0,0,0|2,0,0]=4 2682 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [0,2,0,0,0,0|2,0,0]=4 2683 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,2,0,0,0,0|2,0,0]=4 2684 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,2,0,0,0,0|2,0,0]=4 2685 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,2,0,0,0,0|1,0,0]=3 2686 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,2,0,0,0,0|0,0,0]=2 2687 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,2,0,0,0,0|0,0,0]=2 2688 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,2,0,0,0,0|2,0,0]=4 2689 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,2,0,0,0,0|2,0,0]=4 2690 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,2,0,0,0,0|2,0,0]=4 2691 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,2,0,0,0,0|2,0,0]=4 2692 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,2,0,0,0,0|1,0,0]=3 2693 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,2,0,0,0,0|1,0,0]=3 2694 B8R0.6 C[C@H](CO)NCCC#N 2230a_100000737577_100011215226 [0,2,0,0,0,0|1,0,0]=3 2695 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [0,2,0,0,0,0|1,0,0]=3 2696 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,2,0,0,0,0|0,0,0]=2 2697 B8R0.6 C[C@H](CO)SCCC#N 62a_100011215226_100016084084 [0,2,0,0,0,0|2,0,0]=4 2698 B8R0.6 C[C@H](CO)SCCC#N 62a_100016084084_100011215226 [0,2,0,0,0,0|2,0,0]=4 2699 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [0,2,0,0,0,0|2,0,0]=4 2700 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [0,2,0,0,0,0|2,0,0]=4 2701 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,2,0,0,0,0|1,0,0]=3 2702 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,2,0,0,0,0|1,0,0]=3 2703 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,2,0,0,0,0|1,0,1]=4 2704 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,2,0,0,0,0|1,0,1]=4 2705 B8R0.6 N#CCNC[C@H](O)CO 2230a_100020644852_100011215382 [0,2,0,0,0,0|1,0,1]=4 2706 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,2,0,0,0,0|2,0,0]=4 2707 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [0,2,0,0,0,0|2,0,0]=4 2708 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,2,0,0,0,0|2,0,0]=4 2709 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [0,2,0,0,0,0|2,0,0]=4 2710 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,2,0,0,0,0|2,0,0]=4 2711 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,2,0,0,0,0|2,0,0]=4 2712 B8R0.6 O=C(CO)CC#CCO 1458a_100000210174_200000047223 [0,2,0,0,0,0|1,0,1]=4 2713 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,2,0,0,0,0|2,0,0]=4 2714 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,2,0,0,0,0|1,0,0]=3 2715 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,2,0,0,0,0|1,0,1]=4 2716 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,2,0,0,0,0|1,0,1]=4 2717 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,2,0,0,0,0|0,0,1]=3 2718 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,2,0,0,0,0|0,0,1]=3 2719 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,2,0,0,0,0|0,0,1]=3 2720 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,2,0,0,0,0|0,0,2]=4 2721 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,2,0,0,0,0|0,0,2]=4 2722 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,2,0,0,0,0|1,0,0]=3 2723 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,2,0,0,0,0|2,0,0]=4 2724 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,2,0,0,0,0|2,0,0]=4 2725 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,2,0,0,0,0|2,0,0]=4 2726 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,2,0,0,0,0|0,0,0]=2 2727 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,2,0,0,0,0|0,0,0]=2 2728 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,2,0,0,0,0|0,0,0]=2 2729 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,2,0,0,0,0|0,0,0]=2 2730 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,2,0,0,0,0|0,0,0]=2 2731 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,2,0,0,0,0|0,0,0]=2 2732 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,2,0,0,0,0|0,0,0]=2 2733 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,2,0,0,0,0|0,0,0]=2 2734 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,2,0,0,0,0|2,0,0]=4 2735 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,2,0,0,0,0|1,0,0]=3 2736 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,2,0,0,0,0|1,0,0]=3 2737 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,2,0,0,0,0|1,0,0]=3 2738 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,2,0,0,0,0|1,0,0]=3 2739 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,2,0,0,0,0|1,0,0]=3 2740 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,2,0,0,0,0|1,0,0]=3 2741 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,2,0,0,0,0|1,0,0]=3 2742 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [0,2,0,0,0,0|1,0,0]=3 2743 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,2,0,0,0,0|1,0,0]=3 2744 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,2,0,0,0,0|2,0,0]=4 2745 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,2,0,0,0,0|2,0,0]=4 2746 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,2,0,0,0,0|2,0,0]=4 2747 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [0,2,0,0,0,0|1,0,0]=3 2748 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [0,2,0,0,0,0|2,0,0]=4 2749 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,2,0,0,0,0|2,0,0]=4 2750 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,2,0,0,0,0|2,0,0]=4 2751 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,2,0,0,0,0|1,0,1]=4 2752 B8R0.7 C#CCCNCC(C)C 2230a_100000210953_100000688953 [0,2,0,0,0,0|2,0,0]=4 2753 B8R0.7 C#CCCNCC(C)C 34a_100000210953_100000688953 [0,2,0,0,0,0|2,0,0]=4 2754 B8R0.7 C#CCCNCC(C)C 34a_100000755551_100000210624 [0,2,0,0,0,0|2,0,0]=4 2755 B8R0.7 C#CCCNCC(C)O 2230a_100000210904_100000688953 [0,2,0,0,0,0|1,0,0]=3 2756 B8R0.7 C#CCCNCC(C)O 34a_100000210904_100000688953 [0,2,0,0,0,0|1,0,0]=3 2757 B8R0.7 C#CCCNCC(C)O 34a_100000755551_100011218427 [0,2,0,0,0,0|1,0,0]=3 2758 B8R0.7 C#CCCNCC(F)F 34a_100000755551_100011934356 [0,2,0,0,0,0|2,0,0]=4 2759 B8R0.7 C#CCCNCC(F)F 34a_100000765723_100000688953 [0,2,0,0,0,0|2,0,0]=4 2760 B8R0.7 C#CCCNC[C@@H](C)O 34a_100000755551_100009817552 [0,2,0,0,0,0|1,0,0]=3 2761 B8R0.7 C#CCCOCC(C)O 34a_100011215631_100011218427 [0,2,0,0,0,0|2,0,0]=4 2762 B8R0.7 C#CCCOC[C@@H](C)O 34a_100011215631_100009817552 [0,2,0,0,0,0|2,0,0]=4 2763 B8R0.7 C#CCCSCC(C)O 62a_100000688953_100011218427 [0,2,0,0,0,0|2,0,0]=4 2764 B8R0.7 C#CCCSCC(C)O 62a_100011218427_100000688953 [0,2,0,0,0,0|2,0,0]=4 2765 B8R0.7 C#CCCSC[C@@H](C)O 62a_100000688953_100009817552 [0,2,0,0,0,0|2,0,0]=4 2766 B8R0.7 C#CCCSC[C@@H](C)O 62a_100009817552_100000688953 [0,2,0,0,0,0|2,0,0]=4 2767 B8R0.7 C#CCNCCC(C)O 2230a_200000755665_100000038162 [0,2,0,0,0,0|1,0,1]=4 2768 B8R0.7 C#CCNCCC(C)O 34a_100000212058_100012276601 [0,2,0,0,0,0|1,0,1]=4 2769 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [0,2,0,0,0,0|1,0,1]=4 2770 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [0,2,0,0,0,0|2,0,0]=4 2771 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,2,0,0,0,0|2,0,0]=4 2772 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,2,0,0,0,0|1,0,0]=3 2773 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,2,0,0,0,0|1,0,0]=3 2774 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,2,0,0,0,0|2,0,0]=4 2775 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,2,0,0,0,0|2,0,0]=4 2776 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,2,0,0,0,0|2,0,0]=4 2777 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,2,0,0,0,0|1,0,1]=4 2778 B8R0.7 C=C(F)CNCCOC 2230a_100000209980_100009893438 [0,2,0,0,0,0|1,0,1]=4 2779 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,2,0,0,0,0|1,0,1]=4 2780 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,2,0,0,0,0|2,0,0]=4 2781 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,2,0,0,0,0|2,0,0]=4 2782 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,2,0,0,0,0|2,0,0]=4 2783 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,2,0,0,0,0|2,0,0]=4 2784 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [0,2,0,0,0,0|1,0,0]=3 2785 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [0,2,0,0,0,0|1,0,0]=3 2786 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [0,2,0,0,0,0|1,0,0]=3 2787 B8R0.7 C=CCCNCC(F)F 2230a_100015191253_100011934356 [0,2,0,0,0,0|2,0,0]=4 2788 B8R0.7 C=CCCNCC(F)F 34a_100000765723_100000754431 [0,2,0,0,0,0|2,0,0]=4 2789 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [0,2,0,0,0,0|1,0,0]=3 2790 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [0,2,0,0,0,0|2,0,0]=4 2791 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [0,2,0,0,0,0|2,0,0]=4 2792 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,2,0,0,0,0|2,0,0]=4 2793 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,2,0,0,0,0|2,0,0]=4 2794 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,2,0,0,0,0|2,0,0]=4 2795 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,2,0,0,0,0|2,0,0]=4 2796 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [0,2,0,0,0,0|1,0,1]=4 2797 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [0,2,0,0,0,0|1,0,1]=4 2798 B8R0.7 CC#CCNCC(C)O 2230a_100000210904_100000748600 [0,2,0,0,0,0|1,0,1]=4 2799 B8R0.7 CC#CCNCC(C)O 2230a_100000685387_100011218427 [0,2,0,0,0,0|1,0,1]=4 2800 B8R0.7 CC#CCNCC(C)O 34a_100000210904_100000748600 [0,2,0,0,0,0|1,0,1]=4 2801 B8R0.7 CC#CCNCC(C)O 34a_100000685387_100011218427 [0,2,0,0,0,0|1,0,1]=4 2802 B8R0.7 CC#CCNC[C@@H](C)O 2230a_100000685387_100009817552 [0,2,0,0,0,0|1,0,1]=4 2803 B8R0.7 CC#CCNC[C@@H](C)O 34a_100000685387_100009817552 [0,2,0,0,0,0|1,0,1]=4 2804 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [0,2,0,0,0,0|1,0,1]=4 2805 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [0,2,0,0,0,0|1,0,1]=4 2806 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [0,2,0,0,0,0|1,0,1]=4 2807 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,2,0,0,0,0|1,0,1]=4 2808 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,2,0,0,0,0|1,0,1]=4 2809 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,2,0,0,0,0|1,0,1]=4 2810 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,2,0,0,0,0|1,0,1]=4 2811 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,2,0,0,0,0|1,0,1]=4 2812 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,2,0,0,0,0|1,0,1]=4 2813 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,2,0,0,0,0|1,0,1]=4 2814 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,2,0,0,0,0|1,0,1]=4 2815 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,2,0,0,0,0|0,0,2]=4 2816 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,2,0,0,0,0|2,0,0]=4 2817 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [0,2,0,0,0,0|2,0,0]=4 2818 B8R0.7 CC(C)C=NNCCO 4a_100000210001_100000210432 [0,2,0,0,0,0|1,0,1]=4 2819 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,2,0,0,0,0|2,0,0]=4 2820 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,2,0,0,0,0|2,0,0]=4 2821 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,2,0,0,0,0|2,0,0]=4 2822 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,2,0,0,0,0|2,0,0]=4 2823 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,2,0,0,0,0|1,0,0]=3 2824 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,2,0,0,0,0|1,0,0]=3 2825 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,2,0,0,0,0|1,0,0]=3 2826 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,2,0,0,0,0|2,0,0]=4 2827 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,2,0,0,0,0|2,0,0]=4 2828 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,2,0,0,0,0|2,0,0]=4 2829 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,2,0,0,0,0|2,0,0]=4 2830 B8R0.7 CC(C)CNCCC#N 2230a_100000210953_100011215226 [0,2,0,0,0,0|2,0,0]=4 2831 B8R0.7 CC(C)CNCCC#N 270004a_100000720768_100000210432 [0,2,0,0,0,0|2,0,0]=4 2832 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,2,0,0,0,0|2,0,0]=4 2833 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,2,0,0,0,0|2,0,0]=4 2834 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,2,0,0,0,0|2,0,0]=4 2835 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,2,0,0,0,0|2,0,0]=4 2836 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,2,0,0,0,0|2,0,0]=4 2837 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,2,0,0,0,0|1,0,0]=3 2838 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,2,0,0,0,0|1,0,0]=3 2839 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,2,0,0,0,0|1,0,0]=3 2840 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,2,0,0,0,0|1,0,0]=3 2841 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,2,0,0,0,0|2,0,0]=4 2842 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [0,2,0,0,0,0|2,0,0]=4 2843 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [0,2,0,0,0,0|2,0,0]=4 2844 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [0,2,0,0,0,0|2,0,0]=4 2845 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,2,0,0,0,0|2,0,0]=4 2846 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,2,0,0,0,0|2,0,0]=4 2847 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,2,0,0,0,0|2,0,0]=4 2848 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,2,0,0,0,0|2,0,0]=4 2849 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,2,0,0,0,0|2,0,0]=4 2850 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,2,0,0,0,0|2,0,0]=4 2851 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,2,0,0,0,0|2,0,0]=4 2852 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,2,0,0,0,0|2,0,0]=4 2853 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,2,0,0,0,0|2,0,0]=4 2854 B8R0.7 CC(C)OCNCCF 34a_100000724931_100000709892 [0,2,0,0,0,0|2,0,0]=4 2855 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [0,2,0,0,0,0|1,0,0]=3 2856 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [0,2,0,0,0,0|1,0,0]=3 2857 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [0,2,0,0,0,0|2,0,0]=4 2858 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [0,2,0,0,0,0|2,0,0]=4 2859 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,2,0,0,0,0|2,0,0]=4 2860 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,2,0,0,0,0|2,0,0]=4 2861 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [0,2,0,0,0,0|2,0,0]=4 2862 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,2,0,0,0,0|2,0,0]=4 2863 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,2,0,0,0,0|2,0,0]=4 2864 B8R0.7 CC(O)CCNCC#N 2230a_200000755665_100011215382 [0,2,0,0,0,0|1,0,1]=4 2865 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,2,0,0,0,0|0,0,2]=4 2866 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,2,0,0,0,0|1,0,0]=3 2867 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,2,0,0,0,0|1,0,0]=3 2868 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,2,0,0,0,0|0,0,0]=2 2869 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,2,0,0,0,0|0,0,0]=2 2870 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,2,0,0,0,0|0,0,0]=2 2871 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,2,0,0,0,0|2,0,0]=4 2872 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,2,0,0,0,0|2,0,0]=4 2873 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,2,0,0,0,0|2,0,0]=4 2874 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,2,0,0,0,0|2,0,0]=4 2875 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,2,0,0,0,0|1,0,0]=3 2876 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,2,0,0,0,0|1,0,0]=3 2877 B8R0.7 CC(O)CNCCC#N 2230a_100000210904_100011215226 [0,2,0,0,0,0|1,0,0]=3 2878 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,2,0,0,0,0|1,0,0]=3 2879 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,2,0,0,0,0|1,0,0]=3 2880 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,2,0,0,0,0|1,0,0]=3 2881 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,2,0,0,0,0|1,0,0]=3 2882 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,2,0,0,0,0|0,0,0]=2 2883 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,2,0,0,0,0|0,0,0]=2 2884 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,2,0,0,0,0|2,0,0]=4 2885 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,2,0,0,0,0|2,0,0]=4 2886 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,2,0,0,0,0|2,0,0]=4 2887 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,2,0,0,0,0|2,0,0]=4 2888 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [0,2,0,0,0,0|1,0,0]=3 2889 B8R0.7 CC(O)CSCCC#N 62a_100011215226_100011218427 [0,2,0,0,0,0|2,0,0]=4 2890 B8R0.7 CC(O)CSCCC#N 62a_100011218427_100011215226 [0,2,0,0,0,0|2,0,0]=4 2891 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,2,0,0,0,0|2,0,0]=4 2892 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,2,0,0,0,0|2,0,0]=4 2893 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,2,0,0,0,0|1,0,0]=3 2894 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,2,0,0,0,0|1,0,0]=3 2895 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [0,2,0,0,0,0|1,0,1]=4 2896 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [0,2,0,0,0,0|1,0,1]=4 2897 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [0,2,0,0,0,0|1,0,1]=4 2898 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,2,0,0,0,0|1,0,1]=4 2899 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,2,0,0,0,0|2,0,0]=4 2900 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,2,0,0,0,0|2,0,0]=4 2901 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,2,0,0,0,0|2,0,0]=4 2902 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,2,0,0,0,0|2,0,0]=4 2903 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,2,0,0,0,0|2,0,0]=4 2904 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,2,0,0,0,0|1,0,0]=3 2905 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,2,0,0,0,0|1,0,0]=3 2906 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,2,0,0,0,0|1,0,0]=3 2907 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,2,0,0,0,0|1,0,0]=3 2908 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [0,2,0,0,0,0|2,0,0]=4 2909 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [0,2,0,0,0,0|2,0,0]=4 2910 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [0,2,0,0,0,0|2,0,0]=4 2911 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,2,0,0,0,0|1,0,0]=3 2912 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,2,0,0,0,0|1,0,0]=3 2913 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,2,0,0,0,0|2,0,0]=4 2914 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,2,0,0,0,0|2,0,0]=4 2915 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,2,0,0,0,0|2,0,0]=4 2916 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,2,0,0,0,0|2,0,0]=4 2917 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,2,0,0,0,0|2,0,0]=4 2918 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,2,0,0,0,0|2,0,0]=4 2919 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,2,0,0,0,0|2,0,0]=4 2920 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,2,0,0,0,0|2,0,0]=4 2921 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,2,0,0,0,0|2,0,0]=4 2922 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,2,0,0,0,0|1,0,0]=3 2923 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,2,0,0,0,0|1,0,1]=4 2924 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,2,0,0,0,0|2,0,0]=4 2925 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,2,0,0,0,0|2,0,0]=4 2926 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,2,0,0,0,0|2,0,0]=4 2927 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,2,0,0,0,0|2,0,0]=4 2928 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,2,0,0,0,0|2,0,0]=4 2929 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,2,0,0,0,0|1,0,1]=4 2930 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,2,0,0,0,0|2,0,0]=4 2931 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,2,0,0,0,0|2,0,0]=4 2932 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,2,0,0,0,0|2,0,0]=4 2933 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,2,0,0,0,0|2,0,0]=4 2934 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,2,0,0,0,0|2,0,0]=4 2935 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,2,0,0,0,0|2,0,0]=4 2936 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [0,2,0,0,0,0|2,0,0]=4 2937 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [0,2,0,0,0,0|2,0,0]=4 2938 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [0,2,0,0,0,0|2,0,0]=4 2939 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [0,2,0,0,0,0|2,0,0]=4 2940 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [0,2,0,0,0,0|2,0,0]=4 2941 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [0,2,0,0,0,0|2,0,0]=4 2942 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [0,2,0,0,0,0|2,0,0]=4 2943 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [0,2,0,0,0,0|2,0,0]=4 2944 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [0,2,0,0,0,0|2,0,0]=4 2945 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [0,2,0,0,0,0|2,0,0]=4 2946 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [0,2,0,0,0,0|2,0,0]=4 2947 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [0,2,0,0,0,0|2,0,0]=4 2948 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [0,2,0,0,0,0|2,0,0]=4 2949 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,2,0,0,0,0|2,0,0]=4 2950 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,2,0,0,0,0|2,0,0]=4 2951 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,2,0,0,0,0|2,0,0]=4 2952 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,2,0,0,0,0|2,0,0]=4 2953 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,2,0,0,0,0|0,0,2]=4 2954 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,2,0,0,0,0|0,0,2]=4 2955 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,2,0,0,0,0|0,0,1]=3 2956 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,2,0,0,0,0|1,0,0]=3 2957 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,2,0,0,0,0|1,0,0]=3 2958 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,2,0,0,0,0|1,0,0]=3 2959 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,2,0,0,0,0|1,0,0]=3 2960 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,2,0,0,0,0|1,0,0]=3 2961 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,2,0,0,0,0|0,0,0]=2 2962 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,2,0,0,0,0|0,0,0]=2 2963 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,2,0,0,0,0|0,0,0]=2 2964 B8R0.7 COCCNCC(F)F 2230a_100000209980_100011934356 [0,2,0,0,0,0|1,0,0]=3 2965 B8R0.7 COCCNCC(F)F 34a_100000765723_100011201679 [0,2,0,0,0,0|1,0,0]=3 2966 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,2,0,0,0,0|0,0,0]=2 2967 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [0,2,0,0,0,0|2,0,0]=4 2968 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [0,2,0,0,0,0|2,0,0]=4 2969 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [0,2,0,0,0,0|2,0,0]=4 2970 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [0,2,0,0,0,0|2,0,0]=4 2971 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [0,2,0,0,0,0|2,0,0]=4 2972 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [0,2,0,0,0,0|2,0,0]=4 2973 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [0,2,0,0,0,0|1,0,0]=3 2974 B8R0.7 COCCOCC(F)F 34a_100000210237_100011934356 [0,2,0,0,0,0|2,0,0]=4 2975 B8R0.7 COCCOCC(F)F 34a_100000704375_200000210301 [0,2,0,0,0,0|2,0,0]=4 2976 B8R0.7 COCCOCC(F)F 34a_100000743014_100011201679 [0,2,0,0,0,0|2,0,0]=4 2977 B8R0.7 COCCOCC(F)F 34a_100138415774_200012177212 [0,2,0,0,0,0|2,0,0]=4 2978 B8R0.7 COCCOCC(F)F 7a_100000704375_200000210301 [0,2,0,0,0,0|2,0,0]=4 2979 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [0,2,0,0,0,0|2,0,0]=4 2980 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [0,2,0,0,0,0|2,0,0]=4 2981 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [0,2,0,0,0,0|1,0,0]=3 2982 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,2,0,0,0,0|2,0,0]=4 2983 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,2,0,0,0,0|2,0,0]=4 2984 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,2,0,0,0,0|2,0,0]=4 2985 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,2,0,0,0,0|2,0,0]=4 2986 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,2,0,0,0,0|1,0,0]=3 2987 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,2,0,0,0,0|1,0,0]=3 2988 B8R0.7 COCCSCC(F)F 62a_100000233755_100011934356 [0,2,0,0,0,0|2,0,0]=4 2989 B8R0.7 COCCSCC(F)F 62a_100011934356_100000233755 [0,2,0,0,0,0|2,0,0]=4 2990 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,2,0,0,0,0|1,0,0]=3 2991 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,2,0,0,0,0|1,0,0]=3 2992 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,2,0,0,0,0|2,0,0]=4 2993 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,2,0,0,0,0|2,0,0]=4 2994 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,2,0,0,0,0|2,0,0]=4 2995 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,2,0,0,0,0|0,1,1]=4 2996 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,2,0,0,0,0|1,1,0]=4 2997 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,2,0,0,0,0|1,1,0]=4 2998 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,2,0,0,0,0|1,1,0]=4 2999 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,2,0,0,0,0|1,1,0]=4 3000 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,2,0,0,0,0|0,1,0]=3 3001 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,2,0,0,0,0|0,1,0]=3 3002 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,2,0,0,0,0|0,1,0]=3 3003 B8R0.7 CSCCNCC(F)F 2230a_100020590264_100011934356 [0,2,0,0,0,0|1,1,0]=4 3004 B8R0.7 CSCCNCC(F)F 34a_100000765723_100000212216 [0,2,0,0,0,0|1,1,0]=4 3005 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,2,0,0,0,0|0,1,0]=3 3006 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,2,0,0,0,0|1,1,0]=4 3007 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,2,0,0,0,0|1,1,0]=4 3008 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,2,0,0,0,0|1,1,0]=4 3009 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,2,0,0,0,0|1,1,0]=4 3010 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,2,0,0,0,0|1,1,0]=4 3011 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,2,0,0,0,0|1,1,0]=4 3012 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,2,0,0,0,0|1,1,0]=4 3013 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,2,0,0,0,0|1,1,0]=4 3014 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,2,0,0,0,0|2,0,0]=4 3015 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [0,2,0,0,0,0|2,0,0]=4 3016 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,2,0,0,0,0|2,0,0]=4 3017 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [0,2,0,0,0,0|2,0,0]=4 3018 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,2,0,0,0,0|1,0,0]=3 3019 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,2,0,0,0,0|1,0,0]=3 3020 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,2,0,0,0,0|2,0,0]=4 3021 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,2,0,0,0,0|2,0,0]=4 3022 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,2,0,0,0,0|2,0,0]=4 3023 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,2,0,0,0,0|2,0,0]=4 3024 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [0,2,0,0,0,0|1,0,0]=3 3025 B8R0.7 C[C@@H](O)CSCCC#N 62a_100009817552_100011215226 [0,2,0,0,0,0|2,0,0]=4 3026 B8R0.7 C[C@@H](O)CSCCC#N 62a_100011215226_100009817552 [0,2,0,0,0,0|2,0,0]=4 3027 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,2,0,0,0,0|2,0,0]=4 3028 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,2,0,0,0,0|2,0,0]=4 3029 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,2,0,0,0,0|1,0,0]=3 3030 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,2,0,0,0,0|1,0,0]=3 3031 B8R0.7 FCCCNCC(F)F 2230a_100015189416_100011934356 [0,2,0,0,0,0|2,0,0]=4 3032 B8R0.7 FCCCNCC(F)F 34a_100000765723_100011934791 [0,2,0,0,0,0|2,0,0]=4 3033 B8R0.7 FCCCNCC(F)F 34a_100015189416_100011934356 [0,2,0,0,0,0|2,0,0]=4 3034 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,2,0,0,0,0|1,0,1]=4 3035 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,2,0,0,0,0|1,0,1]=4 3036 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,2,0,0,0,0|0,0,1]=3 3037 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,2,0,0,0,0|0,0,1]=3 3038 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,2,0,0,0,0|1,0,1]=4 3039 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,2,0,0,0,0|1,0,1]=4 3040 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,2,0,0,0,0|1,0,1]=4 3041 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,2,0,0,0,0|1,0,1]=4 3042 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,2,0,0,0,0|0,0,2]=4 3043 B8R0.7 NOCCOCC(F)F 34a_100000700252_100011934356 [0,2,0,0,0,0|2,0,0]=4 3044 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,2,0,0,0,0|1,0,1]=4 3045 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,2,0,0,0,0|0,0,1]=3 3046 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,2,0,0,0,0|1,0,1]=4 3047 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,2,0,0,0,0|0,0,1]=3 3048 B8R0.7 OCCCNCC(F)F 34a_100000765723_100000230001 [0,2,0,0,0,0|1,0,0]=3 3049 B8R0.7 OCCCOCC(F)F 34a_100000743014_100000230001 [0,2,0,0,0,0|2,0,0]=4 3050 B8R0.7 OCCCSCC(F)F 62a_100011215043_100011934356 [0,2,0,0,0,0|2,0,0]=4 3051 B8R0.7 OCCCSCC(F)F 62a_100011934356_100011215043 [0,2,0,0,0,0|2,0,0]=4 3052 B8R0.7 OCCOCCC(F)F 34a_100103093639_100000211926 [0,2,0,0,0,0|2,0,0]=4 3053 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,2,0,0,0,0|1,0,1]=4 3054 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,2,0,0,0,0|1,0,1]=4 3055 B8R0.7 [13CH3]OCCOCC(F)F 34a_100000704375_200025704644 [0,2,0,0,0,0|2,0,0]=4 3056 B8R0.7 [13CH3]OCCOCC(F)F 7a_100000704375_200025704644 [0,2,0,0,0,0|2,0,0]=4 3057 B8R0.3 C#CCN(C)C(C)CO 2230a_100000225692_100012180447 [0,2,0,0,0,0|1,0,1]=4 3058 B8R0.3 C#CCN(C)C(C)CO 2230a_100000693034_100000038162 [0,2,0,0,0,0|1,0,1]=4 3059 B8R0.3 C#CCN(C)C(C)CO 34a_100000225692_100012180447 [0,2,0,0,0,0|1,0,1]=4 3060 B8R0.3 C=CC(C)N(C)CCO 269982a_100000210263_100011215867 [0,2,0,0,0,0|1,0,1]=4 3061 B8R0.3 C=CCN(C)C(C)CO 2230a_100000225617_100012180447 [0,2,0,0,0,0|1,0,1]=4 3062 B8R0.3 C=CCN(C)C(C)CO 2230a_100000693034_100000210623 [0,2,0,0,0,0|1,0,1]=4 3063 B8R0.3 C=CCN(C)C(C)CO 269982a_100000693034_100000210623 [0,2,0,0,0,0|1,0,1]=4 3064 B8R0.3 C=CCN(C)[C@H](C)CO 269982a_100000225617_100016084084 [0,2,0,0,0,0|1,0,1]=4 3065 B8R0.3 CC(C#N)N(C)CCO 2230a_100000210263_100000184139 [0,2,0,0,0,0|1,0,1]=4 3066 B8R0.3 CC(C#N)N(C)CCO 269982a_100000210263_100000703298 [0,2,0,0,0,0|1,0,1]=4 3067 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|1,0,1]=4 3068 B8R0.3 CC(CO)N(C)CC#N 2230a_100000693034_100011215382 [0,2,0,0,0,0|1,0,1]=4 3069 B8R0.3 CC(CO)N(C)CC#N 2230a_100000748184_100012180447 [0,2,0,0,0,0|1,0,1]=4 3070 B8R0.3 CC(CO)N(C)CC#N 269982a_100000693034_100011214920 [0,2,0,0,0,0|1,0,1]=4 3071 B8R0.3 CC(CO)N(C)CC=O 2230a_100000693034_200015260668 [0,2,0,0,0,0|0,0,2]=4 3072 B8R0.3 CC(CO)N(C)CC=O 269982a_100000693034_200015260668 [0,2,0,0,0,0|0,0,2]=4 3073 B8R0.3 CC(CO)N(C)CCF 2230a_100000693034_100011217306 [0,2,0,0,0,0|1,0,0]=3 3074 B8R0.3 CC(CO)N(C)CCF 269982a_100000693034_100011217306 [0,2,0,0,0,0|1,0,0]=3 3075 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [0,2,0,0,0,0|0,0,0]=2 3076 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [0,2,0,0,0,0|0,0,0]=2 3077 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [0,2,0,0,0,0|0,0,0]=2 3078 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|1,0,1]=4 3079 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|1,0,1]=4 3080 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|2,0,0]=4 3081 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|2,0,0]=4 3082 B8R0.3 CCC(C)N(C)CCF 2230a_100000741768_100011217306 [0,2,0,0,0,0|2,0,0]=4 3083 B8R0.3 CCC(C)N(C)CCF 269982a_100000741768_100011217306 [0,2,0,0,0,0|2,0,0]=4 3084 B8R0.3 CCC(C)N(C)CCO 2230a_100000210263_100000758301 [0,2,0,0,0,0|1,0,0]=3 3085 B8R0.3 CCC(C)N(C)CCO 2230a_100000741768_100000211926 [0,2,0,0,0,0|1,0,0]=3 3086 B8R0.3 CCC(C)N(C)CCO 269982a_100000210263_100000758301 [0,2,0,0,0,0|1,0,0]=3 3087 B8R0.3 CCC(C)N(C)CCO 269982a_100000741768_100000211926 [0,2,0,0,0,0|1,0,0]=3 3088 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|2,0,0]=4 3089 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,2,0,0,0,0|2,0,0]=4 3090 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|1,0,1]=4 3091 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|1,0,1]=4 3092 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,2,0,0,0,0|2,0,0]=4 3093 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,2,0,0,0,0|2,0,0]=4 3094 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,2,0,0,0,0|2,0,0]=4 3095 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,2,0,0,0,0|2,0,0]=4 3096 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,2,0,0,0,0|2,0,0]=4 3097 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,2,0,0,0,0|2,0,0]=4 3098 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,2,0,0,0,0|1,0,0]=3 3099 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,2,0,0,0,0|1,0,0]=3 3100 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,2,0,0,0,0|1,0,0]=3 3101 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,2,0,0,0,0|1,0,0]=3 3102 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,2,0,0,0,0|1,0,0]=3 3103 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,2,0,0,0,0|1,0,0]=3 3104 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,2,0,0,0,0|2,0,0]=4 3105 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,2,0,0,0,0|2,0,0]=4 3106 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,2,0,0,0,0|1,0,0]=3 3107 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,2,0,0,0,0|1,0,0]=3 3108 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|0,0,1]=3 3109 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|0,0,1]=3 3110 B8R0.3 COC(C)N(C)CCO 269982a_100000210263_100009879195 [0,2,0,0,0,0|2,0,0]=4 3111 B8R0.3 COCN(C)C(C)CO 2230a_100000693034_100000766300 [0,2,0,0,0,0|2,0,0]=4 3112 B8R0.3 COCN(C)C(C)CO 269982a_100000693034_100000766300 [0,2,0,0,0,0|2,0,0]=4 3113 B8R0.3 CSCN(C)C(C)CO 2230a_100000693034_100011218213 [0,2,0,0,0,0|2,0,0]=4 3114 B8R0.3 CSCN(C)C(C)CO 269982a_100000693034_100011218213 [0,2,0,0,0,0|2,0,0]=4 3115 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [0,2,0,0,0,0|0,0,0]=2 3116 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,2,0,0,0,0|2,0,0]=4 3117 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,2,0,0,0,0|1,0,0]=3 3118 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,2,0,0,0,0|1,0,1]=4 3119 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,2,0,0,0,0|0,0,2]=4 3120 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,2,0,0,0,0|1,0,1]=4 3121 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,2,0,0,0,0|1,0,1]=4 3122 B8R0.8 CC(C)C(C)NCCF 2230a_100000211541_100011217306 [0,2,0,0,0,0|2,0,0]=4 3123 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [0,2,0,0,0,0|1,0,0]=3 3124 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,2,0,0,0,0|2,0,0]=4 3125 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,2,0,0,0,0|1,0,1]=4 3126 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,2,0,0,0,0|1,0,1]=4 3127 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,2,0,0,0,0|0,0,2]=4 3128 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,2,0,0,0,0|0,0,2]=4 3129 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,2,0,0,0,0|1,0,1]=4 3130 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|1,0,1]=4 3131 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|1,0,1]=4 3132 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|1,0,1]=4 3133 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,2,0,0,0,0|2,0,0]=4 3134 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|1,0,1]=4 3135 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,2,0,0,0,0|0,0,2]=4 3136 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,2,0,0,0,0|0,0,2]=4 3137 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|1,0,1]=4 3138 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,2,0,0,0,0|1,0,1]=4 3139 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|0,0,1]=3 3140 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|1,0,1]=4 3141 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|0,0,1]=3 3142 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|1,0,1]=4 3143 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,2,0,0,0,0|1,0,1]=4 3144 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,2,0,0,0,0|1,0,1]=4 3145 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|0,0,1]=3 3146 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,2,0,0,0,0|0,0,2]=4 3147 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,2,0,0,0,0|0,0,2]=4 3148 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,2,0,0,0,0|1,0,1]=4 3149 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,2,0,0,0,0|1,0,1]=4 3150 B8R0.8 O=C(NCCO)C(F)F 240690a_100000210304_100000210393 [0,2,0,0,0,0|1,0,1]=4 3151 B8R0.8 O=C(NCCO)C(F)F 527a_100000210304_100000210393 [0,2,0,0,0,0|1,0,1]=4 3152 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,2,0,0,0,0|0,0,1]=3 3153 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,2,0,0,0,0|0,0,2]=4 3154 B8R0.9 C#CC(C)NCC(C)O 2230a_100000707721_100011218427 [0,2,0,0,0,0|1,0,1]=4 3155 B8R0.9 C#CC(C)NCC(C)O 34a_100000210904_200000035995 [0,2,0,0,0,0|1,0,1]=4 3156 B8R0.9 C#CC(C)NCC(C)O 34a_100000707721_100011218427 [0,2,0,0,0,0|1,0,1]=4 3157 B8R0.9 C#CC(C)NC[C@@H](C)O 2230a_100000707721_100009817552 [0,2,0,0,0,0|1,0,1]=4 3158 B8R0.9 C#CC(C)NC[C@@H](C)O 34a_100000707721_100009817552 [0,2,0,0,0,0|1,0,1]=4 3159 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [0,2,0,0,0,0|1,0,1]=4 3160 B8R0.9 C=C(F)CN[C@H](C)CO 2230a_100000737577_100009893438 [0,2,0,0,0,0|1,0,1]=4 3161 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,2,0,0,0,0|2,0,0]=4 3162 B8R0.9 CC(C#N)NC[C@@H](C)O 2230a_100000737613_100009817552 [0,2,0,0,0,0|1,0,1]=4 3163 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,2,0,0,0,0|1,0,1]=4 3164 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,2,0,0,0,0|1,0,1]=4 3165 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,2,0,0,0,0|1,0,0]=3 3166 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,2,0,0,0,0|1,0,0]=3 3167 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,2,0,0,0,0|2,0,0]=4 3168 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,2,0,0,0,0|1,0,0]=3 3169 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,2,0,0,0,0|1,0,0]=3 3170 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,2,0,0,0,0|2,0,0]=4 3171 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,2,0,0,0,0|2,0,0]=4 3172 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,2,0,0,0,0|2,0,0]=4 3173 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,2,0,0,0,0|2,0,0]=4 3174 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,2,0,0,0,0|2,0,0]=4 3175 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,2,0,0,0,0|2,0,0]=4 3176 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,2,0,0,0,0|2,0,0]=4 3177 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,2,0,0,0,0|0,0,2]=4 3178 B8R0.9 CC(CO)NCC(F)F 34a_100000765723_100012180447 [0,2,0,0,0,0|1,0,0]=3 3179 B8R0.9 CC(CO)OCC(F)F 34a_100000743014_100012180447 [0,2,0,0,0,0|2,0,0]=4 3180 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,2,0,0,0,0|2,0,0]=4 3181 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,2,0,0,0,0|2,0,0]=4 3182 B8R0.9 CC(CO)SCC(F)F 62a_100012180447_100011934356 [0,2,0,0,0,0|2,0,0]=4 3183 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,2,0,0,0,0|1,0,0]=3 3184 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,2,0,0,0,0|2,0,0]=4 3185 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,2,0,0,0,0|1,0,1]=4 3186 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,2,0,0,0,0|0,0,1]=3 3187 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,2,0,0,0,0|0,0,1]=3 3188 B8R0.9 CC(O)CNC(C)C#N 2230a_100000210904_100000184139 [0,2,0,0,0,0|1,0,1]=4 3189 B8R0.9 CC(O)CNC(C)C#N 2230a_100000737613_100011218427 [0,2,0,0,0,0|1,0,1]=4 3190 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,2,0,0,0,0|0,0,0]=2 3191 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,2,0,0,0,0|0,0,0]=2 3192 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,2,0,0,0,0|0,0,0]=2 3193 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,2,0,0,0,0|2,0,0]=4 3194 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,2,0,0,0,0|2,0,0]=4 3195 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,2,0,0,0,0|2,0,0]=4 3196 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,2,0,0,0,0|1,0,0]=3 3197 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,2,0,0,0,0|1,0,0]=3 3198 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,2,0,0,0,0|1,0,0]=3 3199 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,2,0,0,0,0|1,0,1]=4 3200 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,2,0,0,0,0|1,0,1]=4 3201 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,2,0,0,0,0|1,0,1]=4 3202 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,2,0,0,0,0|1,0,1]=4 3203 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,2,0,0,0,0|2,0,0]=4 3204 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,2,0,0,0,0|2,0,0]=4 3205 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,2,0,0,0,0|2,0,0]=4 3206 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,2,0,0,0,0|2,0,0]=4 3207 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,2,0,0,0,0|1,0,0]=3 3208 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,2,0,0,0,0|1,0,0]=3 3209 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,2,0,0,0,0|1,0,0]=3 3210 B8R0.9 CCC(C)NCC(F)F 2230a_100000209981_100011934356 [0,2,0,0,0,0|2,0,0]=4 3211 B8R0.9 CCC(C)NCC(F)F 34a_100000765723_100011215416 [0,2,0,0,0,0|2,0,0]=4 3212 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,2,0,0,0,0|1,0,0]=3 3213 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,2,0,0,0,0|2,0,0]=4 3214 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,2,0,0,0,0|2,0,0]=4 3215 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,2,0,0,0,0|2,0,0]=4 3216 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,2,0,0,0,0|2,0,0]=4 3217 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,2,0,0,0,0|2,0,0]=4 3218 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,2,0,0,0,0|2,0,0]=4 3219 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,2,0,0,0,0|0,0,2]=4 3220 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,2,0,0,0,0|0,0,1]=3 3221 B8R0.9 C[C@H](CO)NCC(F)F 2230a_100000737577_100011934356 [0,2,0,0,0,0|1,0,0]=3 3222 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,2,0,0,0,0|0,0,0]=2 3223 B8R0.9 C[C@H](CO)SCC(F)F 62a_100011934356_100016084084 [0,2,0,0,0,0|2,0,0]=4 3224 B8R0.9 C[C@H](CO)SCC(F)F 62a_100016084084_100011934356 [0,2,0,0,0,0|2,0,0]=4 3225 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,2,0,0,0,0|1,0,0]=3 3226 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,2,0,0,0,0|1,0,0]=3 3227 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,2,0,0,0,0|1,0,1]=4 3228 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,2,0,0,0,0|1,0,1]=4 3229 B8R0.11 C#CC(CC)OCCO 34a_100000758843_100000211926 [0,2,0,0,0,0|2,0,0]=4 3230 B8R0.11 C#CC(CC)OCCO 7a_100000758843_100000211926 [0,2,0,0,0,0|2,0,0]=4 3231 B8R0.11 C#CCNC(CO)CO 2230a_100000759517_100000038162 [0,2,0,0,0,0|1,0,1]=4 3232 B8R0.11 C#CCN[C@@H](C=C)CO 2230a_100016989147_100000038162 [0,2,0,0,0,0|1,0,1]=4 3233 B8R0.11 C#CCN[C@@H](C=C)CO 34a_100016989147_100000184674 [0,2,0,0,0,0|1,0,1]=4 3234 B8R0.11 C#CCN[C@@H](CC)CO 2230a_100000709445_100000038162 [0,2,0,0,0,0|1,0,1]=4 3235 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,2,0,0,0,0|2,0,0]=4 3236 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,2,0,0,0,0|2,0,0]=4 3237 B8R0.11 C=CCNC(CO)CO 2230a_100000759517_100000210623 [0,2,0,0,0,0|1,0,1]=4 3238 B8R0.11 C=CCN[C@@H](C=C)CO 2230a_100016989147_100000210623 [0,2,0,0,0,0|1,0,1]=4 3239 B8R0.11 C=CCN[C@@H](C=C)CO 34a_100016989147_100015514636 [0,2,0,0,0,0|1,0,1]=4 3240 B8R0.11 C=CCN[C@@H](CC)CO 2230a_100000709445_100000210623 [0,2,0,0,0,0|1,0,1]=4 3241 B8R0.11 C=C[C@@H](CO)NCC#N 2230a_100016989147_100011215382 [0,2,0,0,0,0|1,0,1]=4 3242 B8R0.11 C=C[C@@H](CO)NCC=O 2230a_100016989147_200015260668 [0,2,0,0,0,0|0,0,2]=4 3243 B8R0.11 C=C[C@@H](CO)NCC=O 34a_100016989147_200009817547 [0,2,0,0,0,0|0,0,2]=4 3244 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [0,2,0,0,0,0|1,0,0]=3 3245 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [0,2,0,0,0,0|1,0,0]=3 3246 B8R0.11 C=C[C@@H](CO)NCCF 2230a_100016989147_100011217306 [0,2,0,0,0,0|1,0,0]=3 3247 B8R0.11 C=C[C@@H](CO)NCCF 34a_100016989147_100011217306 [0,2,0,0,0,0|1,0,0]=3 3248 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [0,2,0,0,0,0|0,0,0]=2 3249 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [0,2,0,0,0,0|0,0,0]=2 3250 B8R0.11 C=C[C@@H](CO)NCOC 2230a_100016989147_100000766300 [0,2,0,0,0,0|2,0,0]=4 3251 B8R0.11 C=C[C@@H](CO)NCSC 2230a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 3252 B8R0.11 C=C[C@@H](CO)NCSC 34a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 3253 B8R0.11 CCC(CC)NCCF 2230a_100000199018_100011217306 [0,2,0,0,0,0|2,0,0]=4 3254 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [0,2,0,0,0,0|1,0,0]=3 3255 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [0,2,0,0,0,0|1,0,0]=3 3256 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [0,2,0,0,0,0|2,0,0]=4 3257 B8R0.11 CCC(CC)SCCO 62a_100000210505_100000211926 [0,2,0,0,0,0|2,0,0]=4 3258 B8R0.11 CCC(CC)SCCO 62a_100000211926_100000210505 [0,2,0,0,0,0|2,0,0]=4 3259 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [0,2,0,0,0,0|2,0,0]=4 3260 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [0,2,0,0,0,0|2,0,0]=4 3261 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [0,2,0,0,0,0|2,0,0]=4 3262 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [0,2,0,0,0,0|2,0,0]=4 3263 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,2,0,0,0,0|2,0,0]=4 3264 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,2,0,0,0,0|2,0,0]=4 3265 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [0,2,0,0,0,0|1,0,0]=3 3266 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,2,0,0,0,0|1,0,0]=3 3267 B8R0.11 CC[C@@H](CO)NCC#N 2230a_100000709445_100011215382 [0,2,0,0,0,0|1,0,1]=4 3268 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,2,0,0,0,0|0,0,2]=4 3269 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [0,2,0,0,0,0|1,0,0]=3 3270 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,2,0,0,0,0|0,0,0]=2 3271 B8R0.11 CC[C@@H](CO)NCOC 2230a_100000709445_100000766300 [0,2,0,0,0,0|2,0,0]=4 3272 B8R0.11 CC[C@@H](CO)NCSC 2230a_100000709445_100011218213 [0,2,0,0,0,0|2,0,0]=4 3273 B8R0.11 COCNC(CO)CO 2230a_100000759517_100000766300 [0,2,0,0,0,0|2,0,0]=4 3274 B8R0.11 CSCNC(CO)CO 2230a_100000759517_100011218213 [0,2,0,0,0,0|2,0,0]=4 3275 B8R0.11 N#CC(C#N)NCCO 2230a_100000106176_100000211926 [0,2,0,0,0,0|1,0,1]=4 3276 B8R0.11 N#CCNC(CO)CO 2230a_100000759517_100011215382 [0,2,0,0,0,0|1,0,1]=4 3277 B8R0.11 NCC(CN)OCCO 34a_100000031598_100000211926 [0,2,0,0,0,0|2,0,0]=4 3278 B8R0.11 O=CC(C=O)NCCO 2230a_100016997473_100000736813 [0,2,0,0,0,0|0,0,2]=4 3279 B8R0.11 O=CC(C=O)NCCO 34a_100016990907_100000736813 [0,2,0,0,0,0|0,0,2]=4 3280 B8R0.11 O=CCNC(CO)CO 2230a_100000759517_200015260668 [0,2,0,0,0,0|0,0,2]=4 3281 B8R0.11 OCC(CO)NCCF 2230a_100000759517_100011217306 [0,2,0,0,0,0|1,0,0]=3 3282 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [0,2,0,0,0,0|0,0,0]=2 3283 B8R0.11 OCCOC(CCl)CCl 7a_100000737055_100000211926 [0,2,0,0,0,0|2,0,0]=4 3284 B8R0.11 OCCOC(CF)CF 34a_100000032261_100000211926 [0,2,0,0,0,0|2,0,0]=4 3285 B8R0.11 OCCOC(CF)CF 7a_100000032261_100000211926 [0,2,0,0,0,0|2,0,0]=4 3286 B8R0.11 OCCO[C@@H](CF)CCl 34a_100015614560_100000211926 [0,2,0,0,0,0|2,0,0]=4 3287 B8R0.11 OCCO[C@@H](CF)CCl 7a_100015614560_100000211926 [0,2,0,0,0,0|2,0,0]=4 3288 B8R0.19 C#CC(C)NC(C)CO 2230a_100000707721_100012180447 [0,2,0,0,0,0|1,0,1]=4 3289 B8R0.19 C#CC(C)NC(C)CO 34a_100000707721_100012180447 [0,2,0,0,0,0|1,0,1]=4 3290 B8R0.19 CC(C#N)NC(C)CO 2230a_100000737613_100012180447 [0,2,0,0,0,0|1,0,1]=4 3291 B8R0.19 CC(C#N)N[C@H](C)CO 2230a_100000737577_100000184139 [0,2,0,0,0,0|1,0,1]=4 3292 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [0,2,0,0,0,0|2,0,0]=4 3293 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,2,0,0,0,0|0,0,0]=2 3294 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [0,2,0,0,0,0|2,0,0]=4 3295 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [0,2,0,0,0,0|2,0,0]=4 3296 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,2,0,0,0,0|1,0,0]=3 3297 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,2,0,0,0,0|1,0,1]=4 3298 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,2,0,0,0,0|1,0,1]=4 3299 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,2,0,0,0,0|1,0,1]=4 3300 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,2,0,0,0,0|1,0,1]=4 3301 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,2,0,0,0,0|2,0,0]=4 3302 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,2,0,0,0,0|1,0,0]=3 3303 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,2,0,0,0,0|1,0,0]=3 3304 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,2,0,0,0,0|2,0,0]=4 3305 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,2,0,0,0,0|2,0,0]=4 3306 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,2,0,0,0,0|2,0,0]=4 3307 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,2,0,0,0,0|2,0,0]=4 3308 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,2,0,0,0,0|1,0,1]=4 3309 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,2,0,0,0,0|1,0,1]=4 3310 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,2,0,0,0,0|1,0,1]=4 3311 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,2,0,0,0,0|0,0,1]=3 3312 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,2,0,0,0,0|0,0,1]=3 3313 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,2,0,0,0,0|1,0,0]=3 3314 B8R0.25 C#CC(C)(C)NCCO 34a_100000054563_100000211926 [0,2,0,0,0,0|1,0,1]=4 3315 B8R0.25 C#CC(C)(C)NCCO 34a_100016990907_100000038118 [0,2,0,0,0,0|1,0,1]=4 3316 B8R0.25 C#CCNC(C)(C)CO 2230a_100000210608_100000038162 [0,2,0,0,0,0|1,0,1]=4 3317 B8R0.25 C=CCNC(C)(C)CO 2230a_100000210608_100000210623 [0,2,0,0,0,0|1,0,1]=4 3318 B8R0.25 CC(C)(C#N)NCCO 34a_100016990907_100011162410 [0,2,0,0,0,0|1,0,1]=4 3319 B8R0.25 CC(C)(CCl)OCCO 7a_100000764493_100000211926 [0,2,0,0,0,0|2,0,0]=4 3320 B8R0.25 CC(C)(CO)NCC#N 2230a_100000210608_100011215382 [0,2,0,0,0,0|1,0,1]=4 3321 B8R0.25 CC(C)(CO)NCC=O 2230a_100000210608_200015260668 [0,2,0,0,0,0|0,0,2]=4 3322 B8R0.25 CC(C)(CO)NCCF 2230a_100000210608_100011217306 [0,2,0,0,0,0|1,0,0]=3 3323 B8R0.25 CC(C)(CO)NCCO 2230a_100000210608_100000211926 [0,2,0,0,0,0|0,0,0]=2 3324 B8R0.25 CCC(C)(C)NCCF 2230a_100000211385_100011217306 [0,2,0,0,0,0|2,0,0]=4 3325 B8R0.25 CCC(C)(C)NCCO 2230a_100000211385_100000211926 [0,2,0,0,0,0|1,0,0]=3 3326 B8R0.25 CCC(C)(C)OCCO 7a_100000210230_100000211926 [0,2,0,0,0,0|2,0,0]=4 3327 B8R0.25 CCC(C)(C)SCCO 62a_100000032637_100000211926 [0,2,0,0,0,0|2,0,0]=4 3328 B8R0.25 CCC(C)(C)SCCO 62a_100000211926_100000032637 [0,2,0,0,0,0|2,0,0]=4 3329 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [0,2,0,0,0,0|2,0,0]=4 3330 B8R0.25 CCCNC(C)(C)CO 2230a_100000210608_100000210303 [0,2,0,0,0,0|1,0,0]=3 3331 B8R0.25 CCCSC(F)(F)CO 62a_100000210303_100011217949 [0,2,0,0,0,0|2,0,0]=4 3332 B8R0.25 CCCSC(F)(F)CO 62a_100011217949_100000210303 [0,2,0,0,0,0|2,0,0]=4 3333 B8R0.25 CCS(=O)(=O)NCCO 270084a_100000210304_100000211323 [0,2,0,0,0,0|2,0,0]=4 3334 B8R0.25 CCS(=O)(=O)NCCO 274078a_100000210304_100000211323 [0,2,0,0,0,0|2,0,0]=4 3335 B8R0.25 CCS(=O)(=O)NCCO 40a_100000210304_100000053943 [0,2,0,0,0,0|2,0,0]=4 3336 B8R0.25 COCNC(C)(C)CO 2230a_100000210608_100000766300 [0,2,0,0,0,0|2,0,0]=4 3337 B8R0.25 CSCNC(C)(C)CO 2230a_100000210608_100011218213 [0,2,0,0,0,0|2,0,0]=4 3338 B8R0.25 O=S(=O)(CCl)NCCO 270084a_100000210304_100000031410 [0,2,0,0,0,0|2,0,0]=4 3339 B8R0.25 O=S(=O)(CCl)NCCO 274078a_100000210304_100000031410 [0,2,0,0,0,0|2,0,0]=4 3340 B8R0.25 OCC(F)(F)SCCF 62a_100011217306_100011217949 [0,2,0,0,0,0|2,0,0]=4 3341 B8R0.25 OCC(F)(F)SCCF 62a_100011217949_100011217306 [0,2,0,0,0,0|2,0,0]=4 3342 B8R0.25 OCCSC(F)(F)CO 62a_100000211926_100011217949 [0,2,0,0,0,0|1,0,0]=3 3343 B8R0.25 OCCSC(F)(F)CO 62a_100011217949_100000211926 [0,2,0,0,0,0|1,0,0]=3 3344 B8R0.5 C#CCN(C)CC(C)O 2230a_100000225692_100011218427 [0,2,0,0,0,0|1,0,1]=4 3345 B8R0.5 C#CCN(C)CC(C)O 2230a_100000227577_100000038162 [0,2,0,0,0,0|1,0,1]=4 3346 B8R0.5 C#CCN(C)CC(C)O 34a_100000225692_100011218427 [0,2,0,0,0,0|1,0,1]=4 3347 B8R0.5 C#CCN(C)C[C@@H](C)O 2230a_100000225692_100009817552 [0,2,0,0,0,0|1,0,1]=4 3348 B8R0.5 C#CCN(C)C[C@@H](C)O 34a_100000225692_100009817552 [0,2,0,0,0,0|1,0,1]=4 3349 B8R0.5 C=C(C)CN(C)CCO 2230a_100000210263_100000748629 [0,2,0,0,0,0|1,0,1]=4 3350 B8R0.5 C=C(C)CN(C)CCO 2230a_100000225649_100000211926 [0,2,0,0,0,0|1,0,1]=4 3351 B8R0.5 C=C(C)CN(C)CCO 269982a_100000210263_100000748629 [0,2,0,0,0,0|1,0,1]=4 3352 B8R0.5 C=C(C)CN(C)CCO 269982a_100000225649_100000211926 [0,2,0,0,0,0|1,0,1]=4 3353 B8R0.5 C=C(F)CN(C)CCO 2230a_100000210263_100009893438 [0,2,0,0,0,0|1,0,1]=4 3354 B8R0.5 C=C(F)CN(C)CCO 269982a_100000210263_100009893438 [0,2,0,0,0,0|1,0,1]=4 3355 B8R0.5 C=CCN(C)CC(C)O 2230a_100000225617_100011218427 [0,2,0,0,0,0|1,0,1]=4 3356 B8R0.5 C=CCN(C)CC(C)O 2230a_100000227577_100000210623 [0,2,0,0,0,0|1,0,1]=4 3357 B8R0.5 C=CCN(C)CC(C)O 269982a_100000225617_100011218427 [0,2,0,0,0,0|1,0,1]=4 3358 B8R0.5 C=CCN(C)CC(C)O 269982a_100000227577_100000210623 [0,2,0,0,0,0|1,0,1]=4 3359 B8R0.5 C=CCN(C)C[C@@H](C)O 2230a_100000225617_100009817552 [0,2,0,0,0,0|1,0,1]=4 3360 B8R0.5 C=CCN(C)C[C@@H](C)O 269982a_100000225617_100009817552 [0,2,0,0,0,0|1,0,1]=4 3361 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,2,0,0,0,0|2,0,0]=4 3362 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,2,0,0,0,0|2,0,0]=4 3363 B8R0.5 CC(C)CN(C)CCF 2230a_100000747067_100011217306 [0,2,0,0,0,0|2,0,0]=4 3364 B8R0.5 CC(C)CN(C)CCF 269982a_100000747067_100011217306 [0,2,0,0,0,0|2,0,0]=4 3365 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,2,0,0,0,0|1,0,0]=3 3366 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,2,0,0,0,0|1,0,0]=3 3367 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,2,0,0,0,0|1,0,0]=3 3368 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,2,0,0,0,0|1,0,0]=3 3369 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,2,0,0,0,0|1,0,0]=3 3370 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,2,0,0,0,0|1,0,0]=3 3371 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,2,0,0,0,0|1,0,0]=3 3372 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,2,0,0,0,0|1,0,0]=3 3373 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,2,0,0,0,0|1,0,0]=3 3374 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,2,0,0,0,0|1,0,0]=3 3375 B8R0.5 CC(O)CN(C)CC#N 2230a_100000227577_100011215382 [0,2,0,0,0,0|1,0,1]=4 3376 B8R0.5 CC(O)CN(C)CC#N 2230a_100000748184_100011218427 [0,2,0,0,0,0|1,0,1]=4 3377 B8R0.5 CC(O)CN(C)CC#N 269982a_100000227577_100011214920 [0,2,0,0,0,0|1,0,1]=4 3378 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [0,2,0,0,0,0|0,0,2]=4 3379 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [0,2,0,0,0,0|0,0,2]=4 3380 B8R0.5 CC(O)CN(C)CCF 2230a_100000227577_100011217306 [0,2,0,0,0,0|1,0,0]=3 3381 B8R0.5 CC(O)CN(C)CCF 269982a_100000227577_100011217306 [0,2,0,0,0,0|1,0,0]=3 3382 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,2,0,0,0,0|0,0,0]=2 3383 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,2,0,0,0,0|0,0,0]=2 3384 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,2,0,0,0,0|0,0,0]=2 3385 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,2,0,0,0,0|0,0,0]=2 3386 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,2,0,0,0,0|0,0,0]=2 3387 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,2,0,0,0,0|0,0,0]=2 3388 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,2,0,0,0,0|0,0,0]=2 3389 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,2,0,0,0,0|0,0,0]=2 3390 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,2,0,0,0,0|2,0,0]=4 3391 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,2,0,0,0,0|2,0,0]=4 3392 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|1,0,1]=4 3393 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,2,0,0,0,0|2,0,0]=4 3394 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,2,0,0,0,0|2,0,0]=4 3395 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,2,0,0,0,0|2,0,0]=4 3396 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,2,0,0,0,0|2,0,0]=4 3397 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,2,0,0,0,0|2,0,0]=4 3398 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,2,0,0,0,0|1,0,0]=3 3399 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,2,0,0,0,0|1,0,0]=3 3400 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,2,0,0,0,0|1,0,0]=3 3401 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,2,0,0,0,0|1,0,0]=3 3402 B8R0.5 CCCN(C)CC(F)F 2230a_100000747261_100011934356 [0,2,0,0,0,0|2,0,0]=4 3403 B8R0.5 CCCN(C)CC(F)F 269982a_100000747261_100011934356 [0,2,0,0,0,0|2,0,0]=4 3404 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,2,0,0,0,0|1,0,0]=3 3405 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,2,0,0,0,0|1,0,0]=3 3406 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,2,0,0,0,0|1,0,1]=4 3407 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,2,0,0,0,0|0,0,2]=4 3408 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,2,0,0,0,0|0,0,2]=4 3409 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,2,0,0,0,0|0,0,2]=4 3410 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,2,0,0,0,0|0,0,1]=3 3411 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,2,0,0,0,0|0,0,1]=3 3412 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,2,0,0,0,0|0,0,2]=4 3413 B8R0.5 CN(CCO)CC(F)F 2230a_100000210263_100011934356 [0,2,0,0,0,0|1,0,0]=3 3414 B8R0.5 CN(CCO)CC(F)F 269982a_100000210263_100011934356 [0,2,0,0,0,0|1,0,0]=3 3415 B8R0.5 CN(CCO)C[N+](=O)[O-] 269982a_100000210263_100000761209 [0,2,0,0,0,0|1,0,1]=4 3416 B8R0.5 COCN(C)CC(C)O 2230a_100000227577_100000766300 [0,2,0,0,0,0|2,0,0]=4 3417 B8R0.5 COCN(C)CC(C)O 269982a_100000227577_100000766300 [0,2,0,0,0,0|2,0,0]=4 3418 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [0,2,0,0,0,0|2,0,0]=4 3419 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [0,2,0,0,0,0|2,0,0]=4 3420 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,2,0,0,0,0|2,0,0]=4 3421 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,2,0,0,0,0|1,0,0]=3 3422 B8R0.5 C[C@@H](O)CN(C)CC#N 2230a_100000748184_100009817552 [0,2,0,0,0,0|1,0,1]=4 3423 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,2,0,0,0,0|0,0,0]=2 3424 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,2,0,0,0,0|0,0,0]=2 3425 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [0,2,0,0,0,0|2,0,0]=4 3426 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,2,0,0,0,0|0,0,1]=3 3427 B8R0.21 C#CCNCC(C)(C)O 2230a_100000751335_100000038162 [0,2,0,0,0,0|1,0,1]=4 3428 B8R0.21 C#CCNCC(C)(C)O 34a_100000212058_100000764493 [0,2,0,0,0,0|1,0,1]=4 3429 B8R0.21 C=CCNCC(C)(C)O 2230a_100000751335_100000210623 [0,2,0,0,0,0|1,0,1]=4 3430 B8R0.21 CC(C)(C)CNCCF 2230a_100000743828_100011217306 [0,2,0,0,0,0|2,0,0]=4 3431 B8R0.21 CC(C)(C)CNCCF 34a_100000724931_100011219605 [0,2,0,0,0,0|2,0,0]=4 3432 B8R0.21 CC(C)(C)CNCCO 2230a_100000743828_100000211926 [0,2,0,0,0,0|1,0,0]=3 3433 B8R0.21 CC(C)(C)CNCCO 270004a_100000210304_100011204126 [0,2,0,0,0,0|1,0,0]=3 3434 B8R0.21 CC(C)(C)CNCCO 34a_100016990907_100011219605 [0,2,0,0,0,0|1,0,0]=3 3435 B8R0.21 CC(C)(C)CSCCO 62a_100000211926_100011219605 [0,2,0,0,0,0|2,0,0]=4 3436 B8R0.21 CC(C)(C)CSCCO 62a_100011219605_100000211926 [0,2,0,0,0,0|2,0,0]=4 3437 B8R0.21 CC(C)(F)CNCCF 2230a_100020643315_100011217306 [0,2,0,0,0,0|2,0,0]=4 3438 B8R0.21 CC(C)(F)CNCCF 34a_100000724931_100011997219 [0,2,0,0,0,0|2,0,0]=4 3439 B8R0.21 CC(C)(F)CNCCO 2230a_100020643315_100000211926 [0,2,0,0,0,0|1,0,0]=3 3440 B8R0.21 CC(C)(F)CNCCO 34a_100016990907_100011997219 [0,2,0,0,0,0|1,0,0]=3 3441 B8R0.21 CC(C)(F)COCCO 34a_100000716592_100000211926 [0,2,0,0,0,0|2,0,0]=4 3442 B8R0.21 CC(C)(F)CSCCO 62a_100000211926_100011997219 [0,2,0,0,0,0|2,0,0]=4 3443 B8R0.21 CC(C)(F)CSCCO 62a_100011997219_100000211926 [0,2,0,0,0,0|2,0,0]=4 3444 B8R0.21 CC(C)(O)CNCC#N 2230a_100000751335_100011215382 [0,2,0,0,0,0|1,0,1]=4 3445 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [0,2,0,0,0,0|0,0,2]=4 3446 B8R0.21 CC(C)(O)CNCCF 2230a_100000751335_100011217306 [0,2,0,0,0,0|1,0,0]=3 3447 B8R0.21 CC(C)(O)CNCCF 34a_100000724931_100000764493 [0,2,0,0,0,0|1,0,0]=3 3448 B8R0.21 CC(C)(O)CNCCO 2230a_100000751335_100000211926 [0,2,0,0,0,0|0,0,0]=2 3449 B8R0.21 CC(C)(O)CNCCO 34a_100016990907_100000764493 [0,2,0,0,0,0|0,0,0]=2 3450 B8R0.21 CC(C)(O)COCCBr 34a_100000211926_100000764493 [0,2,0,0,0,0|2,0,0]=4 3451 B8R0.21 CC(C)(O)COCCN 34a_100000210304_100000764493 [0,2,0,0,0,0|2,0,0]=4 3452 B8R0.21 CC(C)(O)CSCCF 62a_100000764493_100011217306 [0,2,0,0,0,0|2,0,0]=4 3453 B8R0.21 CC(C)(O)CSCCF 62a_100011217306_100000764493 [0,2,0,0,0,0|2,0,0]=4 3454 B8R0.21 CC(C)(O)CSCCO 62a_100000211926_100000764493 [0,2,0,0,0,0|1,0,0]=3 3455 B8R0.21 CC(C)(O)CSCCO 62a_100000764493_100000211926 [0,2,0,0,0,0|1,0,0]=3 3456 B8R0.21 CC(F)(F)COCCO 34a_100000068830_100000211926 [0,2,0,0,0,0|2,0,0]=4 3457 B8R0.21 CCCNCC(C)(C)C 2230a_100000743828_100000210303 [0,2,0,0,0,0|2,0,0]=4 3458 B8R0.21 CCCNCC(C)(C)C 270004a_100020643023_100011204126 [0,2,0,0,0,0|2,0,0]=4 3459 B8R0.21 CCCNCC(C)(C)F 2230a_100020643315_100000210303 [0,2,0,0,0,0|2,0,0]=4 3460 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [0,2,0,0,0,0|1,0,0]=3 3461 B8R0.21 CCCNCC(F)(F)F 34a_100000717047_100000210303 [0,2,0,0,0,0|2,0,0]=4 3462 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [0,2,0,0,0,0|2,0,0]=4 3463 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [0,2,0,0,0,0|2,0,0]=4 3464 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [0,2,0,0,0,0|2,0,0]=4 3465 B8R0.21 COCNCC(C)(C)O 2230a_100000751335_100000766300 [0,2,0,0,0,0|2,0,0]=4 3466 B8R0.21 CSCNCC(C)(C)O 2230a_100000751335_100011218213 [0,2,0,0,0,0|2,0,0]=4 3467 B8R0.21 C[Si](C)(C)CNCCO 2230a_100016997473_100000037933 [0,2,0,0,0,0|1,1,0]=4 3468 B8R0.21 FCCNCC(F)(F)F 34a_100000717047_100011217306 [0,2,0,0,0,0|2,0,0]=4 3469 B8R0.21 O=S(=O)([O-])CNCCO 34a_100016990907_100009817235 [0,2,0,0,0,0|1,0,1]=4 3470 B8R0.21 OCCNCC(F)(F)F 2230a_100016997473_100000763148 [0,2,0,0,0,0|1,0,0]=3 3471 B8R0.21 OCCNCC(F)(F)F 34a_100000717047_100000211926 [0,2,0,0,0,0|1,0,0]=3 3472 B8R0.21 OCCOCC(F)(F)Br 34a_100011217949_100000211926 [0,2,0,0,0,0|2,0,0]=4 3473 B8R0.21 OCCOCC(F)(F)Cl 34a_100000734434_100000211926 [0,2,0,0,0,0|2,0,0]=4 3474 B8R0.21 OCCOCC(F)(F)F 34a_100000210435_100000211926 [0,2,0,0,0,0|2,0,0]=4 3475 B8R0.21 OCCSCC(F)(F)F 62a_100000211926_100000763148 [0,2,0,0,0,0|2,0,0]=4 3476 B8R0.21 OCCSCC(F)(F)F 62a_100000763148_100000211926 [0,2,0,0,0,0|2,0,0]=4 3477 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,2,0,0,0,0|1,0,1]=4 3478 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,2,0,0,0,0|1,0,1]=4 3479 B8R0.28 C=C(F)CNCC(C)O 2230a_100000210904_100009893438 [0,2,0,0,0,0|1,0,1]=4 3480 B8R0.28 C=C(F)CNCC(C)O 34a_100000210904_100009893438 [0,2,0,0,0,0|1,0,1]=4 3481 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [0,2,0,0,0,0|2,0,0]=4 3482 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,2,0,0,0,0|1,0,1]=4 3483 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,2,0,0,0,0|2,0,0]=4 3484 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,2,0,0,0,0|2,0,0]=4 3485 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,2,0,0,0,0|2,0,0]=4 3486 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,2,0,0,0,0|1,0,0]=3 3487 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,2,0,0,0,0|1,0,0]=3 3488 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,2,0,0,0,0|1,0,0]=3 3489 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,2,0,0,0,0|1,0,0]=3 3490 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,2,0,0,0,0|1,0,0]=3 3491 B8R0.28 CC(C)CNCC(F)F 2230a_100000210953_100011934356 [0,2,0,0,0,0|2,0,0]=4 3492 B8R0.28 CC(C)CNCC(F)F 270004a_100000765723_100000210432 [0,2,0,0,0,0|2,0,0]=4 3493 B8R0.28 CC(C)CNCC(F)F 34a_100000210953_100011934356 [0,2,0,0,0,0|2,0,0]=4 3494 B8R0.28 CC(C)CNCC(F)F 34a_100000765723_100000210624 [0,2,0,0,0,0|2,0,0]=4 3495 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,2,0,0,0,0|1,0,0]=3 3496 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,2,0,0,0,0|1,0,0]=3 3497 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,2,0,0,0,0|2,0,0]=4 3498 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,2,0,0,0,0|2,0,0]=4 3499 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,2,0,0,0,0|2,0,0]=4 3500 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,2,0,0,0,0|2,0,0]=4 3501 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,2,0,0,0,0|2,0,0]=4 3502 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,2,0,0,0,0|2,0,0]=4 3503 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [0,2,0,0,0,0|2,0,0]=4 3504 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,2,0,0,0,0|0,0,2]=4 3505 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,2,0,0,0,0|0,0,2]=4 3506 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,2,0,0,0,0|0,0,2]=4 3507 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,2,0,0,0,0|0,0,1]=3 3508 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,2,0,0,0,0|0,0,2]=4 3509 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,2,0,0,0,0|0,0,0]=2 3510 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,2,0,0,0,0|0,0,0]=2 3511 B8R0.28 CC(O)CNCC(F)F 2230a_100000210904_100011934356 [0,2,0,0,0,0|1,0,0]=3 3512 B8R0.28 CC(O)CNCC(F)F 34a_100000210904_100011934356 [0,2,0,0,0,0|1,0,0]=3 3513 B8R0.28 CC(O)CNCC(F)F 34a_100000765723_100011218427 [0,2,0,0,0,0|1,0,0]=3 3514 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,2,0,0,0,0|0,0,0]=2 3515 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,2,0,0,0,0|0,0,0]=2 3516 B8R0.28 CC(O)CNC[N+](=O)[O-] 34a_100000210904_100000761209 [0,2,0,0,0,0|1,0,1]=4 3517 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [0,2,0,0,0,0|2,0,0]=4 3518 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [0,2,0,0,0,0|2,0,0]=4 3519 B8R0.28 CC(O)COCC(F)F 34a_100000743014_100011218427 [0,2,0,0,0,0|2,0,0]=4 3520 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,2,0,0,0,0|2,0,0]=4 3521 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,2,0,0,0,0|2,0,0]=4 3522 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,2,0,0,0,0|1,0,0]=3 3523 B8R0.28 CC(O)CSCC(F)F 62a_100011218427_100011934356 [0,2,0,0,0,0|2,0,0]=4 3524 B8R0.28 CC(O)CSCC(F)F 62a_100011934356_100011218427 [0,2,0,0,0,0|2,0,0]=4 3525 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,2,0,0,0,0|1,0,0]=3 3526 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,2,0,0,0,0|1,0,0]=3 3527 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,2,0,0,0,0|2,0,0]=4 3528 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,2,0,0,0,0|0,0,2]=4 3529 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,2,0,0,0,0|0,0,1]=3 3530 B8R0.28 C[C@@H](O)CNCC(F)F 34a_100000765723_100009817552 [0,2,0,0,0,0|1,0,0]=3 3531 B8R0.28 C[C@@H](O)COCC(F)F 34a_100000743014_100009817552 [0,2,0,0,0,0|2,0,0]=4 3532 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,2,0,0,0,0|2,0,0]=4 3533 B8R0.28 C[C@@H](O)CSCC(F)F 62a_100009817552_100011934356 [0,2,0,0,0,0|2,0,0]=4 3534 B8R0.28 C[C@@H](O)CSCC(F)F 62a_100011934356_100009817552 [0,2,0,0,0,0|2,0,0]=4 3535 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,2,0,0,0,0|1,0,0]=3 3536 B8R0.28 FC(F)CNCC(F)F 34a_100000765723_100011934356 [0,2,0,0,0,0|2,0,0]=4 3537 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,2,0,0,0,0|1,0,1]=4 3538 B8R0.22 C#CCN(CC)CCO 2230a_100000210973_100000038162 [0,2,0,0,0,0|1,0,1]=4 3539 B8R0.22 C#CCN(CC)CCO 2230a_100000744766_100000211926 [0,2,0,0,0,0|1,0,1]=4 3540 B8R0.22 C#CCN(CC)CCO 269982a_100000744766_100000211926 [0,2,0,0,0,0|1,0,1]=4 3541 B8R0.22 C=CCN(CC)CCO 2230a_100000210973_100000210623 [0,2,0,0,0,0|1,0,1]=4 3542 B8R0.22 C=CCN(CC)CCO 269982a_100000210973_100000210623 [0,2,0,0,0,0|1,0,1]=4 3543 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [0,2,0,0,0,0|2,0,0]=4 3544 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [0,2,0,0,0,0|2,0,0]=4 3545 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [0,2,0,0,0,0|2,0,0]=4 3546 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [0,2,0,0,0,0|2,0,0]=4 3547 B8R0.22 CCCN(CC)CCF 2230a_100000226822_100011217306 [0,2,0,0,0,0|2,0,0]=4 3548 B8R0.22 CCCN(CC)CCF 269982a_100000226822_100011217306 [0,2,0,0,0,0|2,0,0]=4 3549 B8R0.22 CCCN(CC)CCO 2230a_100000210973_100000210303 [0,2,0,0,0,0|1,0,0]=3 3550 B8R0.22 CCCN(CC)CCO 2230a_100000211420_100000210202 [0,2,0,0,0,0|1,0,0]=3 3551 B8R0.22 CCCN(CC)CCO 2230a_100000226822_100000211926 [0,2,0,0,0,0|1,0,0]=3 3552 B8R0.22 CCCN(CC)CCO 269982a_100000210973_100000210303 [0,2,0,0,0,0|1,0,0]=3 3553 B8R0.22 CCCN(CC)CCO 269982a_100000211420_100000204670 [0,2,0,0,0,0|1,0,0]=3 3554 B8R0.22 CCCN(CC)CCO 269982a_100000226822_100000211926 [0,2,0,0,0,0|1,0,0]=3 3555 B8R0.22 CCCN(CF)CCC 269982a_100000210455_100015361967 [0,2,0,0,0,0|2,0,0]=4 3556 B8R0.22 CCCN(CF)CCO 269982a_100000211420_100015361967 [0,2,0,0,0,0|1,0,0]=3 3557 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [0,2,0,0,0,0|2,0,0]=4 3558 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [0,2,0,0,0,0|2,0,0]=4 3559 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [0,2,0,0,0,0|2,0,0]=4 3560 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [0,2,0,0,0,0|2,0,0]=4 3561 B8R0.22 CCN(CC#N)CCO 2230a_100000210973_100011215382 [0,2,0,0,0,0|1,0,1]=4 3562 B8R0.22 CCN(CC#N)CCO 269982a_100000210973_100011214920 [0,2,0,0,0,0|1,0,1]=4 3563 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [0,2,0,0,0,0|0,0,2]=4 3564 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [0,2,0,0,0,0|0,0,2]=4 3565 B8R0.22 CCN(CCO)CCF 2230a_100000210973_100011217306 [0,2,0,0,0,0|1,0,0]=3 3566 B8R0.22 CCN(CCO)CCF 269982a_100000210973_100011217306 [0,2,0,0,0,0|1,0,0]=3 3567 B8R0.22 CCN(CCO)CCO 2230a_100000210587_100000210202 [0,2,0,0,0,0|0,0,0]=2 3568 B8R0.22 CCN(CCO)CCO 2230a_100000210973_100000211926 [0,2,0,0,0,0|0,0,0]=2 3569 B8R0.22 CCN(CCO)CCO 269982a_100000210587_100000204670 [0,2,0,0,0,0|0,0,0]=2 3570 B8R0.22 CCN(CCO)CCO 269982a_100000210973_100000211926 [0,2,0,0,0,0|0,0,0]=2 3571 B8R0.22 CCN(CCO)COC 2230a_100000210973_100000766300 [0,2,0,0,0,0|2,0,0]=4 3572 B8R0.22 CCN(CCO)COC 269982a_100000210973_100000766300 [0,2,0,0,0,0|2,0,0]=4 3573 B8R0.22 CCN(CCO)CSC 2230a_100000210973_100011218213 [0,2,0,0,0,0|2,0,0]=4 3574 B8R0.22 CCN(CCO)CSC 269982a_100000210973_100011218213 [0,2,0,0,0,0|2,0,0]=4 3575 B8R0.22 OCCN(CF)CCO 269982a_100000210587_100015361967 [0,2,0,0,0,0|0,0,0]=2 3576 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [1,0,0,1,0,0|1,0,0]=3 3577 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [1,0,0,1,0,0|2,0,0]=4 3578 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [1,0,0,1,0,0|2,0,0]=4 3579 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [1,0,0,1,0,0|2,0,0]=4 3580 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [1,0,0,1,0,0|2,0,0]=4 3581 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [1,0,0,1,0,0|2,0,0]=4 3582 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [1,0,0,1,0,0|2,0,0]=4 3583 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [1,0,0,1,0,0|2,0,0]=4 3584 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [1,0,0,1,0,0|2,0,0]=4 3585 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [1,0,0,1,0,0|2,0,0]=4 3586 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [1,0,0,1,0,0|2,0,0]=4 3587 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [1,0,0,1,0,0|2,0,0]=4 3588 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [1,0,0,1,0,0|2,0,0]=4 3589 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [1,0,0,1,0,0|2,0,0]=4 3590 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [1,0,0,1,0,0|2,0,0]=4 3591 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [1,0,0,1,0,0|2,0,0]=4 3592 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [1,0,0,1,0,0|2,0,0]=4 3593 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [1,0,0,1,0,0|2,0,0]=4 3594 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [1,0,0,1,0,0|2,0,0]=4 3595 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [1,0,0,1,0,0|1,0,0]=3 3596 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [1,0,0,1,0,0|2,0,0]=4 3597 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,1,0,1,0,0|2,0,0]=4 3598 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,1,0,1,0,0|2,0,0]=4 3599 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,1,0,1,0,0|2,0,0]=4 3600 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,1,0,1,0,0|1,0,0]=3 3601 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,1,0,1,0,0|2,0,0]=4 3602 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,1,0,1,0,0|2,0,0]=4 3603 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,1,0,0|2,0,0]=4 3604 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,1,0,1,0,0|2,0,0]=4 3605 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,1,0,1,0,0|2,0,0]=4 3606 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,1,0,1,0,0|1,0,0]=3 3607 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,1,0,1,0,0|2,0,0]=4 3608 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,1,0,0|2,0,0]=4 3609 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,1,0,1,0,0|2,0,0]=4 3610 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,1,0,1,0,0|2,0,0]=4 3611 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,1,0,1,0,0|1,1,0]=4 3612 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,1,0,1,0,0|1,1,0]=4 3613 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,1,0,1,0,0|2,0,0]=4 3614 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,1,0,1,0,0|2,0,0]=4 3615 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,1,0,1,0,0|2,0,0]=4 3616 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [0,1,0,1,0,0|2,0,0]=4 3617 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [0,1,0,1,0,0|2,0,0]=4 3618 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [0,1,0,1,0,0|2,0,0]=4 3619 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [0,1,0,1,0,0|2,0,0]=4 3620 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [0,1,0,1,0,0|2,0,0]=4 3621 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,1,0,1,0,0|2,0,0]=4 3622 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,1,0,1,0,0|2,0,0]=4 3623 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [0,1,0,1,0,0|1,0,1]=4 3624 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,1,0,1,0,0|2,0,0]=4 3625 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,1,0,1,0,0|2,0,0]=4 3626 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,1,0,1,0,0|2,0,0]=4 3627 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,1,0,1,0,0|1,0,0]=3 3628 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,1,0,1,0,0|1,0,0]=3 3629 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [0,1,0,1,0,0|2,0,0]=4 3630 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [0,1,0,1,0,0|1,0,0]=3 3631 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [0,1,0,1,0,0|1,0,0]=3 3632 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [0,1,0,1,0,0|1,0,0]=3 3633 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,1,0,1,0,0|1,1,0]=4 3634 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,1,0,1,0,0|1,1,0]=4 3635 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [0,1,0,1,0,0|1,1,0]=4 3636 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [0,1,0,1,0,0|1,1,0]=4 3637 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [0,1,0,1,0,0|2,0,0]=4 3638 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [0,1,0,1,0,0|2,0,0]=4 3639 B8R1.8 FCCN1CCSC1 2230a_100011215254_100011217306 [0,1,0,1,0,0|1,1,0]=4 3640 B8R1.8 FCCN1CCSC1 269982a_100011215254_100011217306 [0,1,0,1,0,0|1,1,0]=4 3641 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [0,1,0,1,0,0|2,0,0]=4 3642 B8R1.8 OCCN1CC=CC1 269982a_100015195280_100000211926 [0,1,0,1,0,0|1,0,1]=4 3643 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [0,1,0,1,0,0|1,0,0]=3 3644 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [0,1,0,1,0,0|1,0,0]=3 3645 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [0,1,0,1,0,0|0,1,0]=3 3646 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [0,1,0,1,0,0|0,1,0]=3 3647 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [0,1,0,1,0,0|2,0,0]=4 3648 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [0,1,0,1,0,0|2,0,0]=4 3649 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,1,0,1,0,0|2,0,0]=4 3650 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,1,0,1,0,0|2,0,0]=4 3651 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,1,0,1,0,0|2,0,0]=4 3652 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,1,0,1,0,0|2,0,0]=4 3653 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,1,0,1,0,0|1,0,0]=3 3654 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,1,0,1,0,0|1,0,0]=3 3655 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [0,1,0,1,0,0|2,0,0]=4 3656 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [0,1,0,1,0,0|1,0,0]=3 3657 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [0,1,0,1,0,0|1,0,0]=3 3658 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,1,0,1,0,0|1,1,0]=4 3659 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,1,0,1,0,0|1,1,0]=4 3660 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [0,1,0,1,0,0|1,1,0]=4 3661 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [0,1,0,1,0,0|1,1,0]=4 3662 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [0,1,0,1,0,0|2,0,0]=4 3663 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [0,1,0,1,0,0|2,0,0]=4 3664 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [0,1,0,1,0,0|2,0,0]=4 3665 B8R1.9 FCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011217306 [0,1,0,1,0,0|2,0,0]=4 3666 B8R1.9 FCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011217306 [0,1,0,1,0,0|2,0,0]=4 3667 B8R1.9 FCCN[C@@H]1C[C@H]1F 34a_100025746932_100011217306 [0,1,0,1,0,0|2,0,0]=4 3668 B8R1.9 OCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000211926 [0,1,0,1,0,0|1,0,0]=3 3669 B8R1.9 OCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000211926 [0,1,0,1,0,0|1,0,0]=3 3670 B8R1.9 OCCN[C@@H]1C[C@H]1F 34a_100025746932_100000211926 [0,1,0,1,0,0|1,0,0]=3 3671 B8R1.10 BrCCOC1COC1 34a_100000211926_100009818527 [0,1,0,1,0,0|2,0,0]=4 3672 B8R1.10 C#CCCN1CCC1 269982a_100000754969_100000730999 [0,1,0,1,0,0|2,0,0]=4 3673 B8R1.10 C#CCNC1COC1 2230a_100016991112_100000038162 [0,1,0,1,0,0|1,0,1]=4 3674 B8R1.10 C#CCNC1COC1 34a_100000212058_100009818527 [0,1,0,1,0,0|1,0,1]=4 3675 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [0,1,0,1,0,0|2,0,0]=4 3676 B8R1.10 C=CCNC1COC1 2230a_100016991112_100000210623 [0,1,0,1,0,0|1,0,1]=4 3677 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [0,1,0,1,0,0|2,0,0]=4 3678 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [0,1,0,1,0,0|2,0,0]=4 3679 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [0,1,0,1,0,0|2,0,0]=4 3680 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [0,1,0,1,0,0|2,0,0]=4 3681 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [0,1,0,1,0,0|1,0,0]=3 3682 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [0,1,0,1,0,0|2,0,0]=4 3683 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [0,1,0,1,0,0|2,0,0]=4 3684 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [0,1,0,1,0,0|2,0,0]=4 3685 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [0,1,0,1,0,0|2,0,0]=4 3686 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [0,1,0,1,0,0|2,0,0]=4 3687 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,1,0,1,0,0|2,0,0]=4 3688 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,1,0,1,0,0|2,0,0]=4 3689 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [0,1,0,1,0,0|2,0,0]=4 3690 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [0,1,0,1,0,0|2,0,0]=4 3691 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [0,1,0,1,0,0|2,0,0]=4 3692 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [0,1,0,1,0,0|1,0,0]=3 3693 B8R1.10 COCNC1COC1 2230a_100016991112_100000766300 [0,1,0,1,0,0|2,0,0]=4 3694 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [0,1,0,1,0,0|1,1,0]=4 3695 B8R1.10 CSCNC1COC1 2230a_100016991112_100011218213 [0,1,0,1,0,0|2,0,0]=4 3696 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [0,1,0,1,0,0|2,0,0]=4 3697 B8R1.10 FCCNC1CCC1 2230a_100000749019_100011217306 [0,1,0,1,0,0|2,0,0]=4 3698 B8R1.10 FCCNC1CCC1 34a_100000724931_100000749161 [0,1,0,1,0,0|2,0,0]=4 3699 B8R1.10 FCCNC1CCC1 34a_100000749019_100011217306 [0,1,0,1,0,0|2,0,0]=4 3700 B8R1.10 FCCNC1COC1 2230a_100016991112_100011217306 [0,1,0,1,0,0|1,0,0]=3 3701 B8R1.10 FCCNC1COC1 34a_100000724931_100009818527 [0,1,0,1,0,0|1,0,0]=3 3702 B8R1.10 FCCSC1COC1 62a_100011217306_100009818527 [0,1,0,1,0,0|2,0,0]=4 3703 B8R1.10 FCNC[C@@H]1CCO1 34a_100020831831_100015361967 [0,1,0,1,0,0|2,0,0]=4 3704 B8R1.10 FCOCC1CCO1 34a_100000039022_100015361967 [0,1,0,1,0,0|2,0,0]=4 3705 B8R1.10 FCSCC1CCO1 62a_100000103362_100015361967 [0,1,0,1,0,0|2,0,0]=4 3706 B8R1.10 FCSCC1CCO1 62a_100015361967_100000103362 [0,1,0,1,0,0|2,0,0]=4 3707 B8R1.10 N#CCCN1CCC1 269982a_100000754969_100011215226 [0,1,0,1,0,0|2,0,0]=4 3708 B8R1.10 N#CCNC1COC1 2230a_100016991112_100011215382 [0,1,0,1,0,0|1,0,1]=4 3709 B8R1.10 NCCOC1COC1 34a_100000210304_100009818527 [0,1,0,1,0,0|2,0,0]=4 3710 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [0,1,0,1,0,0|0,0,2]=4 3711 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [0,1,0,1,0,0|1,0,0]=3 3712 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [0,1,0,1,0,0|1,0,0]=3 3713 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [0,1,0,1,0,0|1,0,0]=3 3714 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [0,1,0,1,0,0|1,0,0]=3 3715 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [0,1,0,1,0,0|1,0,0]=3 3716 B8R1.10 OCCNC1COC1 2230a_100016991112_100000211926 [0,1,0,1,0,0|0,0,0]=2 3717 B8R1.10 OCCNC1COC1 34a_100016990907_100009818527 [0,1,0,1,0,0|0,0,0]=2 3718 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [0,1,0,1,0,0|2,0,0]=4 3719 B8R1.10 OCCOC1CSC1 7a_100000072292_100000211926 [0,1,0,1,0,0|1,1,0]=4 3720 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [0,1,0,1,0,0|2,0,0]=4 3721 B8R1.10 OCCSC1COC1 62a_100000211926_100009818527 [0,1,0,1,0,0|1,0,0]=3 3722 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,1,0,0|2,0,0]=4 3723 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,1,0,0|2,0,0]=4 3724 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,1,0,1,0,0|2,0,0]=4 3725 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,1,0,1,0,0|2,0,0]=4 3726 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,1,0,1,0,0|2,0,0]=4 3727 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,1,0,1,0,0|2,0,0]=4 3728 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,1,0,1,0,0|2,0,0]=4 3729 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,1,0,1,0,0|2,0,0]=4 3730 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,1,0,1,0,0|1,0,0]=3 3731 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,1,0,1,0,0|1,0,0]=3 3732 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,1,0,1,0,0|1,0,0]=3 3733 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [0,1,0,1,0,0|2,0,0]=4 3734 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [0,1,0,1,0,0|2,0,0]=4 3735 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [0,1,0,1,0,0|2,0,0]=4 3736 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,1,0,0|2,0,0]=4 3737 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,1,0,0|2,0,0]=4 3738 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [0,1,0,1,0,0|1,0,0]=3 3739 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,1,0,0|2,0,0]=4 3740 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,1,0,0|2,0,0]=4 3741 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,1,0,1,0,0|1,0,0]=3 3742 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [0,1,0,1,0,0|2,0,0]=4 3743 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,1,0,1,0,0|1,1,0]=4 3744 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,1,0,1,0,0|1,1,0]=4 3745 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|1,1,0]=4 3746 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|1,1,0]=4 3747 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,1,0,1,0,0|1,0,0]=3 3748 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,1,0,1,0,0|1,0,0]=3 3749 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,1,0,1,0,0|1,0,0]=3 3750 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,1,0,1,0,0|1,0,0]=3 3751 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [0,1,0,1,0,0|2,0,0]=4 3752 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,1,0,0|2,0,0]=4 3753 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,1,0,0|2,0,0]=4 3754 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [0,1,0,1,0,0|2,0,0]=4 3755 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,1,0,1,0,0|1,1,0]=4 3756 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,1,0,1,0,0|1,1,0]=4 3757 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|1,1,0]=4 3758 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|1,1,0]=4 3759 B8R1.13 CC1CCN1CCF 269982a_100000755817_100011217306 [0,1,0,1,0,0|2,0,0]=4 3760 B8R1.13 CC1CCN1CCF 34a_100000755817_100011217306 [0,1,0,1,0,0|2,0,0]=4 3761 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [0,1,0,1,0,0|1,0,0]=3 3762 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [0,1,0,1,0,0|1,0,0]=3 3763 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,1,0,1,0,0|2,0,0]=4 3764 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,1,0,1,0,0|2,0,0]=4 3765 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,1,0,1,0,0|2,0,0]=4 3766 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,1,0,1,0,0|2,0,0]=4 3767 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,1,0,1,0,0|2,0,0]=4 3768 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,1,0,1,0,0|1,0,0]=3 3769 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,1,0,1,0,0|1,0,0]=3 3770 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,1,0,1,0,0|1,0,0]=3 3771 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,1,0,1,0,0|2,0,0]=4 3772 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,1,0,1,0,0|2,0,0]=4 3773 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,1,0,1,0,0|2,0,0]=4 3774 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,1,0,1,0,0|1,0,0]=3 3775 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,1,0,1,0,0|1,0,0]=3 3776 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,1,0,1,0,0|1,0,0]=3 3777 B8R1.36 BrCCOCC1CO1 34a_100000211926_102125554688 [0,1,0,1,0,0|2,0,0]=4 3778 B8R1.36 C#CCCNC1CC1 34a_100000212008_100000688953 [0,1,0,1,0,0|2,0,0]=4 3779 B8R1.36 C#CCCNC1CC1 34a_100000755551_100000211595 [0,1,0,1,0,0|2,0,0]=4 3780 B8R1.36 C#CCNCC1CO1 34a_100000212058_102125554688 [0,1,0,1,0,0|1,0,1]=4 3781 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [0,1,0,1,0,0|2,0,0]=4 3782 B8R1.36 C=CCNCC1CO1 2230a_100020586998_100011216344 [0,1,0,1,0,0|1,0,1]=4 3783 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [0,1,0,1,0,0|2,0,0]=4 3784 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [0,1,0,1,0,0|2,0,0]=4 3785 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [0,1,0,1,0,0|2,0,0]=4 3786 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [0,1,0,1,0,0|2,0,0]=4 3787 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [0,1,0,1,0,0|2,0,0]=4 3788 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [0,1,0,1,0,0|2,0,0]=4 3789 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [0,1,0,1,0,0|2,0,0]=4 3790 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [0,1,0,1,0,0|2,0,0]=4 3791 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [0,1,0,1,0,0|2,0,0]=4 3792 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [0,1,0,1,0,0|2,0,0]=4 3793 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [0,1,0,1,0,0|2,0,0]=4 3794 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [0,1,0,1,0,0|2,0,0]=4 3795 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [0,1,0,1,0,0|2,0,0]=4 3796 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [0,1,0,1,0,0|2,0,0]=4 3797 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [0,1,0,1,0,0|2,0,0]=4 3798 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [0,1,0,1,0,0|2,0,0]=4 3799 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [0,1,0,1,0,0|2,0,0]=4 3800 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [0,1,0,1,0,0|2,0,0]=4 3801 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [0,1,0,1,0,0|1,0,0]=3 3802 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [0,1,0,1,0,0|1,0,0]=3 3803 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [0,1,0,1,0,0|1,0,0]=3 3804 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [0,1,0,1,0,0|2,0,0]=4 3805 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [0,1,0,1,0,0|2,0,0]=4 3806 B8R1.36 COCSCC1CO1 62a_100000766300_102125554688 [0,1,0,1,0,0|2,0,0]=4 3807 B8R1.36 COCSCC1CO1 62a_102125554688_100000766300 [0,1,0,1,0,0|2,0,0]=4 3808 B8R1.36 COCSC[C@@H]1CO1 62a_100000745022_100000766300 [0,1,0,1,0,0|2,0,0]=4 3809 B8R1.36 COCSC[C@@H]1CO1 62a_100000766300_100000745022 [0,1,0,1,0,0|2,0,0]=4 3810 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [0,1,0,1,0,0|1,1,0]=4 3811 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [0,1,0,1,0,0|1,1,0]=4 3812 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [0,1,0,1,0,0|1,1,0]=4 3813 B8R1.36 FCCCNC1CC1 34a_100000212008_100011934791 [0,1,0,1,0,0|2,0,0]=4 3814 B8R1.36 FCCCNC1CC1 34a_100015189416_100000211595 [0,1,0,1,0,0|2,0,0]=4 3815 B8R1.36 FCCNCC1CC1 2230a_100000735609_100011217306 [0,1,0,1,0,0|2,0,0]=4 3816 B8R1.36 FCCNCC1CC1 269862a_100000724931_100000741477 [0,1,0,1,0,0|2,0,0]=4 3817 B8R1.36 FCCNCC1CC1 34a_100000724931_100000742324 [0,1,0,1,0,0|2,0,0]=4 3818 B8R1.36 FCCNCC1CC1 34a_100000735609_100011217306 [0,1,0,1,0,0|2,0,0]=4 3819 B8R1.36 FCCNCC1CO1 34a_100000724931_102125554688 [0,1,0,1,0,0|1,0,0]=3 3820 B8R1.36 FCCOC[C@@H]1CO1 34a_100000757423_100011217306 [0,1,0,1,0,0|2,0,0]=4 3821 B8R1.36 FCCSCC1CO1 62a_100011217306_102125554688 [0,1,0,1,0,0|2,0,0]=4 3822 B8R1.36 FCCSCC1CO1 62a_102125554688_100011217306 [0,1,0,1,0,0|2,0,0]=4 3823 B8R1.36 FCCSC[C@@H]1CO1 62a_100000745022_100011217306 [0,1,0,1,0,0|2,0,0]=4 3824 B8R1.36 FCCSC[C@@H]1CO1 62a_100011217306_100000745022 [0,1,0,1,0,0|2,0,0]=4 3825 B8R1.36 FCOCC[C@@H]1CO1 34a_100009820653_100015361967 [0,1,0,1,0,0|2,0,0]=4 3826 B8R1.36 FCSCCC1CO1 62a_100000732470_100015361967 [0,1,0,1,0,0|2,0,0]=4 3827 B8R1.36 FCSCCC1CO1 62a_100015361967_100000732470 [0,1,0,1,0,0|2,0,0]=4 3828 B8R1.36 NCCOCC1CO1 34a_100000210304_102125554688 [0,1,0,1,0,0|2,0,0]=4 3829 B8R1.36 NOCCOC1CC1 34a_100000700252_100000211595 [0,1,0,1,0,0|2,0,0]=4 3830 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [0,1,0,1,0,0|1,0,0]=3 3831 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [0,1,0,1,0,0|2,0,0]=4 3832 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [0,1,0,1,0,0|1,0,0]=3 3833 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [0,1,0,1,0,0|1,0,0]=3 3834 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [0,1,0,1,0,0|1,0,0]=3 3835 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [0,1,0,1,0,0|1,0,0]=3 3836 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [0,1,0,1,0,0|1,0,0]=3 3837 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [0,1,0,1,0,0|0,0,0]=2 3838 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [0,1,0,1,0,0|0,0,0]=2 3839 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [0,1,0,1,0,0|2,0,0]=4 3840 B8R1.36 OCCOC[C@@H]1CO1 34a_100000757423_100000211926 [0,1,0,1,0,0|1,0,0]=3 3841 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [0,1,0,1,0,0|2,0,0]=4 3842 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [0,1,0,1,0,0|2,0,0]=4 3843 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [0,1,0,1,0,0|1,0,0]=3 3844 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [0,1,0,1,0,0|1,0,0]=3 3845 B8R1.36 OCCSCC1CS1 62a_100000031435_100000211926 [0,1,0,1,0,0|1,1,0]=4 3846 B8R1.36 OCCSCC1CS1 62a_100000211926_100000031435 [0,1,0,1,0,0|1,1,0]=4 3847 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [0,1,0,1,0,0|1,0,0]=3 3848 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [0,1,0,1,0,0|1,0,0]=3 3849 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [0,1,0,1,0,0|1,0,0]=3 3850 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [0,1,0,1,0,0|1,1,0]=4 3851 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [0,1,0,1,0,0|1,1,0]=4 3852 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [0,1,0,1,0,0|2,0,0]=4 3853 B8R1.38 C[C@H](CO)N1CCC1 269982a_100000754969_100016084084 [0,1,0,1,0,0|1,0,0]=3 3854 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|1,0,1]=4 3855 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|1,0,1]=4 3856 B8R1.40 CC(CO)NC1CC1 34a_100000212008_100012180447 [0,1,0,1,0,0|1,0,0]=3 3857 B8R1.40 CC(CO)SC1CC1 62a_100012180447_100000211595 [0,1,0,1,0,0|2,0,0]=4 3858 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [0,1,0,1,0,0|2,0,0]=4 3859 B8R1.40 C[C@H](CO)SC1CC1 62a_100016084084_100000211595 [0,1,0,1,0,0|2,0,0]=4 3860 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,1,0,1,0,0|1,0,1]=4 3861 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,1,0,1,0,0|1,0,1]=4 3862 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,1,0,1,0,0|1,0,1]=4 3863 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,1,0,1,0,0|1,0,1]=4 3864 B8R1.41 CC1(CC1)NCCF 2230a_100000757604_100011217306 [0,1,0,1,0,0|2,0,0]=4 3865 B8R1.41 CC1(CC1)NCCO 2230a_100000757604_100000211926 [0,1,0,1,0,0|1,0,0]=3 3866 B8R1.41 CC1(CC1)OCCO 7a_100011725673_100000211926 [0,1,0,1,0,0|2,0,0]=4 3867 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [0,1,0,1,0,0|2,0,0]=4 3868 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,1,0,1,0,0|1,0,0]=3 3869 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,1,0,1,0,0|1,0,0]=3 3870 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,1,0,1,0,0|1,0,0]=3 3871 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,1,0,1,0,0|1,0,0]=3 3872 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,1,0,1,0,0|1,0,0]=3 3873 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,1,0,1,0,0|1,0,0]=3 3874 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,1,0,1,0,0|2,0,0]=4 3875 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,1,0,1,0,0|2,0,0]=4 3876 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,1,0,1,0,0|2,0,0]=4 3877 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,1,0,1,0,0|1,0,0]=3 3878 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,1,0,1,0,0|1,0,0]=3 3879 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|0,0,2]=4 3880 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,1,0,1,0,0|0,0,0]=2 3881 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,1,0,1,0,0|0,0,0]=2 3882 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,1,0,1,0,0|2,0,0]=4 3883 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,1,0,1,0,0|2,0,0]=4 3884 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,1,0,1,0,0|2,0,0]=4 3885 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,1,0,1,0,0|2,0,0]=4 3886 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,1,0,1,0,0|2,0,0]=4 3887 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,1,0,1,0,0|2,0,0]=4 3888 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,1,0,1,0,0|2,0,0]=4 3889 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,1,0,1,0,0|2,0,0]=4 3890 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,1,0,1,0,0|2,0,0]=4 3891 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,1,0,1,0,0|1,0,0]=3 3892 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,1,0,1,0,0|1,0,0]=3 3893 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|0,0,2]=4 3894 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,1,0,1,0,0|0,0,0]=2 3895 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,1,0,1,0,0|0,0,0]=2 3896 B8R1.6 C=CCN1CC(C1)O 269982a_100000749847_100000210623 [0,1,0,1,0,0|1,0,1]=4 3897 B8R1.6 CC1CN(C1)CCF 2230a_100000702820_100011217306 [0,1,0,1,0,0|2,0,0]=4 3898 B8R1.6 CC1CN(C1)CCF 269982a_100000702820_100011217306 [0,1,0,1,0,0|2,0,0]=4 3899 B8R1.6 CC1CN(C1)CCF 34a_100000702820_100011217306 [0,1,0,1,0,0|2,0,0]=4 3900 B8R1.6 CC1CN(C1)CCO 2230a_100000702820_100000211926 [0,1,0,1,0,0|1,0,0]=3 3901 B8R1.6 CC1CN(C1)CCO 269982a_100000702820_100000211926 [0,1,0,1,0,0|1,0,0]=3 3902 B8R1.6 CC1CN(C1)CCO 34a_100000702820_100000211926 [0,1,0,1,0,0|1,0,0]=3 3903 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 3904 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 3905 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 3906 B8R1.6 CCCN1CC(C1)F 2230a_100000690557_100000210303 [0,1,0,1,0,0|2,0,0]=4 3907 B8R1.6 CCCN1CC(C1)F 269982a_100000690557_100000210303 [0,1,0,1,0,0|2,0,0]=4 3908 B8R1.6 CCCN1CC(C1)F 34a_100000690557_100000210303 [0,1,0,1,0,0|2,0,0]=4 3909 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [0,1,0,1,0,0|1,0,0]=3 3910 B8R1.6 COCN1CC(C1)O 269982a_100000749847_100000766300 [0,1,0,1,0,0|2,0,0]=4 3911 B8R1.6 CSCN1CC(C1)O 269982a_100000749847_100011218213 [0,1,0,1,0,0|2,0,0]=4 3912 B8R1.6 FCCN1CC(C1)F 2230a_100000690557_100011217306 [0,1,0,1,0,0|2,0,0]=4 3913 B8R1.6 FCCN1CC(C1)F 269982a_100000690557_100011217306 [0,1,0,1,0,0|2,0,0]=4 3914 B8R1.6 FCCN1CC(C1)F 34a_100000690557_100011217306 [0,1,0,1,0,0|2,0,0]=4 3915 B8R1.6 N#CCN1CC(C1)O 269982a_100000749847_100011214920 [0,1,0,1,0,0|1,0,1]=4 3916 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [0,1,0,1,0,0|0,0,2]=4 3917 B8R1.6 OC1CN(C1)CCF 269982a_100000749847_100011217306 [0,1,0,1,0,0|1,0,0]=3 3918 B8R1.6 OCCN1CC(C1)F 2230a_100000690557_100000211926 [0,1,0,1,0,0|1,0,0]=3 3919 B8R1.6 OCCN1CC(C1)F 269982a_100000690557_100000211926 [0,1,0,1,0,0|1,0,0]=3 3920 B8R1.6 OCCN1CC(C1)F 34a_100000690557_100000211926 [0,1,0,1,0,0|1,0,0]=3 3921 B8R1.6 OCCN1CC(C1)O 269982a_100000749847_100000211926 [0,1,0,1,0,0|0,0,0]=2 3922 B8R1.34 CC(C)CN1CCC1 269982a_100000754969_100000210624 [0,1,0,1,0,0|2,0,0]=4 3923 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [0,1,0,1,0,0|1,0,0]=3 3924 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [0,1,0,1,0,0|1,0,0]=3 3925 B8R1.34 FC(F)CN1CCC1 269982a_100000754969_100011934356 [0,1,0,1,0,0|2,0,0]=4 3926 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [0,1,0,1,0,0|2,0,0]=4 3927 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [0,1,0,1,0,0|2,0,0]=4 3928 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [0,1,0,1,0,0|1,0,0]=3 3929 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [0,1,0,1,0,0|1,0,0]=3 3930 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [0,1,0,1,0,0|2,0,0]=4 3931 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [0,1,0,1,0,0|1,0,0]=3 3932 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [0,1,0,1,0,0|2,0,0]=4 3933 B8R1.35 FC(F)CNC1CC1 34a_100000212008_100011934356 [0,1,0,1,0,0|2,0,0]=4 3934 B8R1.35 FC(F)CNC1CC1 34a_100000765723_100000211595 [0,1,0,1,0,0|2,0,0]=4 3935 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,1,0,1,0,0|1,0,1]=4 3936 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200000210301 [0,1,0,1,0,0|1,0,0]=3 3937 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200000210301 [0,1,0,1,0,0|1,0,0]=3 3938 B8R1.18 CN1C[C@H]([C@H](C1)F)F 269982a_100103146936_200000210301 [0,1,0,1,0,0|2,0,0]=4 3939 B8R1.18 CN1C[C@H]([C@H](C1)F)F 34a_100103146936_200000210301 [0,1,0,1,0,0|2,0,0]=4 3940 B8R1.18 CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_200000210301 [0,1,0,1,0,0|0,0,0]=2 3941 B8R1.18 CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_200000210301 [0,1,0,1,0,0|0,0,0]=2 3942 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,1,0,1,0,0|1,0,0]=3 3943 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,1,0,1,0,0|1,0,0]=3 3944 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,1,0,1,0,0|1,0,0]=3 3945 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,1,0,1,0,0|1,0,0]=3 3946 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200025704644 [0,1,0,1,0,0|1,0,0]=3 3947 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200025704644 [0,1,0,1,0,0|1,0,0]=3 3948 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)F)F 269982a_100103146936_200025704644 [0,1,0,1,0,0|2,0,0]=4 3949 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)F)F 34a_100103146936_200025704644 [0,1,0,1,0,0|2,0,0]=4 3950 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 2230a_100015207562_200025704644 [0,1,0,1,0,0|0,0,0]=2 3951 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 269982a_100015207562_200025704644 [0,1,0,1,0,0|0,0,0]=2 3952 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,1,0,1,0,0|2,0,0]=4 3953 B8R1.37 CCCN(C)C1CC1 2230a_100000226674_100000210303 [0,1,0,1,0,0|2,0,0]=4 3954 B8R1.37 CCCN(C)C1CC1 2230a_100000765834_200000210301 [0,1,0,1,0,0|2,0,0]=4 3955 B8R1.37 CCCN(C)C1CC1 269982a_100000226674_100000210303 [0,1,0,1,0,0|2,0,0]=4 3956 B8R1.37 CCCN(C)C1CC1 269982a_100000747261_100000211595 [0,1,0,1,0,0|2,0,0]=4 3957 B8R1.37 CCCN(C)C1CC1 269982a_100000765834_200000210301 [0,1,0,1,0,0|2,0,0]=4 3958 B8R1.37 CCCN([13CH3])C1CC1 2230a_100000765834_200025704644 [0,1,0,1,0,0|2,0,0]=4 3959 B8R1.37 CCCN([13CH3])C1CC1 269982a_100000765834_200025704644 [0,1,0,1,0,0|2,0,0]=4 3960 B8R1.37 CN(CCF)C1CC1 2230a_100000226674_100011217306 [0,1,0,1,0,0|2,0,0]=4 3961 B8R1.37 CN(CCF)C1CC1 269982a_100000226674_100011217306 [0,1,0,1,0,0|2,0,0]=4 3962 B8R1.37 CN(CCO)C1CC1 2230a_100000226674_100000211926 [0,1,0,1,0,0|1,0,0]=3 3963 B8R1.37 CN(CCO)C1CC1 2230a_100000738766_200000210301 [0,1,0,1,0,0|1,0,0]=3 3964 B8R1.37 CN(CCO)C1CC1 269982a_100000210263_100000211595 [0,1,0,1,0,0|1,0,0]=3 3965 B8R1.37 CN(CCO)C1CC1 269982a_100000226674_100000211926 [0,1,0,1,0,0|1,0,0]=3 3966 B8R1.37 CN(CCO)C1CC1 269982a_100000738766_200000210301 [0,1,0,1,0,0|1,0,0]=3 3967 B8R1.37 CN(CCO)C1CC1 34a_100000738766_200000210301 [0,1,0,1,0,0|1,0,0]=3 3968 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,1,0,1,0,0|2,0,0]=4 3969 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,1,0,1,0,0|2,0,0]=4 3970 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,1,0,1,0,0|1,0,0]=3 3971 B8R1.37 [13CH3]N(CCO)C1CC1 2230a_100000738766_200025704644 [0,1,0,1,0,0|1,0,0]=3 3972 B8R1.37 [13CH3]N(CCO)C1CC1 269982a_100000738766_200025704644 [0,1,0,1,0,0|1,0,0]=3 3973 B8R1.37 [13CH3]N(CCO)C1CC1 34a_100000738766_200025704644 [0,1,0,1,0,0|1,0,0]=3 3974 B8R2.1 C1CN(C1)C2CC2 269982a_100000754969_100000211595 [0,0,0,2,0,0|2,0,0]=4 3975 B8R2.24 C1CC1NC2CC2 34a_100000212008_100000211595 [0,0,0,2,0,0|2,0,0]=4