0 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,0,0,0,0,0|1,1,2]=4 3 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,0,0,0,0,0|1,1,2]=4 4 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.2 C#CCSCF 62a_100000038162_100015361967 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,0,0,0,0,0|1,1,2]=4 18 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,0,0,0,0,0|1,1,2]=4 19 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,0,0,0,0,0|1,0,2]=3 20 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,0,0,0,0,0|3,0,0]=3 51 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,0,0,0,0,0|3,0,0]=3 53 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,0,0,0,0,0|3,0,0]=3 56 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,0,0,0,0,0|1,1,0]=2 64 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,0,0,0,0,0|1,1,0]=2 65 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,0,0,0,0,0|2,1,0]=3 66 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,0,0,0,0,0|1,0,0]=1 67 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,0,0,0,0,0|1,0,0]=1 68 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,0,0,0,0,0|2,0,0]=2 69 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,0,0,0,0,0|2,0,0]=2 70 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,0,0,0,0,0|3,0,0]=3 74 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,0,0,0,0,0|3,0,0]=3 75 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,0,0,0,0,0|3,0,0]=3 76 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,0,0,0,0,0|3,0,0]=3 78 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,0,0,0,0,0|2,1,1]=4 80 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,0,0,0,0,0|2,1,0]=3 81 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,0,0,0,0,0|2,1,0]=3 82 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,0,0,0,0,0|2,1,0]=3 83 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,0,0,0,0,0|2,1,0]=3 84 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,0,0,0,0,0|2,1,0]=3 85 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,0,0,0,0,0|2,1,0]=3 86 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,0,0,0,0,0|2,1,0]=3 87 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,0,0,0,0,0|2,1,0]=3 88 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,0,0,0,0,0|2,1,0]=3 89 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,0,0,0,0,0|2,0,1]=3 90 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,0,0,0,0,0|2,0,1]=3 91 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,0,0,0,0,0|2,0,1]=3 92 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,0,0,0,0,0|2,0,1]=3 93 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,0,0,0,0,0|2,0,0]=2 94 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,0,0,0,0,0|2,0,0]=2 95 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,0,0,0,0,0|2,0,0]=2 96 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,0,0,0,0,0|2,0,0]=2 97 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,0,0,0,0,0|2,0,0]=2 98 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,0,0,0,0,0|2,0,0]=2 99 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,0,0,0,0,0|2,0,0]=2 100 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,0,0,0,0,0|2,0,0]=2 101 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,0,0,0,0,0|4,0,0]=4 102 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,0,0,0,0,0|4,0,0]=4 103 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,0,0,0,0,0|4,0,0]=4 104 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,0,0,0,0,0|4,0,0]=4 105 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,0,0,0,0,0|4,0,0]=4 106 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,0,0,0,0,0|4,0,0]=4 107 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,0,0,0,0,0|4,0,0]=4 108 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,0,0,0,0,0|4,0,0]=4 109 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,0,0,0,0,0|4,0,0]=4 110 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,0,0,0,0,0|4,0,0]=4 111 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,0,0,0,0,0|4,0,0]=4 112 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,0,0,0,0,0|4,0,0]=4 113 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,0,0,0,0,0|4,0,0]=4 114 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,0,0,0,0,0|4,0,0]=4 115 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,0,0,0,0,0|4,0,0]=4 116 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,0,0,0,0,0|4,0,0]=4 117 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,0,0,0,0,0|4,0,0]=4 118 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,0,0,0,0,0|4,0,0]=4 119 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,0,0,0,0,0|4,0,0]=4 120 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,0,0,0,0,0|4,0,0]=4 121 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,0,0,0,0,0|4,0,0]=4 122 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,0,0,0,0,0|4,0,0]=4 123 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,0,0,0,0,0|4,0,0]=4 124 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,0,0,0,0,0|4,0,0]=4 125 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,0,0,0,0,0|4,0,0]=4 126 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,0,0,0,0,0|4,0,0]=4 127 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,0,0,0,0,0|4,0,0]=4 128 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,0,0,0,0,0|4,0,0]=4 129 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,0,0,0,0,0|4,0,0]=4 130 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,0,0,0,0,0|4,0,0]=4 131 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,0,0,0,0,0|4,0,0]=4 132 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,0,0,0,0,0|4,0,0]=4 133 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,0,0,0,0,0|4,0,0]=4 134 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,0,0,0,0,0|3,0,0]=3 135 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,0,0,0,0,0|3,0,0]=3 136 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,0,0,0,0,0|4,0,0]=4 137 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,0,0,0,0,0|4,0,0]=4 138 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,0,0,0,0,0|4,0,0]=4 139 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,0,0,0,0,0|4,0,0]=4 140 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,0,0,0,0,0|4,0,0]=4 141 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,0,0,0,0,0|4,0,0]=4 142 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,0,0,0,0,0|4,0,0]=4 143 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,0,0,0,0,0|4,0,0]=4 144 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,0,0,0,0,0|4,0,0]=4 145 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,0,0,0,0,0|4,0,0]=4 146 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,0,0,0,0,0|4,0,0]=4 147 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [0,0,0,0,0,0|3,0,1]=4 148 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [0,0,0,0,0,0|3,0,1]=4 149 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,0,0,0,0,0|3,0,0]=3 150 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,0,0,0,0,0|3,0,0]=3 151 B5R0.2 FCCNCF 34a_100000724931_100015361967 [0,0,0,0,0,0|4,0,0]=4 152 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,0,0,0,0,0|3,0,0]=3 153 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,0,0,0,0,0|3,0,0]=3 154 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [0,0,0,0,0,0|3,1,0]=4 155 B5R0.2 N#CCSCF 62a_100011215382_100015361967 [0,0,0,0,0,0|3,0,1]=4 156 B5R0.2 N#CCSCF 62a_100015361967_100011215382 [0,0,0,0,0,0|3,0,1]=4 157 B5R0.2 NCCOCF 34a_100000210304_100015361967 [0,0,0,0,0,0|3,1,0]=4 158 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,0,0,0,0,0|3,0,1]=4 159 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,0,0,0,0,0|3,0,1]=4 160 B5R0.2 OCCNCF 34a_100016990907_100015361967 [0,0,0,0,0,0|4,0,0]=4 161 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,0,0,0,0,0|3,0,0]=3 162 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,0,0,0,0,0|3,0,0]=3 163 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,0,0,0,0,0|4,0,0]=4 164 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,0,0,0,0,0|4,0,0]=4 165 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,0,0,0,0,0|4,0,0]=4 166 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,0,0,0,0,0|4,0,0]=4 167 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,0,0,0,0,0|4,0,0]=4 168 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,0,0,0,0,0|4,0,0]=4 169 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,0,0,0,0,0|4,0,0]=4 170 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,0,0,0,0,0|4,0,0]=4 171 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,0,0,0,0,0|4,0,0]=4 172 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,0,0,0,0,0|4,0,0]=4 173 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [0,0,0,0,0,0|3,0,1]=4 174 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [0,0,0,0,0,0|3,0,1]=4 175 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,0,0,0,0,0|1,0,2]=4 177 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|1,0,2]=4 178 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|1,0,2]=4 179 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|1,0,2]=4 180 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|1,0,2]=4 181 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|1,1,0]=3 185 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|1,1,0]=3 186 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|1,1,0]=3 187 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|1,0,0]=2 188 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|1,0,0]=2 189 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|1,0,0]=2 190 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|1,0,0]=2 191 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|1,0,0]=2 192 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|0,1,0]=2 193 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|1,1,0]=3 194 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|0,0,0]=1 195 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|1,0,0]=2 196 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|1,0,0]=2 197 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|3,0,0]=4 198 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|3,0,0]=4 199 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|3,0,0]=4 200 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|3,0,0]=4 201 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|3,0,0]=4 202 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|3,0,0]=4 203 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|3,0,0]=4 205 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|3,0,0]=4 206 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,0,0,0,0|2,1,0]=4 207 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,0,0,0,0|2,0,0]=3 208 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,0,0,0,0|2,0,0]=3 209 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,1,0]=4 210 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,1,0]=4 211 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,1,0]=4 212 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|2,1,0]=4 213 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,0,0,0,0|2,0,0]=3 214 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,0,0,0,0|2,0,0]=3 215 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,0,0,0,0|2,0,0]=3 216 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,0,0,0,0|2,0,0]=3 217 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,0,0,0,0|2,0,0]=3 218 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,0,0,0,0,0|2,0,1]=4 220 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,0]=3 223 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,0]=3 224 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|2,0,0]=3 225 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|2,0,0]=3 226 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,0,0,0,0|2,0,0]=3 227 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,0,0,0,0|2,0,0]=3 228 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,0,0,0,0|2,0,0]=3 229 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,0,0,0,0|2,0,0]=3 230 B4R0.2 FCSCF 62a_100015361967_100015361967 [1,0,0,0,0,0|2,0,0]=3 231 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|3,0,0]=4 232 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|3,0,0]=4 233 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|3,0,0]=4 234 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,1,0]=4 235 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,1,0]=4 236 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,0,0,0,0,0|2,0,1]=4 237 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,0,0,0,0,0|2,0,1]=4 238 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|2,0,1]=4 239 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|2,0,1]=4 240 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,0]=3 241 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,0]=3 242 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|2,0,0]=3 243 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|2,0,0]=3 244 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,1,0,0,0,0|1,0,2]=4 245 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,1,0,0,0,0|1,0,2]=4 246 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|3,0,0]=4 250 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|3,0,0]=4 254 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|3,0,0]=4 255 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|3,0,0]=4 256 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|3,0,0]=4 257 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|3,0,0]=4 258 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|3,0,0]=4 259 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|3,0,0]=4 260 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|3,0,0]=4 261 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,1,0,0,0,0|3,0,0]=4 262 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|3,0,0]=4 264 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|3,0,0]=4 265 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|3,0,0]=4 266 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|3,0,0]=4 267 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|3,0,0]=4 268 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|3,0,0]=4 269 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|3,0,0]=4 270 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|3,0,0]=4 271 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|3,0,0]=4 272 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|3,0,0]=4 273 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|2,1,0]=4 274 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|2,0,0]=3 275 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,0,0,0,0|3,0,0]=4 277 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,0,0,0,0|3,0,0]=4 278 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,0,0,0,0|3,0,0]=4 279 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,0,0,0,0|3,0,0]=4 280 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,0,0,0,0|3,0,0]=4 281 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,0,0,0,0|3,0,0]=4 282 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,0,0,0,0|3,0,0]=4 284 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,0,0,0,0|3,0,0]=4 285 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,0,0,0,0|3,0,0]=4 286 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|2,0,0]=3 287 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|2,0,0]=3 288 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|3,0,0]=4 289 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|3,0,0]=4 295 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|3,0,0]=4 296 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|3,0,0]=4 297 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|3,0,0]=4 298 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|3,0,0]=4 299 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|3,0,0]=4 300 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|3,0,0]=4 301 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|3,0,0]=4 302 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|3,0,0]=4 303 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|3,0,0]=4 304 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|3,0,0]=4 305 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|3,0,0]=4 307 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|3,0,0]=4 308 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|3,0,0]=4 309 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,0,0,0,0|2,0,0]=3 310 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,0,0,0,0|2,0,0]=3 312 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,0,0,0,0|2,0,0]=3 313 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,1,0,0,0,0|3,0,0]=4 316 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,0,0,0,0|2,0,0]=3 318 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,1,0,0,0,0|3,0,0]=4 319 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,1,0,0,0,0|3,0,0]=4 320 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,0,0,0,0|3,0,0]=4 321 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,0,0,0,0|3,0,0]=4 322 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,0,0,0,0|3,0,0]=4 323 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,0,0,0,0|3,0,0]=4 324 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,0,0,0,0|3,0,0]=4 325 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,0,0,0,0|3,0,0]=4 326 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,1,0,0,0,0|3,0,0]=4 327 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,1,0,0,0,0|3,0,0]=4 328 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,1,0,0,0,0|3,0,0]=4 329 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,1,0,0,0,0|3,0,0]=4 330 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,0,0,0,0|3,0,0]=4 331 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,0,0,0,0|3,0,0]=4 332 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|2,0,0]=3 333 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|2,0,0]=3 334 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|2,0,0]=3 335 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|3,0,0]=4 336 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|3,0,0]=4 337 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|3,0,0]=4 338 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|3,0,0]=4 339 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|3,0,0]=4 340 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|3,0,0]=4 341 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|3,0,0]=4 342 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|3,0,0]=4 343 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|2,0,0]=3 344 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|2,0,0]=3 345 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|3,0,0]=4 346 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|3,0,0]=4 347 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|1,1,0]=3 348 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|1,1,0]=3 349 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|2,1,0]=4 350 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|2,1,0]=4 351 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|2,1,0]=4 352 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|2,1,0]=4 353 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|1,0,0]=2 356 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|1,0,0]=2 357 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|2,0,0]=3 358 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|2,0,0]=3 359 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|2,0,0]=3 360 B6R0.1 CCSC(F)C#N 62a_100000210202_200000117898 [0,1,0,0,0,0|2,0,1]=4 361 B6R0.1 CCSC(F)C#N 62a_200000117898_100000210202 [0,1,0,0,0,0|2,0,1]=4 362 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|2,0,0]=3 363 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|2,0,0]=3 364 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|3,0,0]=4 365 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|3,0,0]=4 366 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|3,0,0]=4 367 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|3,0,0]=4 368 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|3,0,0]=4 369 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|3,0,0]=4 370 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|3,0,0]=4 371 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|3,0,0]=4 372 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|3,0,0]=4 373 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|3,0,0]=4 374 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,1,0,0,0,0|3,0,0]=4 375 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,1,0,0,0,0|3,0,0]=4 376 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,0,0,0,0|3,0,0]=4 377 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,0,0,0,0|3,0,0]=4 378 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,1,0,0,0,0|1,0,2]=4 379 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|1,1,1]=4 381 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|1,1,1]=4 382 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|1,0,1]=3 383 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|1,0,1]=3 384 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,1,0,0,0,0|1,0,2]=4 387 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,1,0,0,0,0|1,0,2]=4 388 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,1,0,0,0,0|1,0,2]=4 389 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,1,0,0,0,0|1,0,2]=4 390 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,1,0,0,0,0|3,0,0]=4 391 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,1,0,0,0,0|2,1,0]=4 392 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|3,0,0]=4 393 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|3,0,0]=4 394 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,0,0,0,0|3,0,0]=4 395 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,0,0,0,0|3,0,0]=4 396 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,1,0,0,0,0|3,0,0]=4 397 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,1,0,0,0,0|2,1,0]=4 398 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,1,0,0,0,0|2,0,0]=3 399 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,1,0,0,0,0|2,0,0]=3 400 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,1,0,0,0,0|3,0,0]=4 401 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,1,0,0,0,0|3,0,0]=4 402 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,1,0,0,0,0|3,0,0]=4 403 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,0,0,0,0|3,0,0]=4 404 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,0,0,0,0|3,0,0]=4 405 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,0,0,0,0|3,0,0]=4 406 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,0,0,0,0|3,0,0]=4 407 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,1,0,0,0,0|2,1,0]=4 408 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,1,0,0,0,0|2,1,0]=4 409 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,1,0,0,0,0|2,1,0]=4 410 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,0,0,0,0|2,1,0]=4 411 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,0,0,0,0|2,1,0]=4 412 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,0,0,0,0|2,1,0]=4 413 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,1,0,0,0,0|2,0,1]=4 414 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,0,0,0,0|2,0,0]=3 418 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,0,0,0,0|2,0,0]=3 419 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,0,0,0,0|2,0,0]=3 420 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,0,0,0,0|2,0,0]=3 421 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,1,0,0,0,0|2,1,0]=4 422 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,1,0,0,0,0|3,0,0]=4 423 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,1,0,0,0,0|3,0,0]=4 424 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,1,0,0,0,0|3,0,0]=4 425 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,1,0,0,0,0|3,0,0]=4 426 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,1,0,0,0,0|2,0,0]=3 427 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,1,0,0,0,0|2,0,0]=3 428 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,1,0,0,0,0|2,0,1]=4 429 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,0,0,0,0|2,0,1]=4 430 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,0,0,0,0|2,0,1]=4 431 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|2,0,1]=4 432 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|2,0,1]=4 433 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|2,0,1]=4 434 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|2,0,1]=4 435 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|2,0,1]=4 436 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,1,0,0,0,0|3,0,0]=4 438 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,1,0,0,0,0|3,0,0]=4 439 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,1,0,0,0,0|3,0,0]=4 440 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,1,0,0,0,0|3,0,0]=4 441 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,1,0,0,0,0|3,0,0]=4 442 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 443 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 444 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 445 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|2,0,1]=4 446 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,0,0,0,0|2,0,0]=3 447 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,0,0,0,0|2,0,0]=3 448 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,0,0,0,0|1,1,0]=3 449 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,0,0,0,0|1,1,0]=3 450 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|1,0,0]=2 451 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|1,0,0]=2 452 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,0,0,0,0|2,0,0]=3 453 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,0,0,0,0|2,0,0]=3 454 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,0,0,0,0|2,0,0]=3 455 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,0,0,0,0|2,0,0]=3 456 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,1,0,0,0,0|2,0,0]=3 457 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,1,0,0,0,0|2,0,0]=3 458 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,1,0,0,0,0|2,0,0]=3 459 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [0,1,0,0,0,0|3,0,0]=4 460 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [0,1,0,0,0,0|3,0,0]=4 461 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,1,0,0,0,0|2,0,0]=3 462 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,0,0,0,0|2,0,1]=4 463 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|1,1,1]=4 464 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|1,1,1]=4 465 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|1,1,1]=4 466 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,1,0,0,0,0|1,1,0]=3 467 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,0,0,0,0|1,1,0]=3 468 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,0,0,0,0|1,1,0]=3 469 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,1,0,0,0,0|1,1,0]=3 470 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,1,0,0,0,0|1,1,0]=3 471 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,1,0,0,0,0|2,1,0]=4 472 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,1,0,0,0,0|2,1,0]=4 473 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,0,0,0,0|2,1,0]=4 474 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,1,0,0,0,0|1,1,0]=3 475 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,1,0,0,0,0|1,1,0]=3 476 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,1,0,0,0,0|1,1,0]=3 477 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|1,0,1]=3 478 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,0,0,0,0|2,0,1]=4 479 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,0,0,0,0|2,0,1]=4 480 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|1,0,1]=3 481 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,0,0,0,0|2,0,1]=4 482 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,0,0,0,0|2,0,1]=4 483 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|1,0,0]=2 484 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|1,0,0]=2 485 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,1,0,0,0,0|1,0,0]=2 486 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,1,0,0,0,0|1,0,0]=2 487 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,1,0,0,0,0|2,0,0]=3 488 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,1,0,0,0,0|2,0,0]=3 489 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,1,0,0,0,0|1,0,0]=2 490 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,1,0,0,0,0|1,0,0]=2 491 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,1,0,0,0,0|3,0,0]=4 492 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,0,0,0,0|3,0,0]=4 493 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,0,0,0,0|3,0,0]=4 494 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,0,0,0,0|3,0,0]=4 495 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,0,0,0,0|3,0,0]=4 496 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,1,0,0,0,0|3,0,0]=4 497 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,1,0,0,0,0|3,0,0]=4 498 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,1,0,0,0,0|3,0,0]=4 499 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,1,0,0,0,0|3,0,0]=4 500 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,1,0,0,0,0|2,1,0]=4 501 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,1,0,0,0,0|2,1,0]=4 502 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,1,0,0,0,0|3,0,0]=4 503 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|3,0,0]=4 505 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|3,0,0]=4 506 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,1,0,0,0,0|3,0,0]=4 507 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,0,0,0,0|3,0,0]=4 508 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,0,0,0,0|3,0,0]=4 509 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,0,0,0,0|2,1,0]=4 510 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,0,0,0,0|2,0,0]=3 511 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,0,0,0,0|2,0,0]=3 512 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,0,0,0,0|3,0,0]=4 513 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,0,0,0,0|3,0,0]=4 514 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,1,0,0,0,0|3,0,0]=4 515 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,1,0,0,0,0|3,0,0]=4 516 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,1,0,0,0,0|3,0,0]=4 517 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,1,0,0,0,0|3,0,0]=4 518 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,0,0,0,0|2,1,0]=4 519 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,0,0,0,0|2,1,0]=4 520 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,0,0,0,0|2,1,0]=4 521 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,0,0,0,0|2,0,0]=3 522 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,0,0,0,0|2,0,0]=3 523 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,1,0,0,0,0|2,1,0]=4 524 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|3,0,0]=4 525 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,1,0,0,0,0|2,1,0]=4 526 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,1,0,0,0,0|2,0,0]=3 527 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,1,0,0,0,0|2,0,0]=3 528 B6R0.4 FCSCC(F)F 62a_100011934356_100015361967 [0,1,0,0,0,0|3,0,0]=4 529 B6R0.4 FCSCC(F)F 62a_100015361967_100011934356 [0,1,0,0,0,0|3,0,0]=4 530 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,1,0,0,0,0|2,0,1]=4 531 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,1,0,0,0,0|2,0,1]=4 532 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,1,0,0,0,0|1,1,1]=4 533 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,1,0,0,0,0|1,1,1]=4 534 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,1,0,0,0,0|1,0,1]=3 535 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,1,0,0,0,0|1,0,1]=3 536 B6R0.6 C#CCCSCF 62a_100000688953_100015361967 [0,1,0,0,0,0|2,0,1]=4 537 B6R0.6 C#CCCSCF 62a_100015361967_100000688953 [0,1,0,0,0,0|2,0,1]=4 538 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,1,0,0,0,0|1,1,1]=4 540 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,1,0,0,0,0|1,1,1]=4 541 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,1,0,0,0,0|1,0,1]=3 542 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [0,1,0,0,0,0|1,0,2]=4 543 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,1,0,0,0,0|1,0,2]=4 544 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [0,1,0,0,0,0|1,0,2]=4 545 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [0,1,0,0,0,0|1,0,2]=4 546 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,1,0,0,0,0|1,1,1]=4 549 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,1,0,0,0,0|1,1,1]=4 550 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,1,0,0,0,0|1,0,1]=3 551 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,1,0,0,0,0|1,0,1]=3 552 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [0,1,0,0,0,0|2,0,1]=4 553 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [0,1,0,0,0,0|2,0,1]=4 554 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,1,0,0,0,0|2,0,1]=4 555 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,1,0,0,0,0|2,0,1]=4 556 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,1,0,0,0,0|1,1,1]=4 557 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,1,0,0,0,0|1,1,1]=4 558 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,1,0,0,0,0|1,0,1]=3 559 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,1,0,0,0,0|1,0,1]=3 560 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,1,0,0,0,0|2,0,1]=4 561 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,1,0,0,0,0|2,0,1]=4 562 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,1,0,0,0,0|2,0,1]=4 563 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,1,0,0,0,0|1,1,1]=4 564 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,1,0,0,0,0|1,1,1]=4 565 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,1,0,0,0,0|1,0,1]=3 566 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,1,0,0,0,0|1,0,1]=3 567 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,1,0,0,0,0|1,0,2]=4 568 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,1,0,0,0,0|1,0,2]=4 569 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,1,0,0,0,0|1,0,2]=4 570 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,1,0,0,0,0|1,0,2]=4 571 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,1,0,0,0,0|1,0,2]=4 572 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,1,0,0,0,0|1,0,2]=4 573 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,1,0,0,0,0|1,0,2]=4 574 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,1,0,0,0,0|1,0,2]=4 575 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,1,0,0,0,0|2,0,1]=4 576 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,1,0,0,0,0|2,0,1]=4 577 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [0,1,0,0,0,0|2,0,1]=4 578 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [0,1,0,0,0,0|2,0,1]=4 579 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [0,1,0,0,0,0|2,0,1]=4 580 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,1,0,0,0,0|1,1,1]=4 581 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,1,0,0,0,0|1,1,1]=4 582 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [0,1,0,0,0,0|1,0,1]=3 583 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [0,1,0,0,0,0|1,0,1]=3 584 B6R0.6 CC#CCSCF 62a_100000748600_100015361967 [0,1,0,0,0,0|2,0,1]=4 585 B6R0.6 CC#CCSCF 62a_100015361967_100000748600 [0,1,0,0,0,0|2,0,1]=4 586 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,1,0,0,0,0|2,0,0]=3 587 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,1,0,0,0,0|2,0,0]=3 588 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,1,0,0,0,0|2,0,0]=3 589 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,1,0,0,0,0|2,0,0]=3 590 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,1,0,0,0,0|2,0,0]=3 591 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,1,0,0,0,0|2,0,0]=3 592 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,1,0,0,0,0|2,0,0]=3 593 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,1,0,0,0,0|2,0,0]=3 594 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,1,0,0,0,0|2,0,0]=3 595 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,1,0,0,0,0|2,0,0]=3 596 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,1,0,0,0,0|2,0,1]=4 597 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,1,0,0,0,0|1,1,1]=4 598 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,1,0,0,0,0|1,0,1]=3 599 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,1,0,0,0,0|1,0,1]=3 600 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [0,1,0,0,0,0|2,0,1]=4 601 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [0,1,0,0,0,0|2,0,1]=4 602 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,1,0,0,0,0|2,0,1]=4 603 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,1,0,0,0,0|2,0,1]=4 604 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [0,1,0,0,0,0|2,0,0]=3 605 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [0,1,0,0,0,0|2,0,0]=3 606 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,1,0,0,0,0|2,0,0]=3 608 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,1,0,0,0,0|2,0,0]=3 609 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,1,0,0,0,0|2,0,0]=3 610 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [0,1,0,0,0,0|2,0,0]=3 611 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [0,1,0,0,0,0|2,0,0]=3 612 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [0,1,0,0,0,0|2,0,0]=3 613 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [0,1,0,0,0,0|2,0,0]=3 614 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [0,1,0,0,0,0|2,0,0]=3 615 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,1,0,0,0,0|2,0,0]=3 616 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,1,0,0,0,0|2,0,0]=3 617 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,1,0,0,0,0|2,0,0]=3 618 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,1,0,0,0,0|2,0,0]=3 619 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,1,0,0,0,0|2,0,0]=3 620 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,1,0,0,0,0|2,0,0]=3 621 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,1,0,0,0,0|2,0,0]=3 622 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,1,0,0,0,0|2,0,0]=3 623 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,1,0,0,0,0|2,0,0]=3 624 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,1,0,0,0,0|2,0,0]=3 625 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,1,0,0,0,0|2,0,0]=3 626 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,1,0,0,0,0|2,0,0]=3 627 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,1,0,0,0,0|2,0,0]=3 628 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,1,0,0,0,0|2,0,0]=3 629 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,1,0,0,0,0|2,0,0]=3 630 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,1,0,0,0,0|2,0,0]=3 631 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,1,0,0,0,0|2,0,0]=3 632 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,1,0,0,0,0|3,0,0]=4 633 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,1,0,0,0,0|1,1,0]=3 634 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,1,0,0,0,0|1,1,0]=3 635 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,1,0,0,0,0|1,1,0]=3 636 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,1,0,0,0,0|2,1,0]=4 637 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,1,0,0,0,0|2,1,0]=4 638 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,1,0,0,0,0|1,0,0]=2 639 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,1,0,0,0,0|1,0,0]=2 640 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,1,0,0,0,0|2,0,0]=3 641 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,1,0,0,0,0|2,0,0]=3 642 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,1,0,0,0,0|2,0,0]=3 643 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,1,0,0,0,0|2,0,0]=3 644 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,1,0,0,0,0|2,0,0]=3 645 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,1,0,0,0,0|1,1,1]=4 646 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,1,0,0,0,0|1,1,0]=3 647 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,1,0,0,0,0|1,1,0]=3 648 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,1,0,0,0,0|1,1,0]=3 649 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,1,0,0,0,0|1,1,0]=3 650 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,1,0,0,0,0|1,1,0]=3 651 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,1,0,0,0,0|1,1,0]=3 652 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,1,0,0,0,0|1,0,1]=3 653 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,1,0,0,0,0|1,0,1]=3 654 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,1,0,0,0,0|1,0,1]=3 655 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,1,0,0,0,0|1,0,1]=3 656 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,1,0,0,0,0|1,0,0]=2 657 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,1,0,0,0,0|1,0,0]=2 658 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,1,0,0,0,0|1,0,0]=2 659 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,1,0,0,0,0|1,0,0]=2 660 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,1,0,0,0,0|1,0,0]=2 661 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,1,0,0,0,0|1,0,0]=2 662 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,1,0,0,0,0|1,0,0]=2 663 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,1,0,0,0,0|1,0,0]=2 664 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,1,0,0,0,0|1,0,0]=2 665 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,1,0,0,0,0|2,0,1]=4 666 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,1,0,0,0,0|2,0,0]=3 667 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,1,0,0,0,0|2,0,0]=3 668 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,1,0,0,0,0|2,0,0]=3 669 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,1,0,0,0,0|2,0,0]=3 670 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,1,0,0,0,0|2,0,0]=3 671 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,1,0,0,0,0|2,0,0]=3 672 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,1,0,0,0,0|2,0,0]=3 673 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,1,0,0,0,0|2,0,0]=3 674 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,1,0,0,0,0|1,1,0]=3 675 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,1,0,0,0,0|1,1,0]=3 676 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,1,0,0,0,0|1,1,0]=3 677 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,1,0,0,0,0|1,1,0]=3 678 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,1,0,0,0,0|1,1,0]=3 679 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,1,0,0,0,0|1,1,0]=3 680 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,1,0,0,0,0|1,1,0]=3 681 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,1,0,0,0,0|1,1,0]=3 682 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,1,0,0,0,0|1,1,0]=3 683 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,1,0,0,0,0|1,1,0]=3 684 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,1,0,0,0,0|1,1,0]=3 685 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,1,0,0,0,0|1,1,0]=3 686 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,1,0,0,0,0|1,1,0]=3 687 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,1,0,0,0,0|1,1,0]=3 688 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,1,0,0,0,0|1,1,0]=3 689 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,1,0,0,0,0|1,1,0]=3 690 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,1,0,0,0,0|1,1,0]=3 691 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,1,0,0,0,0|1,1,0]=3 692 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,1,0,0,0,0|2,1,0]=4 693 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,1,0,0,0,0|1,1,0]=3 694 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,1,0,0,0,0|1,1,0]=3 695 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,1,0,0,0,0|1,1,0]=3 696 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,1,0,0,0,0|1,1,0]=3 697 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,1,0,0,0,0|1,1,0]=3 698 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,1,0,0,0,0|1,1,0]=3 699 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,1,0,0,0,0|1,1,0]=3 700 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,1,0,0,0,0|1,1,0]=3 701 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,1,0,0,0,0|1,1,0]=3 702 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,1,0,0,0,0|0,1,0]=2 703 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,1,0,0,0,0|0,1,0]=2 704 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,1,0,0,0,0|1,1,0]=3 705 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,1,0,0,0,0|1,1,0]=3 706 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,1,0,0,0,0|1,0,1]=3 707 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,1,0,0,0,0|1,0,1]=3 708 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,1,0,0,0,0|1,0,0]=2 709 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,1,0,0,0,0|1,0,0]=2 710 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,1,0,0,0,0|1,0,0]=2 711 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,1,0,0,0,0|1,0,0]=2 712 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,1,0,0,0,0|1,0,0]=2 713 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,1,0,0,0,0|1,0,0]=2 714 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,1,0,0,0,0|1,0,0]=2 715 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,1,0,0,0,0|1,0,0]=2 716 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,1,0,0,0,0|1,0,0]=2 717 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,1,0,0,0,0|1,0,0]=2 718 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,1,0,0,0,0|1,0,0]=2 719 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,1,0,0,0,0|1,0,0]=2 720 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,1,0,0,0,0|1,0,0]=2 721 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,1,0,0,0,0|1,0,0]=2 722 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,1,0,0,0,0|1,0,0]=2 723 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,1,0,0,0,0|1,0,0]=2 724 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,1,0,0,0,0|1,0,0]=2 725 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,1,0,0,0,0|1,0,0]=2 726 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,1,0,0,0,0|1,0,0]=2 727 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,1,0,0,0,0|1,0,0]=2 728 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,1,0,0,0,0|1,0,0]=2 729 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,1,0,0,0,0|1,0,0]=2 730 B6R0.6 CCSCSC#N 62a_100000210202_100000211825 [0,1,0,0,0,0|1,0,1]=3 731 B6R0.6 CCSCSC#N 62a_100000211825_100000210202 [0,1,0,0,0,0|1,0,1]=3 732 B6R0.6 CNCC#CCO 2230a_106832991635_200000047223 [0,1,0,0,0,0|3,0,0]=4 733 B6R0.6 CNCC#CCO 34a_100102657272_200000047223 [0,1,0,0,0,0|3,0,0]=4 734 B6R0.6 CNCC#CCO 7a_106832991635_200000047223 [0,1,0,0,0,0|3,0,0]=4 735 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,1,0,0,0,0|3,0,0]=4 736 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,1,0,0,0,0|3,0,0]=4 737 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,1,0,0,0,0|3,0,0]=4 738 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,1,0,0,0,0|3,0,0]=4 739 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,1,0,0,0,0|3,0,0]=4 740 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,1,0,0,0,0|3,0,0]=4 741 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,1,0,0,0,0|3,0,0]=4 742 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,1,0,0,0,0|3,0,0]=4 743 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,1,0,0,0,0|3,0,0]=4 744 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,1,0,0,0,0|3,0,0]=4 745 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,1,0,0,0,0|3,0,0]=4 746 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,1,0,0,0,0|3,0,0]=4 747 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,1,0,0,0,0|3,0,0]=4 748 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,1,0,0,0,0|3,0,0]=4 749 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,1,0,0,0,0|3,0,0]=4 750 B6R0.6 COCC#CCCl 34a_200000047223_200000210301 [0,1,0,0,0,0|3,0,0]=4 751 B6R0.6 COCC#CCO 34a_100138415774_200000047223 [0,1,0,0,0,0|3,0,0]=4 752 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,1,0,0,0,0|3,0,0]=4 753 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,1,0,0,0,0|3,0,0]=4 754 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,1,0,0,0,0|3,0,0]=4 755 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,1,0,0,0,0|3,0,0]=4 756 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,1,0,0,0,0|3,0,0]=4 757 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,1,0,0,0,0|3,0,0]=4 758 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,1,0,0,0,0|3,0,0]=4 759 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,1,0,0,0,0|3,0,0]=4 760 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,1,0,0,0,0|3,0,0]=4 761 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,1,0,0,0,0|3,0,0]=4 762 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,1,0,0,0,0|3,0,0]=4 763 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,1,0,0,0,0|3,0,0]=4 764 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,1,0,0,0,0|3,0,0]=4 765 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,1,0,0,0,0|3,0,0]=4 766 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,1,0,0,0,0|3,0,0]=4 767 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,1,0,0,0,0|3,0,0]=4 768 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,1,0,0,0,0|3,0,0]=4 769 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,1,0,0,0,0|3,0,0]=4 770 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,1,0,0,0,0|3,0,0]=4 771 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,1,0,0,0,0|2,1,0]=4 772 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,1,0,0,0,0|2,0,0]=3 773 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,1,0,0,0,0|2,0,0]=3 774 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,1,0,0,0,0|3,0,0]=4 775 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [0,1,0,0,0,0|2,0,1]=4 776 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [0,1,0,0,0,0|2,0,1]=4 777 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,1,0,0,0,0|2,0,1]=4 778 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,1,0,0,0,0|2,0,1]=4 779 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,1,0,0,0,0|2,0,0]=3 780 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,1,0,0,0,0|2,0,0]=3 781 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,1,0,0,0,0|2,0,0]=3 782 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,1,0,0,0,0|2,0,0]=3 783 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,1,0,0,0,0|2,0,0]=3 784 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,1,0,0,0,0|2,0,0]=3 785 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,1,0,0,0,0|2,0,0]=3 786 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [0,1,0,0,0,0|3,0,0]=4 787 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [0,1,0,0,0,0|3,0,0]=4 788 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,1,0,0,0,0|3,0,0]=4 789 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,1,0,0,0,0|3,0,0]=4 790 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,1,0,0,0,0|3,0,0]=4 791 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,1,0,0,0,0|3,0,0]=4 792 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,1,0,0,0,0|3,0,0]=4 793 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,1,0,0,0,0|3,0,0]=4 794 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,1,0,0,0,0|3,0,0]=4 795 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,1,0,0,0,0|2,1,0]=4 796 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,1,0,0,0,0|2,1,0]=4 797 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [0,1,0,0,0,0|2,0,1]=4 798 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [0,1,0,0,0,0|2,0,1]=4 799 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,1,0,0,0,0|2,0,0]=3 800 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,1,0,0,0,0|2,0,0]=3 801 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,1,0,0,0,0|3,0,0]=4 802 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,1,0,0,0,0|3,0,0]=4 803 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,1,0,0,0,0|3,0,0]=4 804 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,1,0,0,0,0|2,1,0]=4 805 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,1,0,0,0,0|2,1,0]=4 806 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [0,1,0,0,0,0|2,0,1]=4 807 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [0,1,0,0,0,0|2,0,1]=4 808 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,1,0,0,0,0|2,0,1]=4 809 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,1,0,0,0,0|2,0,1]=4 810 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,1,0,0,0,0|2,0,0]=3 811 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,1,0,0,0,0|2,0,0]=3 812 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,1,0,0,0,0|2,0,0]=3 813 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,1,0,0,0,0|2,0,0]=3 814 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [0,1,0,0,0,0|2,0,0]=3 815 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,1,0,0,0,0|3,0,0]=4 816 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,1,0,0,0,0|2,1,0]=4 817 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,1,0,0,0,0|2,0,0]=3 818 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,1,0,0,0,0|2,0,0]=3 819 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,1,0,0,0,0|3,0,0]=4 820 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,1,0,0,0,0|2,1,0]=4 821 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,1,0,0,0,0|2,0,0]=3 822 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,1,0,0,0,0|2,1,0]=4 823 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,1,0,0,0,0|2,1,0]=4 824 B6R0.6 N#CCCSCF 62a_100011215226_100015361967 [0,1,0,0,0,0|2,0,1]=4 825 B6R0.6 N#CCCSCF 62a_100015361967_100011215226 [0,1,0,0,0,0|2,0,1]=4 826 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [0,1,0,0,0,0|2,0,1]=4 827 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [0,1,0,0,0,0|2,0,1]=4 828 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,1,0,0,0,0|2,0,1]=4 829 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,1,0,0,0,0|2,0,1]=4 830 B6R0.6 N#CSCSCF 62a_100000211825_100015361967 [0,1,0,0,0,0|2,0,1]=4 831 B6R0.6 N#CSCSCF 62a_100015361967_100000211825 [0,1,0,0,0,0|2,0,1]=4 832 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,1,0,0,0,0|2,1,0]=4 833 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,1,0,0,0,0|2,1,0]=4 834 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,1,0,0,0,0|2,1,0]=4 835 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,1,0,0,0,0|2,0,1]=4 836 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,1,0,0,0,0|2,0,1]=4 837 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,1,0,0,0,0|2,0,1]=4 838 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,1,0,0,0,0|2,0,1]=4 839 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,1,0,0,0,0|2,0,0]=3 840 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,1,0,0,0,0|2,0,0]=3 841 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,1,0,0,0,0|3,0,0]=4 842 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,1,0,0,0,0|3,0,0]=4 843 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,1,0,0,0,0|3,0,0]=4 844 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,1,0,0,0,0|3,0,0]=4 845 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,1,0,0,0,0|3,0,0]=4 846 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,1,0,0,0,0|2,1,0]=4 847 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,1,0,0,0,0|2,0,0]=3 848 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,1,0,0,0,0|2,0,0]=3 849 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,1,0,0,0,0|2,0,0]=3 850 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,1,0,0,0,0|3,0,0]=4 851 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,1,0,0,0,0|3,0,0]=4 852 B6R0.6 [13CH3]OCC#CCCl 34a_200000047223_200025704644 [0,1,0,0,0,0|3,0,0]=4 853 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,1,0,0,0,0|3,0,0]=4 854 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,1,0,0,0,0|3,0,0]=4 855 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,1,0,0,0,0|3,0,0]=4 856 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,1,0,0,0,0|3,0,0]=4 857 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,1,0,0,0,0|3,0,0]=4 858 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,1,0,0,0,0|3,0,0]=4 859 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,1,0,0,0,0|3,0,0]=4 860 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [0,1,0,0,0,0|3,0,0]=4 861 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [0,1,0,0,0,0|3,0,0]=4 862 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,1,0,0,0,0|3,0,0]=4 863 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,1,0,0,0,0|3,0,0]=4 864 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,1,0,0,0,0|3,0,0]=4 865 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,1,0,0,0,0|3,0,0]=4 866 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [0,1,0,0,0,0|2,0,1]=4 867 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [0,1,0,0,0,0|2,0,1]=4 868 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,1,0,0|3,0,0]=4 869 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,1,0,0|3,0,0]=4 870 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,1,0,0|2,0,0]=3 871 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,1,0,0|2,0,0]=3 872 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,1,0,0|3,0,0]=4 873 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,1,0,0|3,0,0]=4 874 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,1,0,0|2,0,0]=3 875 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,1,0,0|2,0,0]=3 876 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,0,0,1,0,0|2,0,0]=3 877 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,0,0,1,0,0|1,1,0]=3 878 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,0,1,0,0|1,0,0]=2 879 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,0,0,1,0,0|3,0,0]=4 880 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,0,0,1,0,0|3,0,0]=4 881 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,0,0,1,0,0|3,0,0]=4 882 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,0,0,1,0,0|3,0,0]=4 883 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,0,0,1,0,0|3,0,0]=4 884 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,0,0,1,0,0|3,0,0]=4 885 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,0,0,1,0,0|3,0,0]=4 886 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,0,0,1,0,0|3,0,0]=4 887 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,0,0,1,0,0|3,0,0]=4 888 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,0,0,1,0,0|3,0,0]=4 889 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,0,0,1,0,0|3,0,0]=4 890 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,0,0,1,0,0|2,0,0]=3 891 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,0,0,1,0,0|3,0,0]=4 892 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,0,0,1,0,0|3,0,0]=4 893 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,0,0,1,0,0|3,0,0]=4 894 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,0,0,1,0,0|3,0,0]=4 895 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,0,0,1,0,0|3,0,0]=4 896 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,1,0,0|3,0,0]=4 897 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,1,0,0|3,0,0]=4 898 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,1,0,0|3,0,0]=4 899 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,1,0,0|3,0,0]=4 900 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,0,0,1,0,0|2,0,0]=3 901 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,0,0,1,0,0|3,0,0]=4 902 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,0,0,1,0,0|3,0,0]=4 903 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,0,0,1,0,0|3,0,0]=4 904 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,0,0,1,0,0|3,0,0]=4 905 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,0,0,1,0,0|3,0,0]=4 906 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,0,0,1,0,0|3,0,0]=4 907 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,0,0,1,0,0|3,0,0]=4 908 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,0,0,1,0,0|3,0,0]=4 909 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,0,0,1,0,0|3,0,0]=4 910 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,0,0,1,0,0|3,0,0]=4 911 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,0,0,1,0,0|3,0,0]=4 912 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,0,0,1,0,0|3,0,0]=4 913 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,0]=3 914 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 915 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,0]=3 916 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 917 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,0]=3 918 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|0,1,0]=3 919 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|0,1,0]=3 920 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|0,1,0]=3 921 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|0,0,0]=2 922 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|0,0,0]=2 923 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|0,0,0]=2 924 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|0,0,0]=2 925 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 926 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 927 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|1,1,0]=4 928 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|1,0,0]=3 929 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|1,0,0]=3 930 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|1,0,0]=3 931 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|1,0,0]=3 932 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|1,0,1]=4 933 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|1,0,1]=4 934 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|1,0,1]=4 935 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|1,0,1]=4 936 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|1,1,0]=4 937 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|2,0,0]=4 938 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|2,0,0]=4 939 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|1,1,0]=4 940 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|1,0,0]=3 941 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|1,0,0]=3 942 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|2,0,0]=4 943 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|1,1,0]=4 944 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|1,0,0]=3 945 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|1,0,0]=3 946 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|1,1,0]=4 947 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|2,0,0]=4 948 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|2,0,0]=4 949 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|1,0,0]=3 950 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|1,0,0]=3 951 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|1,0,1]=4 952 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|1,0,1]=4 953 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|1,0,1]=4 954 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,1,0,0,0,0|2,0,0]=4 955 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,1,0,0,0,0|2,0,0]=4 956 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,1,0,0,0,0|2,0,0]=4 957 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,1,0,0,0,0|2,0,0]=4 958 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,1,0,0,0,0|2,0,0]=4 959 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,1,0,0,0,0|2,0,0]=4 960 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|1,0,1]=4 961 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|1,0,1]=4 962 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|1,0,1]=4 963 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|1,0,0]=3 964 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|1,0,0]=3 965 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|1,0,0]=3 966 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|0,1,0]=3 967 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|0,1,0]=3 968 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|0,0,0]=2 969 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|0,0,0]=2 970 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|2,0,0]=4 971 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|2,0,0]=4 972 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|2,0,0]=4 973 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|2,0,0]=4 974 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|2,0,0]=4 975 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|2,0,0]=4 976 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|2,0,0]=4 977 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|2,0,0]=4 978 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|2,0,0]=4 979 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|2,0,0]=4 980 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|2,0,0]=4 981 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|2,0,0]=4 982 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|2,0,0]=4 983 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|2,0,0]=4 984 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|1,1,0]=4 985 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|1,1,0]=4 986 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|1,1,0]=4 987 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|1,1,0]=4 988 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|1,1,0]=4 989 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|1,1,0]=4 990 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|1,1,0]=4 991 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|1,1,0]=4 992 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|1,0,1]=4 993 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|1,0,1]=4 994 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|1,0,0]=3 995 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|1,0,0]=3 996 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|1,0,0]=3 997 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|1,0,0]=3 998 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,1,0,0,0,0|2,0,0]=4 999 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,1,0,0,0,0|2,0,0]=4 1000 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,1,0,0,0,0|2,0,0]=4 1001 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,1,0,0,0,0|2,0,0]=4 1002 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|1,0,0]=3 1003 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|1,0,0]=3 1004 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|1,1,0]=4 1005 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|1,1,0]=4 1006 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|1,0,0]=3 1007 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|1,0,0]=3 1008 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,1,0,0,0,0|2,0,0]=4 1009 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,1,0,0,0,0|2,0,0]=4 1010 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|2,0,0]=4 1011 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|1,0,0]=3 1012 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|2,0,0]=4 1013 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|2,0,0]=4 1014 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|2,0,0]=4 1015 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|2,0,0]=4 1016 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|2,0,0]=4 1017 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|2,0,0]=4 1018 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|2,0,0]=4 1019 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|2,0,0]=4 1020 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|2,0,0]=4 1021 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|2,0,0]=4 1022 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|2,0,0]=4 1023 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|1,1,0]=4 1024 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|1,1,0]=4 1025 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|1,1,0]=4 1026 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|1,0,0]=3 1027 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|1,0,0]=3 1028 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|1,0,0]=3 1029 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|1,0,0]=3 1030 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,1,0,0,0,0|1,0,0]=3 1031 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,1,0,0,0,0|1,0,0]=3 1032 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,1,0,0,0,0|1,0,0]=3 1033 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,1,0,0,0,0|1,0,0]=3 1034 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,1,0,0,0,0|1,0,0]=3 1035 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,1,0,0,0,0|2,0,0]=4 1036 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,1,0,0,0,0|1,0,0]=3 1037 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,1,0,0,0,0|1,0,0]=3 1038 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,1,0,0,0,0|1,0,0]=3 1039 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|2,0,0]=4 1040 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|2,0,0]=4 1041 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|2,0,0]=4 1042 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|2,0,0]=4 1043 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|2,0,0]=4 1044 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1045 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|2,0,0]=4 1046 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1047 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|2,0,0]=4 1048 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,2,0,0,0,0|2,0,0]=4 1049 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,2,0,0,0,0|2,0,0]=4 1050 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,2,0,0,0,0|2,0,0]=4 1051 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,2,0,0,0,0|2,0,0]=4 1052 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,2,0,0,0,0|2,0,0]=4 1053 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,2,0,0,0,0|2,0,0]=4 1054 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,2,0,0,0,0|2,0,0]=4 1055 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1056 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1057 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1058 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,2,0,0,0,0|2,0,0]=4 1059 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,2,0,0,0,0|2,0,0]=4 1060 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,2,0,0,0,0|2,0,0]=4 1061 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,2,0,0,0,0|2,0,0]=4 1062 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,2,0,0,0,0|1,1,0]=4 1063 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,2,0,0,0,0|1,1,0]=4 1064 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,2,0,0,0,0|1,0,0]=3 1065 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,2,0,0,0,0|1,0,0]=3 1066 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,2,0,0,0,0|2,0,0]=4 1067 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,2,0,0,0,0|2,0,0]=4 1068 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,2,0,0,0,0|2,0,0]=4 1069 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,2,0,0,0,0|2,0,0]=4 1070 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,2,0,0,0,0|2,0,0]=4 1071 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,2,0,0,0,0|2,0,0]=4 1072 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,2,0,0,0,0|2,0,0]=4 1073 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,2,0,0,0,0|2,0,0]=4 1074 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,2,0,0,0,0|2,0,0]=4 1075 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,2,0,0,0,0|2,0,0]=4 1076 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,2,0,0,0,0|2,0,0]=4 1077 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,2,0,0,0,0|2,0,0]=4 1078 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,2,0,0,0,0|2,0,0]=4 1079 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,2,0,0,0,0|2,0,0]=4 1080 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,2,0,0,0,0|2,0,0]=4 1081 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,2,0,0,0,0|2,0,0]=4 1082 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,2,0,0,0,0|2,0,0]=4 1083 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,2,0,0,0,0|2,0,0]=4 1084 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,2,0,0,0,0|2,0,0]=4 1085 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,2,0,0,0,0|2,0,0]=4 1086 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [0,2,0,0,0,0|2,0,0]=4 1087 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [0,2,0,0,0,0|2,0,0]=4 1088 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,2,0,0,0,0|1,1,0]=4 1089 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [0,2,0,0,0,0|1,0,0]=3 1090 B7R0.3 C#CC(C)SCCF 62a_200000035995_100011217306 [0,2,0,0,0,0|2,0,0]=4 1091 B7R0.3 C#CC(C)SCCO 62a_200000035995_100000211926 [0,2,0,0,0,0|2,0,0]=4 1092 B7R0.3 C#CC(C)SCOC 62a_200000035995_100000766300 [0,2,0,0,0,0|2,0,0]=4 1093 B7R0.3 C#CC(C)SCSC 62a_200000035995_100011218213 [0,2,0,0,0,0|2,0,0]=4 1094 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,2,0,0,0,0|1,0,1]=4 1095 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,2,0,0,0,0|1,1,0]=4 1096 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,2,0,0,0,0|1,1,0]=4 1097 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,2,0,0,0,0|1,1,0]=4 1098 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,2,0,0,0,0|1,1,0]=4 1099 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,2,0,0,0,0|1,1,0]=4 1100 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,2,0,0,0,0|1,0,0]=3 1101 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [0,2,0,0,0,0|2,0,0]=4 1102 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,2,0,0,0,0|2,0,0]=4 1103 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,2,0,0,0,0|2,0,0]=4 1104 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,2,0,0,0,0|2,0,0]=4 1105 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,2,0,0,0,0|1,0,1]=4 1106 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,2,0,0,0,0|1,0,1]=4 1107 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,2,0,0,0,0|1,0,1]=4 1108 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,2,0,0,0,0|1,0,1]=4 1109 B7R0.3 CC(C#N)SCCF 62a_100000703298_100011217306 [0,2,0,0,0,0|2,0,0]=4 1110 B7R0.3 CC(C#N)SCCF 62a_100011217306_100000703298 [0,2,0,0,0,0|2,0,0]=4 1111 B7R0.3 CC(C#N)SCCO 62a_100000211926_100000703298 [0,2,0,0,0,0|2,0,0]=4 1112 B7R0.3 CC(C#N)SCCO 62a_100000703298_100000211926 [0,2,0,0,0,0|2,0,0]=4 1113 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,2,0,0,0,0|2,0,0]=4 1114 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,2,0,0,0,0|2,0,0]=4 1115 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,2,0,0,0,0|2,0,0]=4 1116 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [0,2,0,0,0,0|2,0,0]=4 1117 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [0,2,0,0,0,0|2,0,0]=4 1118 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [0,2,0,0,0,0|2,0,0]=4 1119 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [0,2,0,0,0,0|2,0,0]=4 1120 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,2,0,0,0,0|2,0,0]=4 1121 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,2,0,0,0,0|2,0,0]=4 1122 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|2,0,0]=4 1123 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|2,0,0]=4 1124 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,2,0,0,0,0|2,0,0]=4 1125 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,2,0,0,0,0|2,0,0]=4 1126 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,2,0,0,0,0|2,0,0]=4 1127 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,2,0,0,0,0|2,0,0]=4 1128 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1129 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1130 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1131 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1132 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,2,0,0,0,0|2,0,0]=4 1133 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,2,0,0,0,0|2,0,0]=4 1134 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,2,0,0,0,0|2,0,0]=4 1135 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,2,0,0,0,0|2,0,0]=4 1136 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,2,0,0,0,0|2,0,0]=4 1137 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,2,0,0,0,0|2,0,0]=4 1138 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,2,0,0,0,0|2,0,0]=4 1139 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,2,0,0,0,0|2,0,0]=4 1140 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,2,0,0,0,0|2,0,0]=4 1141 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,2,0,0,0,0|2,0,0]=4 1142 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,2,0,0,0,0|2,0,0]=4 1143 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,2,0,0,0,0|2,0,0]=4 1144 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,2,0,0,0,0|2,0,0]=4 1145 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,2,0,0,0,0|2,0,0]=4 1146 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,2,0,0,0,0|2,0,0]=4 1147 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,2,0,0,0,0|1,1,0]=4 1148 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,2,0,0,0,0|1,1,0]=4 1149 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,2,0,0,0,0|1,1,0]=4 1150 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,2,0,0,0,0|1,1,0]=4 1151 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,2,0,0,0,0|1,0,1]=4 1152 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,2,0,0,0,0|1,0,1]=4 1153 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,2,0,0,0,0|1,0,1]=4 1154 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,2,0,0,0,0|1,0,1]=4 1155 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,2,0,0,0,0|1,0,0]=3 1156 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,2,0,0,0,0|1,0,0]=3 1157 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,2,0,0,0,0|1,0,0]=3 1158 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,2,0,0,0,0|1,0,0]=3 1159 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,2,0,0,0,0|1,0,0]=3 1160 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,2,0,0,0,0|1,0,0]=3 1161 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,2,0,0,0,0|1,0,0]=3 1162 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,2,0,0,0,0|1,0,0]=3 1163 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,2,0,0,0,0|2,0,0]=4 1164 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,2,0,0,0,0|2,0,0]=4 1165 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|2,0,0]=4 1166 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,2,0,0,0,0|2,0,0]=4 1167 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,2,0,0,0,0|2,0,0]=4 1168 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,2,0,0,0,0|2,0,0]=4 1169 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,2,0,0,0,0|2,0,0]=4 1170 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,2,0,0,0,0|2,0,0]=4 1171 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,2,0,0,0,0|2,0,0]=4 1172 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,2,0,0,0,0|2,0,0]=4 1173 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,2,0,0,0,0|2,0,0]=4 1174 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,2,0,0,0,0|2,0,0]=4 1175 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,2,0,0,0,0|2,0,0]=4 1176 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,2,0,0,0,0|2,0,0]=4 1177 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,2,0,0,0,0|2,0,0]=4 1178 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,2,0,0,0,0|2,0,0]=4 1179 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,2,0,0,0,0|2,0,0]=4 1180 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,2,0,0,0,0|2,0,0]=4 1181 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,2,0,0,0,0|2,0,0]=4 1182 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,2,0,0,0,0|2,0,0]=4 1183 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,2,0,0,0,0|2,0,0]=4 1184 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,2,0,0,0,0|2,0,0]=4 1185 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,2,0,0,0,0|2,0,0]=4 1186 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,2,0,0,0,0|2,0,0]=4 1187 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,2,0,0,0,0|2,0,0]=4 1188 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,2,0,0,0,0|2,0,0]=4 1189 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,2,0,0,0,0|2,0,0]=4 1190 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,2,0,0,0,0|2,0,0]=4 1191 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,2,0,0,0,0|2,0,0]=4 1192 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,2,0,0,0,0|2,0,0]=4 1193 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,2,0,0,0,0|2,0,0]=4 1194 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,2,0,0,0,0|2,0,0]=4 1195 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [0,2,0,0,0,0|2,0,0]=4 1196 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,2,0,0,0,0|2,0,0]=4 1197 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,2,0,0,0,0|2,0,0]=4 1198 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,2,0,0,0,0|1,1,0]=4 1199 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,2,0,0,0,0|1,1,0]=4 1200 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,2,0,0,0,0|1,1,0]=4 1201 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,2,0,0,0,0|1,1,0]=4 1202 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,2,0,0,0,0|1,1,0]=4 1203 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,2,0,0,0,0|1,1,0]=4 1204 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,2,0,0,0,0|1,1,0]=4 1205 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [0,2,0,0,0,0|1,0,0]=3 1206 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [0,2,0,0,0,0|1,0,0]=3 1207 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,2,0,0,0,0|1,0,0]=3 1208 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,2,0,0,0,0|1,0,0]=3 1209 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,2,0,0,0,0|1,0,0]=3 1210 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,2,0,0,0,0|1,0,0]=3 1211 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,2,0,0,0,0|1,0,0]=3 1212 B7R0.3 CCCSC(F)C#N 62a_100000210303_200000117898 [0,2,0,0,0,0|1,0,1]=4 1213 B7R0.3 CCCSC(F)C#N 62a_200000117898_100000210303 [0,2,0,0,0,0|1,0,1]=4 1214 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,2,0,0,0,0|1,0,0]=3 1215 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,2,0,0,0,0|1,0,0]=3 1216 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,2,0,0,0,0|2,0,0]=4 1217 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,2,0,0,0,0|2,0,0]=4 1218 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,2,0,0,0,0|2,0,0]=4 1219 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,2,0,0,0,0|2,0,0]=4 1220 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,2,0,0,0,0|2,0,0]=4 1221 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,2,0,0,0,0|2,0,0]=4 1222 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,2,0,0,0,0|2,0,0]=4 1223 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,2,0,0,0,0|2,0,0]=4 1224 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,2,0,0,0,0|2,0,0]=4 1225 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,2,0,0,0,0|2,0,0]=4 1226 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,2,0,0,0,0|2,0,0]=4 1227 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,2,0,0,0,0|2,0,0]=4 1228 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,2,0,0,0,0|2,0,0]=4 1229 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,2,0,0,0,0|2,0,0]=4 1230 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,2,0,0,0,0|2,0,0]=4 1231 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,2,0,0,0,0|2,0,0]=4 1232 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,2,0,0,0,0|2,0,0]=4 1233 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,2,0,0,0,0|2,0,0]=4 1234 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,2,0,0,0,0|2,0,0]=4 1235 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,2,0,0,0,0|2,0,0]=4 1236 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,2,0,0,0,0|2,0,0]=4 1237 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,2,0,0,0,0|2,0,0]=4 1238 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,2,0,0,0,0|2,0,0]=4 1239 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,2,0,0,0,0|2,0,0]=4 1240 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,2,0,0,0,0|2,0,0]=4 1241 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,2,0,0,0,0|2,0,0]=4 1242 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,2,0,0,0,0|2,0,0]=4 1243 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,2,0,0,0,0|2,0,0]=4 1244 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,2,0,0,0,0|2,0,0]=4 1245 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,2,0,0,0,0|2,0,0]=4 1246 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,2,0,0,0,0|2,0,0]=4 1247 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,2,0,0,0,0|2,0,0]=4 1248 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,2,0,0,0,0|2,0,0]=4 1249 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,2,0,0,0,0|1,1,0]=4 1250 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,2,0,0,0,0|1,1,0]=4 1251 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,2,0,0,0,0|1,1,0]=4 1252 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,2,0,0,0,0|1,1,0]=4 1253 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,2,0,0,0,0|1,1,0]=4 1254 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,2,0,0,0,0|1,1,0]=4 1255 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,2,0,0,0,0|1,1,0]=4 1256 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,2,0,0,0,0|1,1,0]=4 1257 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,2,0,0,0,0|1,1,0]=4 1258 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,2,0,0,0,0|1,1,0]=4 1259 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,2,0,0,0,0|1,1,0]=4 1260 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,2,0,0,0,0|1,1,0]=4 1261 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,2,0,0,0,0|1,1,0]=4 1262 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,2,0,0,0,0|1,1,0]=4 1263 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,2,0,0,0,0|1,1,0]=4 1264 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,2,0,0,0,0|1,1,0]=4 1265 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,2,0,0,0,0|1,1,0]=4 1266 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,2,0,0,0,0|1,1,0]=4 1267 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,2,0,0,0,0|1,1,0]=4 1268 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,2,0,0,0,0|1,0,0]=3 1269 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,2,0,0,0,0|1,0,0]=3 1270 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,2,0,0,0,0|1,0,0]=3 1271 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,2,0,0,0,0|1,0,1]=4 1272 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,2,0,0,0,0|1,0,1]=4 1273 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,2,0,0,0,0|1,0,1]=4 1274 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,2,0,0,0,0|1,0,1]=4 1275 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,2,0,0,0,0|1,0,1]=4 1276 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,2,0,0,0,0|1,0,1]=4 1277 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,2,0,0,0,0|1,0,1]=4 1278 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,2,0,0,0,0|1,0,1]=4 1279 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,2,0,0,0,0|1,0,1]=4 1280 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,2,0,0,0,0|1,0,0]=3 1281 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,2,0,0,0,0|1,0,0]=3 1282 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,2,0,0,0,0|1,0,0]=3 1283 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,2,0,0,0,0|1,0,0]=3 1284 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,2,0,0,0,0|1,0,0]=3 1285 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,2,0,0,0,0|1,0,0]=3 1286 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,2,0,0,0,0|1,0,0]=3 1287 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,2,0,0,0,0|1,0,0]=3 1288 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,2,0,0,0,0|1,0,0]=3 1289 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,2,0,0,0,0|1,0,0]=3 1290 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,2,0,0,0,0|1,0,0]=3 1291 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,2,0,0,0,0|1,0,0]=3 1292 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,2,0,0,0,0|1,0,0]=3 1293 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,2,0,0,0,0|1,0,0]=3 1294 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,2,0,0,0,0|1,0,0]=3 1295 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,2,0,0,0,0|2,0,0]=4 1296 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,2,0,0,0,0|2,0,0]=4 1297 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,2,0,0,0,0|2,0,0]=4 1298 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,2,0,0,0,0|2,0,0]=4 1299 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,2,0,0,0,0|2,0,0]=4 1300 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,2,0,0,0,0|2,0,0]=4 1301 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,2,0,0,0,0|2,0,0]=4 1302 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,2,0,0,0,0|2,0,0]=4 1303 B7R0.3 COCSC(C)C#N 62a_100000703298_100000766300 [0,2,0,0,0,0|2,0,0]=4 1304 B7R0.3 COCSC(C)C#N 62a_100000766300_100000703298 [0,2,0,0,0,0|2,0,0]=4 1305 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,2,0,0,0,0|2,0,0]=4 1306 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,2,0,0,0,0|2,0,0]=4 1307 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,2,0,0,0,0|2,0,0]=4 1308 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,2,0,0,0,0|2,0,0]=4 1309 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,2,0,0,0,0|2,0,0]=4 1310 B7R0.3 CSCSC(C)C#N 62a_100000703298_100011218213 [0,2,0,0,0,0|2,0,0]=4 1311 B7R0.3 CSCSC(C)C#N 62a_100011218213_100000703298 [0,2,0,0,0,0|2,0,0]=4 1312 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,2,0,0,0,0|2,0,0]=4 1313 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,2,0,0,0,0|2,0,0]=4 1314 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,2,0,0,0,0|2,0,0]=4 1315 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,2,0,0,0,0|2,0,0]=4 1316 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,2,0,0,0,0|2,0,0]=4 1317 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,2,0,0,0,0|2,0,0]=4 1318 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,2,0,0,0,0|2,0,0]=4 1319 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,2,0,0,0,0|2,0,0]=4 1320 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,2,0,0,0,0|2,0,0]=4 1321 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,2,0,0,0,0|2,0,0]=4 1322 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,2,0,0,0,0|2,0,0]=4 1323 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,2,0,0,0,0|2,0,0]=4 1324 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,2,0,0,0,0|2,0,0]=4 1325 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,2,0,0,0,0|2,0,0]=4 1326 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,2,0,0,0,0|2,0,0]=4 1327 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,2,0,0,0,0|2,0,0]=4 1328 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,2,0,0,0,0|2,0,0]=4 1329 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,2,0,0,0,0|2,0,0]=4 1330 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,2,0,0,0,0|2,0,0]=4 1331 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,2,0,0,0,0|2,0,0]=4 1332 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,2,0,0,0,0|2,0,0]=4 1333 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,2,0,0,0,0|2,0,0]=4 1334 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,2,0,0,0,0|2,0,0]=4 1335 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,2,0,0,0,0|2,0,0]=4 1336 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,2,0,0,0,0|2,0,0]=4 1337 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,2,0,0,0,0|2,0,0]=4 1338 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,2,0,0,0,0|2,0,0]=4 1339 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,2,0,0,0,0|2,0,0]=4 1340 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,2,0,0,0,0|2,0,0]=4 1341 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,2,0,0,0,0|2,0,0]=4 1342 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 1343 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 1344 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,2,0,0,0,0|2,0,0]=4 1345 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,2,0,0,0,0|2,0,0]=4 1346 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,2,0,0,0,0|2,0,0]=4 1347 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,2,0,0,0,0|2,0,0]=4 1348 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,2,0,0,0,0|1,1,0]=4 1349 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|1,0,1]=4 1350 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|1,0,1]=4 1351 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|1,0,1]=4 1352 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|1,0,1]=4 1353 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,2,0,0,0,0|2,0,0]=4 1354 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,2,0,0,0,0|2,0,0]=4 1355 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,2,0,0,0,0|2,0,0]=4 1356 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,2,0,0,0,0|2,0,0]=4 1357 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,2,0,0,0,0|2,0,0]=4 1358 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,2,0,0,0,0|2,0,0]=4 1359 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,2,0,0,0,0|2,0,0]=4 1360 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,2,0,0,0,0|2,0,0]=4 1361 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,2,0,0,0,0|2,0,0]=4 1362 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,2,0,0,0,0|2,0,0]=4 1363 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,2,0,0,0,0|2,0,0]=4 1364 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,2,0,0,0,0|2,0,0]=4 1365 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,2,0,0,0,0|2,0,0]=4 1366 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,2,0,0,0,0|2,0,0]=4 1367 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,2,0,0,0,0|2,0,0]=4 1368 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,2,0,0,0,0|2,0,0]=4 1369 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,2,0,0,0,0|2,0,0]=4 1370 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,2,0,0,0,0|2,0,0]=4 1371 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,2,0,0,0,0|2,0,0]=4 1372 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,2,0,0,0,0|2,0,0]=4 1373 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,2,0,0,0,0|2,0,0]=4 1374 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,2,0,0,0,0|2,0,0]=4 1375 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,2,0,0,0,0|2,0,0]=4 1376 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,2,0,0,0,0|2,0,0]=4 1377 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,2,0,0,0,0|2,0,0]=4 1378 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,2,0,0,0,0|2,0,0]=4 1379 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,2,0,0,0,0|2,0,0]=4 1380 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,2,0,0,0,0|2,0,0]=4 1381 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,2,0,0,0,0|2,0,0]=4 1382 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,2,0,0,0,0|2,0,0]=4 1383 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,2,0,0,0,0|2,0,0]=4 1384 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,2,0,0,0,0|2,0,0]=4 1385 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,2,0,0,0,0|2,0,0]=4 1386 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,2,0,0,0,0|1,1,0]=4 1387 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,2,0,0,0,0|1,1,0]=4 1388 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,2,0,0,0,0|1,1,0]=4 1389 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,2,0,0,0,0|1,0,0]=3 1390 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,2,0,0,0,0|1,0,0]=3 1391 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,2,0,0,0,0|2,0,0]=4 1392 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,2,0,0,0,0|2,0,0]=4 1393 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,2,0,0,0,0|2,0,0]=4 1394 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,2,0,0,0,0|2,0,0]=4 1395 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,2,0,0,0,0|2,0,0]=4 1396 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,2,0,0,0,0|2,0,0]=4 1397 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,2,0,0,0,0|2,0,0]=4 1398 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,2,0,0,0,0|2,0,0]=4 1399 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,2,0,0,0,0|2,0,0]=4 1400 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,2,0,0,0,0|2,0,0]=4 1401 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,2,0,0,0,0|2,0,0]=4 1402 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,2,0,0,0,0|2,0,0]=4 1403 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,2,0,0,0,0|2,0,0]=4 1404 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,2,0,0,0,0|2,0,0]=4 1405 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,2,0,0,0,0|2,0,0]=4 1406 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,2,0,0,0,0|2,0,0]=4 1407 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,2,0,0,0,0|2,0,0]=4 1408 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,2,0,0,0,0|2,0,0]=4 1409 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,2,0,0,0,0|2,0,0]=4 1410 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,2,0,0,0,0|2,0,0]=4 1411 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,2,0,0,0,0|2,0,0]=4 1412 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,2,0,0,0,0|2,0,0]=4 1413 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,2,0,0,0,0|2,0,0]=4 1414 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|2,0,0]=4 1415 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,2,0,0,0,0|2,0,0]=4 1416 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,2,0,0,0,0|2,0,0]=4 1417 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,2,0,0,0,0|2,0,0]=4 1418 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,2,0,0,0,0|2,0,0]=4 1419 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,2,0,0,0,0|2,0,0]=4 1420 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,2,0,0,0,0|2,0,0]=4 1421 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,2,0,0,0,0|2,0,0]=4 1422 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,2,0,0,0,0|2,0,0]=4 1423 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,2,0,0,0,0|2,0,0]=4 1424 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,2,0,0,0,0|2,0,0]=4 1425 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,2,0,0,0,0|2,0,0]=4 1426 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,2,0,0,0,0|2,0,0]=4 1427 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,2,0,0,0,0|2,0,0]=4 1428 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,2,0,0,0,0|2,0,0]=4 1429 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,2,0,0,0,0|2,0,0]=4 1430 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,2,0,0,0,0|2,0,0]=4 1431 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,2,0,0,0,0|2,0,0]=4 1432 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 1433 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 1434 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 1435 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,2,0,0,0,0|2,0,0]=4 1436 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,2,0,0,0,0|2,0,0]=4 1437 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,2,0,0,0,0|2,0,0]=4 1438 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,2,0,0,0,0|2,0,0]=4 1439 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,2,0,0,0,0|2,0,0]=4 1440 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,2,0,0,0,0|2,0,0]=4 1441 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,2,0,0,0,0|2,0,0]=4 1442 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,2,0,0,0,0|1,1,0]=4 1443 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,2,0,0,0,0|1,1,0]=4 1444 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,2,0,0,0,0|1,1,0]=4 1445 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,2,0,0,0,0|1,1,0]=4 1446 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,2,0,0,0,0|1,1,0]=4 1447 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,2,0,0,0,0|1,1,0]=4 1448 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,2,0,0,0,0|1,1,0]=4 1449 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,2,0,0,0,0|1,1,0]=4 1450 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,2,0,0,0,0|1,1,0]=4 1451 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,2,0,0,0,0|1,1,0]=4 1452 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,2,0,0,0,0|1,1,0]=4 1453 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,2,0,0,0,0|1,1,0]=4 1454 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,2,0,0,0,0|1,0,1]=4 1455 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,2,0,0,0,0|1,0,1]=4 1456 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,2,0,0,0,0|1,0,0]=3 1457 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,2,0,0,0,0|1,0,0]=3 1458 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,2,0,0,0,0|1,0,0]=3 1459 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,2,0,0,0,0|1,0,0]=3 1460 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,2,0,0,0,0|2,0,0]=4 1461 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,2,0,0,0,0|2,0,0]=4 1462 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|2,0,0]=4 1463 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|2,0,0]=4 1464 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,2,0,0,0,0|2,0,0]=4 1465 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1466 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1467 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1468 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1469 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,2,0,0,0,0|2,0,0]=4 1470 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1471 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,2,0,0,0,0|2,0,0]=4 1472 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,2,0,0,0,0|2,0,0]=4 1473 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1474 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,2,0,0,0,0|2,0,0]=4 1475 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1476 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1477 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [0,2,0,0,0,0|2,0,0]=4 1478 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [0,2,0,0,0,0|2,0,0]=4 1479 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,2,0,0,0,0|2,0,0]=4 1480 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,2,0,0,0,0|1,0,1]=4 1481 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,2,0,0,0,0|1,0,1]=4 1482 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,2,0,0,0,0|1,0,1]=4 1483 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,2,0,0,0,0|1,1,0]=4 1484 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,2,0,0,0,0|1,0,0]=3 1485 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,2,0,0,0,0|1,0,0]=3 1486 B7R0.11 CCSC(F)(F)CO 62a_100000210202_100011217949 [0,2,0,0,0,0|2,0,0]=4 1487 B7R0.11 CCSC(F)(F)CO 62a_100011217949_100000210202 [0,2,0,0,0,0|2,0,0]=4 1488 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,2,0,0,0,0|1,1,0]=4 1489 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,2,0,0,0,0|1,1,0]=4 1490 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,2,0,0,0,0|1,1,0]=4 1491 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,2,0,0,0,0|1,1,0]=4 1492 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [0,2,0,0,0,0|2,0,0]=4 1493 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [0,2,0,0,0,0|2,0,0]=4 1494 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,2,0,0,0,0|2,0,0]=4 1495 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,2,0,0,0,0|2,0,0]=4 1496 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,2,0,0,0,0|2,0,0]=4 1497 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,2,0,0,0,0|2,0,0]=4 1498 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,2,0,0,0,0|2,0,0]=4 1499 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,2,0,0,0,0|2,0,0]=4 1500 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,2,0,0,0,0|2,0,0]=4 1501 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,2,0,0,0,0|2,0,0]=4 1502 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,2,0,0,0,0|2,0,0]=4 1503 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,2,0,0,0,0|2,0,0]=4 1504 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,2,0,0,0,0|2,0,0]=4 1505 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,2,0,0,0,0|2,0,0]=4 1506 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [0,2,0,0,0,0|2,0,0]=4 1507 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [0,2,0,0,0,0|2,0,0]=4 1508 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [0,2,0,0,0,0|2,0,0]=4 1509 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [0,2,0,0,0,0|2,0,0]=4 1510 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [0,2,0,0,0,0|2,0,0]=4 1511 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [0,2,0,0,0,0|2,0,0]=4 1512 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,2,0,0,0,0|2,0,0]=4 1513 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,2,0,0,0,0|2,0,0]=4 1514 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,2,0,0,0,0|2,0,0]=4 1515 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,2,0,0,0,0|1,1,0]=4 1516 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,2,0,0,0,0|1,0,0]=3 1517 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,2,0,0,0,0|1,0,0]=3 1518 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [0,2,0,0,0,0|1,0,1]=4 1519 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [0,2,0,0,0,0|1,0,1]=4 1520 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [0,2,0,0,0,0|1,0,1]=4 1521 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [0,2,0,0,0,0|1,0,1]=4 1522 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [0,2,0,0,0,0|1,0,1]=4 1523 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,2,0,0,0,0|1,0,1]=4 1524 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,2,0,0,0,0|1,0,1]=4 1525 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,2,0,0,0,0|2,0,0]=4 1526 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,2,0,0,0,0|1,1,0]=4 1527 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,2,0,0,0,0|1,1,0]=4 1528 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,2,0,0,0,0|1,0,0]=3 1529 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,2,0,0,0,0|1,0,0]=3 1530 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,2,0,0,0,0|2,0,0]=4 1531 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,2,0,0,0,0|2,0,0]=4 1532 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,2,0,0,0,0|1,1,0]=4 1533 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,2,0,0,0,0|1,1,0]=4 1534 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,2,0,0,0,0|1,0,0]=3 1535 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,2,0,0,0,0|1,0,0]=3 1536 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,2,0,0,0,0|1,0,1]=4 1537 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,2,0,0,0,0|1,0,1]=4 1538 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,2,0,0,0,0|1,0,1]=4 1539 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,2,0,0,0,0|1,0,1]=4 1540 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,2,0,0,0,0|1,0,1]=4 1541 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,2,0,0,0,0|1,0,1]=4 1542 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,2,0,0,0,0|1,0,1]=4 1543 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,2,0,0,0,0|1,0,1]=4 1544 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,2,0,0,0,0|1,0,1]=4 1545 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,2,0,0,0,0|1,0,1]=4 1546 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,2,0,0,0,0|1,0,1]=4 1547 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,2,0,0,0,0|1,0,1]=4 1548 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,2,0,0,0,0|1,0,1]=4 1549 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,2,0,0,0,0|1,0,1]=4 1550 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,2,0,0,0,0|1,0,1]=4 1551 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,2,0,0,0,0|1,0,1]=4 1552 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,2,0,0,0,0|1,0,1]=4 1553 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,2,0,0,0,0|1,0,1]=4 1554 B7R0.4 CC#CCSC(C)C 62a_100000210206_100000748600 [0,2,0,0,0,0|1,0,1]=4 1555 B7R0.4 CC#CCSC(C)C 62a_100000748600_100000210206 [0,2,0,0,0,0|1,0,1]=4 1556 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,2,0,0,0,0|2,0,0]=4 1557 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,2,0,0,0,0|2,0,0]=4 1558 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [0,2,0,0,0,0|1,1,0]=4 1559 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,2,0,0,0,0|1,1,0]=4 1560 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,2,0,0,0,0|2,0,0]=4 1561 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,2,0,0,0,0|2,0,0]=4 1562 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,2,0,0,0,0|2,0,0]=4 1563 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,2,0,0,0,0|2,0,0]=4 1564 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,2,0,0,0,0|2,0,0]=4 1565 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,2,0,0,0,0|2,0,0]=4 1566 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,2,0,0,0,0|2,0,0]=4 1567 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,2,0,0,0,0|2,0,0]=4 1568 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,2,0,0,0,0|2,0,0]=4 1569 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,2,0,0,0,0|2,0,0]=4 1570 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,2,0,0,0,0|2,0,0]=4 1571 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,2,0,0,0,0|2,0,0]=4 1572 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,2,0,0,0,0|2,0,0]=4 1573 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,2,0,0,0,0|2,0,0]=4 1574 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,2,0,0,0,0|2,0,0]=4 1575 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,2,0,0,0,0|2,0,0]=4 1576 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,2,0,0,0,0|1,1,0]=4 1577 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,2,0,0,0,0|1,1,0]=4 1578 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,2,0,0,0,0|1,1,0]=4 1579 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,2,0,0,0,0|1,1,0]=4 1580 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [0,2,0,0,0,0|1,0,1]=4 1581 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [0,2,0,0,0,0|1,0,1]=4 1582 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,2,0,0,0,0|1,0,1]=4 1583 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,2,0,0,0,0|1,0,1]=4 1584 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,2,0,0,0,0|1,0,0]=3 1585 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,2,0,0,0,0|1,0,0]=3 1586 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,2,0,0,0,0|1,0,0]=3 1587 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,2,0,0,0,0|1,0,0]=3 1588 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,2,0,0,0,0|2,0,0]=4 1589 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,2,0,0,0,0|2,0,0]=4 1590 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,2,0,0,0,0|2,0,0]=4 1591 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,2,0,0,0,0|2,0,0]=4 1592 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,2,0,0,0,0|2,0,0]=4 1593 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,2,0,0,0,0|2,0,0]=4 1594 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,2,0,0,0,0|2,0,0]=4 1595 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,2,0,0,0,0|1,1,0]=4 1596 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,2,0,0,0,0|1,1,0]=4 1597 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,2,0,0,0,0|1,1,0]=4 1598 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,2,0,0,0,0|1,1,0]=4 1599 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,2,0,0,0,0|1,1,0]=4 1600 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,2,0,0,0,0|1,1,0]=4 1601 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,2,0,0,0,0|1,1,0]=4 1602 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,2,0,0,0,0|1,1,0]=4 1603 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,2,0,0,0,0|1,1,0]=4 1604 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,2,0,0,0,0|1,1,0]=4 1605 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,2,0,0,0,0|1,1,0]=4 1606 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,2,0,0,0,0|1,1,0]=4 1607 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [0,2,0,0,0,0|1,1,0]=4 1608 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [0,2,0,0,0,0|1,1,0]=4 1609 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [0,2,0,0,0,0|1,0,1]=4 1610 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [0,2,0,0,0,0|1,0,1]=4 1611 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,2,0,0,0,0|1,0,0]=3 1612 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,2,0,0,0,0|1,0,0]=3 1613 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,2,0,0,0,0|1,0,0]=3 1614 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,2,0,0,0,0|1,0,0]=3 1615 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,2,0,0,0,0|1,0,0]=3 1616 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,2,0,0,0,0|1,0,0]=3 1617 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,2,0,0,0,0|1,0,0]=3 1618 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,2,0,0,0,0|1,0,0]=3 1619 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,2,0,0,0,0|1,0,0]=3 1620 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,2,0,0,0,0|1,0,0]=3 1621 B7R0.4 CC(C)SCSC#N 62a_100000210206_100000211825 [0,2,0,0,0,0|1,0,1]=4 1622 B7R0.4 CC(C)SCSC#N 62a_100000211825_100000210206 [0,2,0,0,0,0|1,0,1]=4 1623 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [0,2,0,0,0,0|1,1,0]=4 1624 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,2,0,0,0,0|1,1,0]=4 1625 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,2,0,0,0,0|2,0,0]=4 1626 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,2,0,0,0,0|2,0,0]=4 1627 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,2,0,0,0,0|2,0,0]=4 1628 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,2,0,0,0,0|2,0,0]=4 1629 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,2,0,0,0,0|2,0,0]=4 1630 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,2,0,0,0,0|2,0,0]=4 1631 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,2,0,0,0,0|2,0,0]=4 1632 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,2,0,0,0,0|2,0,0]=4 1633 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,2,0,0,0,0|2,0,0]=4 1634 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|2,0,0]=4 1635 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,2,0,0,0,0|2,0,0]=4 1636 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,2,0,0,0,0|1,1,0]=4 1637 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,2,0,0,0,0|1,1,0]=4 1638 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [0,2,0,0,0,0|1,0,1]=4 1639 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [0,2,0,0,0,0|1,0,1]=4 1640 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,2,0,0,0,0|1,0,1]=4 1641 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,2,0,0,0,0|1,0,1]=4 1642 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,2,0,0,0,0|1,0,0]=3 1643 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,2,0,0,0,0|1,0,0]=3 1644 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,2,0,0,0,0|1,0,0]=3 1645 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,2,0,0,0,0|1,0,0]=3 1646 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|2,0,0]=4 1647 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|2,0,0]=4 1648 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|2,0,0]=4 1649 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 1650 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 1651 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,2,0,0,0,0|1,0,1]=4 1652 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,2,0,0,0,0|1,0,1]=4 1653 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,2,0,0,0,0|2,0,0]=4 1654 B7R0.4 CCC#CCN(C)C 2230a_100102631434_100009813939 [0,2,0,0,0,0|2,0,0]=4 1655 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [0,2,0,0,0,0|2,0,0]=4 1656 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,2,0,0,0,0|2,0,0]=4 1657 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,2,0,0,0,0|2,0,0]=4 1658 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,2,0,0,0,0|2,0,0]=4 1659 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,2,0,0,0,0|2,0,0]=4 1660 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,2,0,0,0,0|2,0,0]=4 1661 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,2,0,0,0,0|2,0,0]=4 1662 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,2,0,0,0,0|2,0,0]=4 1663 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,2,0,0,0,0|2,0,0]=4 1664 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,2,0,0,0,0|2,0,0]=4 1665 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,2,0,0,0,0|2,0,0]=4 1666 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,2,0,0,0,0|2,0,0]=4 1667 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,2,0,0,0,0|2,0,0]=4 1668 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,2,0,0,0,0|2,0,0]=4 1669 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,2,0,0,0,0|1,1,0]=4 1670 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,2,0,0,0,0|1,1,0]=4 1671 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,2,0,0,0,0|1,1,0]=4 1672 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,2,0,0,0,0|1,0,0]=3 1673 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,2,0,0,0,0|1,0,0]=3 1674 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,2,0,0,0,0|2,0,0]=4 1675 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,2,0,0,0,0|2,0,0]=4 1676 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,2,0,0,0,0|2,0,0]=4 1677 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,2,0,0,0,0|2,0,0]=4 1678 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,2,0,0,0,0|2,0,0]=4 1679 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,2,0,0,0,0|2,0,0]=4 1680 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,2,0,0,0,0|1,1,0]=4 1681 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,2,0,0,0,0|1,1,0]=4 1682 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,2,0,0,0,0|1,1,0]=4 1683 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,2,0,0,0,0|1,1,0]=4 1684 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,2,0,0,0,0|1,1,0]=4 1685 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,2,0,0,0,0|1,1,0]=4 1686 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,2,0,0,0,0|1,1,0]=4 1687 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,2,0,0,0,0|1,1,0]=4 1688 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,2,0,0,0,0|1,1,0]=4 1689 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,2,0,0,0,0|1,1,0]=4 1690 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,2,0,0,0,0|1,1,0]=4 1691 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,2,0,0,0,0|1,1,0]=4 1692 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,2,0,0,0,0|1,1,0]=4 1693 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,2,0,0,0,0|1,0,0]=3 1694 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,2,0,0,0,0|1,0,1]=4 1695 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,2,0,0,0,0|1,0,1]=4 1696 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,2,0,0,0,0|1,0,0]=3 1697 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,2,0,0,0,0|1,0,1]=4 1698 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,2,0,0,0,0|1,0,1]=4 1699 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,2,0,0,0,0|1,0,0]=3 1700 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,2,0,0,0,0|1,0,0]=3 1701 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,2,0,0,0,0|1,0,0]=3 1702 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,2,0,0,0,0|1,0,0]=3 1703 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,2,0,0,0,0|1,0,0]=3 1704 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,2,0,0,0,0|1,0,0]=3 1705 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,2,0,0,0,0|1,0,0]=3 1706 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,2,0,0,0,0|1,0,0]=3 1707 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,2,0,0,0,0|2,0,0]=4 1708 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,2,0,0,0,0|2,0,0]=4 1709 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,2,0,0,0,0|2,0,0]=4 1710 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,2,0,0,0,0|2,0,0]=4 1711 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,2,0,0,0,0|2,0,0]=4 1712 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,2,0,0,0,0|1,1,0]=4 1713 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [0,2,0,0,0,0|2,0,0]=4 1714 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,2,0,0,0,0|1,1,0]=4 1715 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,2,0,0,0,0|1,1,0]=4 1716 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,2,0,0,0,0|1,1,0]=4 1717 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,2,0,0,0,0|1,1,0]=4 1718 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,2,0,0,0,0|1,1,0]=4 1719 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,2,0,0,0,0|1,1,0]=4 1720 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,2,0,0,0,0|1,1,0]=4 1721 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,2,0,0,0,0|1,1,0]=4 1722 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,2,0,0,0,0|1,1,0]=4 1723 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,2,0,0,0,0|1,1,0]=4 1724 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,2,0,0,0,0|1,1,0]=4 1725 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,2,0,0,0,0|1,1,0]=4 1726 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,2,0,0,0,0|1,1,0]=4 1727 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,2,0,0,0,0|1,1,0]=4 1728 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,2,0,0,0,0|0,2,0]=4 1729 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,2,0,0,0,0|0,1,0]=3 1730 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,2,0,0,0,0|0,1,0]=3 1731 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,2,0,0,0,0|1,0,1]=4 1732 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,2,0,0,0,0|1,0,1]=4 1733 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,2,0,0,0,0|1,0,0]=3 1734 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,2,0,0,0,0|1,0,0]=3 1735 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,2,0,0,0,0|1,0,0]=3 1736 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,2,0,0,0,0|1,0,0]=3 1737 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,2,0,0,0,0|1,0,1]=4 1738 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,2,0,0,0,0|1,0,1]=4 1739 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,2,0,0,0,0|1,0,0]=3 1740 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,2,0,0,0,0|1,0,0]=3 1741 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,2,0,0,0,0|1,0,0]=3 1742 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,2,0,0,0,0|1,0,0]=3 1743 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,2,0,0,0,0|1,0,0]=3 1744 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,2,0,0,0,0|1,0,0]=3 1745 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,2,0,0,0,0|1,0,0]=3 1746 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,2,0,0,0,0|1,0,0]=3 1747 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,2,0,0,0,0|0,1,1]=4 1748 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,2,0,0,0,0|0,1,1]=4 1749 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,2,0,0,0,0|0,1,0]=3 1750 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,2,0,0,0,0|0,1,0]=3 1751 B7R0.4 CN(C)CCSCF 62a_100015361967_100000755713 [0,2,0,0,0,0|2,0,0]=4 1752 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,2,0,0,0,0|2,0,0]=4 1753 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,2,0,0,0,0|2,0,0]=4 1754 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,2,0,0,0,0|2,0,0]=4 1755 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,2,0,0,0,0|2,0,0]=4 1756 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,2,0,0,0,0|2,0,0]=4 1757 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,2,0,0,0,0|2,0,0]=4 1758 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,2,0,0,0,0|2,0,0]=4 1759 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,2,0,0,0,0|2,0,0]=4 1760 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,2,0,0,0,0|1,1,0]=4 1761 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,2,0,0,0,0|1,1,0]=4 1762 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,2,0,0,0,0|1,1,0]=4 1763 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,2,0,0,0,0|1,1,0]=4 1764 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,2,0,0,0,0|1,1,0]=4 1765 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,2,0,0,0,0|1,0,0]=3 1766 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,2,0,0,0,0|1,0,0]=3 1767 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,2,0,0,0,0|1,0,0]=3 1768 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,2,0,0,0,0|1,0,0]=3 1769 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,2,0,0,0,0|1,0,0]=3 1770 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,2,0,0,0,0|2,0,0]=4 1771 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,2,0,0,0,0|2,0,0]=4 1772 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,2,0,0,0,0|2,0,0]=4 1773 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,2,0,0,0,0|2,0,0]=4 1774 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,2,0,0,0,0|2,0,0]=4 1775 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,2,0,0,0,0|2,0,0]=4 1776 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,2,0,0,0,0|2,0,0]=4 1777 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,2,0,0,0,0|2,0,0]=4 1778 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,2,0,0,0,0|1,1,0]=4 1779 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,2,0,0,0,0|1,1,0]=4 1780 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,2,0,0,0,0|1,1,0]=4 1781 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,2,0,0,0,0|1,1,0]=4 1782 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,2,0,0,0,0|1,1,0]=4 1783 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,2,0,0,0,0|1,0,0]=3 1784 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,2,0,0,0,0|1,0,0]=3 1785 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,2,0,0,0,0|1,0,0]=3 1786 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,2,0,0,0,0|1,0,0]=3 1787 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,2,0,0,0,0|1,0,0]=3 1788 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,2,0,0,0,0|2,0,0]=4 1789 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,2,0,0,0,0|2,0,0]=4 1790 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,2,0,0,0,0|1,0,0]=3 1791 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,2,0,0,0,0|1,0,0]=3 1792 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,2,0,0,0,0|1,0,0]=3 1793 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,2,0,0,0,0|1,0,0]=3 1794 B7R0.4 COCSCC(F)F 62a_100000766300_100011934356 [0,2,0,0,0,0|2,0,0]=4 1795 B7R0.4 COCSCC(F)F 62a_100011934356_100000766300 [0,2,0,0,0,0|2,0,0]=4 1796 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,2,0,0,0,0|1,0,0]=3 1797 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,2,0,0,0,0|1,0,0]=3 1798 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,2,0,0,0,0|2,0,0]=4 1799 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,2,0,0,0,0|2,0,0]=4 1800 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,2,0,0,0,0|2,0,0]=4 1801 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,2,0,0,0,0|2,0,0]=4 1802 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,2,0,0,0,0|2,0,0]=4 1803 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,2,0,0,0,0|2,0,0]=4 1804 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,2,0,0,0,0|2,0,0]=4 1805 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,2,0,0,0,0|1,1,0]=4 1806 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,2,0,0,0,0|1,1,0]=4 1807 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,2,0,0,0,0|1,1,0]=4 1808 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,2,0,0,0,0|1,1,0]=4 1809 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,2,0,0,0,0|1,1,0]=4 1810 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,2,0,0,0,0|1,0,0]=3 1811 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,2,0,0,0,0|1,0,0]=3 1812 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,2,0,0,0,0|1,0,0]=3 1813 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,2,0,0,0,0|1,0,0]=3 1814 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,2,0,0,0,0|2,0,0]=4 1815 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,2,0,0,0,0|2,0,0]=4 1816 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,2,0,0,0,0|2,0,0]=4 1817 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,2,0,0,0,0|2,0,0]=4 1818 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [0,2,0,0,0,0|1,1,0]=4 1819 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,2,0,0,0,0|1,1,0]=4 1820 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [0,2,0,0,0,0|1,1,0]=4 1821 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,2,0,0,0,0|1,1,0]=4 1822 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [0,2,0,0,0,0|1,1,0]=4 1823 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,2,0,0,0,0|1,0,0]=3 1824 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,2,0,0,0,0|1,0,0]=3 1825 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,2,0,0,0,0|1,0,0]=3 1826 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,2,0,0,0,0|1,0,0]=3 1827 B7R0.4 CSCSCC(F)F 62a_100011218213_100011934356 [0,2,0,0,0,0|2,0,0]=4 1828 B7R0.4 CSCSCC(F)F 62a_100011934356_100011218213 [0,2,0,0,0,0|2,0,0]=4 1829 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,2,0,0,0,0|1,0,0]=3 1830 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,2,0,0,0,0|1,0,0]=3 1831 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [0,2,0,0,0,0|1,1,0]=4 1832 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,2,0,0,0,0|1,1,0]=4 1833 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [0,2,0,0,0,0|1,1,0]=4 1834 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,2,0,0,0,0|1,1,0]=4 1835 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,2,0,0,0,0|2,0,0]=4 1836 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,2,0,0,0,0|2,0,0]=4 1837 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,2,0,0,0,0|2,0,0]=4 1838 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,2,0,0,0,0|1,1,0]=4 1839 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,2,0,0,0,0|1,1,0]=4 1840 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [0,2,0,0,0,0|1,0,1]=4 1841 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [0,2,0,0,0,0|1,0,1]=4 1842 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,2,0,0,0,0|1,0,1]=4 1843 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,2,0,0,0,0|1,0,1]=4 1844 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,2,0,0,0,0|1,0,0]=3 1845 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,2,0,0,0,0|1,0,0]=3 1846 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,2,0,0,0,0|1,0,0]=3 1847 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,2,0,0,0,0|1,0,0]=3 1848 B7R0.4 FCCSCC(F)F 62a_100011217306_100011934356 [0,2,0,0,0,0|2,0,0]=4 1849 B7R0.4 FCCSCC(F)F 62a_100011934356_100011217306 [0,2,0,0,0,0|2,0,0]=4 1850 B7R0.4 OCCSCC(F)F 62a_100000211926_100011934356 [0,2,0,0,0,0|2,0,0]=4 1851 B7R0.4 OCCSCC(F)F 62a_100011934356_100000211926 [0,2,0,0,0,0|2,0,0]=4 1852 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,2,0,0,0,0|1,0,1]=4 1853 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,2,0,0,0,0|1,0,1]=4 1854 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,2,0,0,0,0|1,0,1]=4 1855 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,2,0,0,0,0|1,1,0]=4 1856 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,2,0,0,0,0|2,0,0]=4 1857 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,2,0,0,0,0|2,0,0]=4 1858 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,2,0,0,0,0|2,0,0]=4 1859 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,2,0,0,0,0|2,0,0]=4 1860 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,2,0,0,0,0|1,1,0]=4 1861 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,2,0,0,0,0|1,1,0]=4 1862 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,2,0,0,0,0|1,0,0]=3 1863 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,2,0,0,0,0|1,0,0]=3 1864 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,2,0,0,0,0|2,0,0]=4 1865 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,2,0,0,0,0|2,0,0]=4 1866 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,2,0,0,0,0|1,1,0]=4 1867 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,2,0,0,0,0|1,1,0]=4 1868 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,2,0,0,0,0|1,1,0]=4 1869 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,2,0,0,0,0|1,0,1]=4 1870 B7R0.6 CC(C)SCC(F)F 62a_100000210206_100011934356 [0,2,0,0,0,0|2,0,0]=4 1871 B7R0.6 CC(C)SCC(F)F 62a_100011934356_100000210206 [0,2,0,0,0,0|2,0,0]=4 1872 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,2,0,0,0,0|1,0,0]=3 1873 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,2,0,0,0,0|1,0,0]=3 1874 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,2,0,0,0,0|1,1,0]=4 1875 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,2,0,0,0,0|2,0,0]=4 1876 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,2,0,0,0,0|2,0,0]=4 1877 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,2,0,0,0,0|2,0,0]=4 1878 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,2,0,0,0,0|2,0,0]=4 1879 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,2,0,0,0,0|1,1,0]=4 1880 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,2,0,0,0,0|1,0,0]=3 1881 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,2,0,0,0,0|1,0,0]=3 1882 B7R0.8 CC(C)(C)CSCF 62a_100011219605_100015361967 [0,2,0,0,0,0|2,0,0]=4 1883 B7R0.8 CC(C)(C)CSCF 62a_100015361967_100011219605 [0,2,0,0,0,0|2,0,0]=4 1884 B7R0.8 CC(C)(C)SCCF 62a_100000211941_100011217306 [0,2,0,0,0,0|2,0,0]=4 1885 B7R0.8 CC(C)(C)SCCF 62a_100011217306_100000211941 [0,2,0,0,0,0|2,0,0]=4 1886 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [0,2,0,0,0,0|2,0,0]=4 1887 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [0,2,0,0,0,0|2,0,0]=4 1888 B7R0.8 CC(C)(F)CSCF 62a_100011997219_100015361967 [0,2,0,0,0,0|2,0,0]=4 1889 B7R0.8 CC(C)(F)CSCF 62a_100015361967_100011997219 [0,2,0,0,0,0|2,0,0]=4 1890 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [0,2,0,0,0,0|2,0,0]=4 1891 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [0,2,0,0,0,0|2,0,0]=4 1892 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [0,2,0,0,0,0|2,0,0]=4 1893 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [0,2,0,0,0,0|1,1,0]=4 1894 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [0,2,0,0,0,0|1,1,0]=4 1895 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [0,2,0,0,0,0|1,1,0]=4 1896 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [0,2,0,0,0,0|1,0,0]=3 1897 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [0,2,0,0,0,0|1,0,0]=3 1898 B7R0.8 CCCSC(F)(F)F 62a_100000210303_200103152311 [0,2,0,0,0,0|2,0,0]=4 1899 B7R0.8 CCCSC(F)(F)F 62a_200000243211_100000210303 [0,2,0,0,0,0|2,0,0]=4 1900 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [0,2,0,0,0,0|2,0,0]=4 1901 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [0,2,0,0,0,0|2,0,0]=4 1902 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [0,2,0,0,0,0|2,0,0]=4 1903 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [0,2,0,0,0,0|2,0,0]=4 1904 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [0,2,0,0,0,0|1,1,0]=4 1905 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [0,2,0,0,0,0|1,1,0]=4 1906 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [0,2,0,0,0,0|1,1,0]=4 1907 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [0,2,0,0,0,0|1,1,0]=4 1908 B7R0.8 CCOCC(C)(F)F 34a_100000068830_100000210202 [0,2,0,0,0,0|1,1,0]=4 1909 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [0,2,0,0,0,0|1,0,0]=3 1910 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [0,2,0,0,0,0|1,0,0]=3 1911 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [0,2,0,0,0,0|1,0,0]=3 1912 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [0,2,0,0,0,0|1,0,0]=3 1913 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [0,2,0,0,0,0|1,0,0]=3 1914 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [0,2,0,0,0,0|1,0,0]=3 1915 B7R0.8 CCSCC(F)(F)F 62a_100000210202_100000763148 [0,2,0,0,0,0|2,0,0]=4 1916 B7R0.8 CCSCC(F)(F)F 62a_100000763148_100000210202 [0,2,0,0,0,0|2,0,0]=4 1917 B7R0.8 CCSC[N+](C)(C)C 62a_100000210202_200000036245 [0,2,0,0,0,0|2,0,0]=4 1918 B7R0.8 CCSC[N+](C)(C)C 62a_200000036245_100000210202 [0,2,0,0,0,0|2,0,0]=4 1919 B7R0.8 CCSC[Si](C)(C)C 62a_100000037933_100000210202 [0,2,0,0,0,0|1,1,0]=4 1920 B7R0.8 CCSC[Si](C)(C)C 62a_100000210202_100000037933 [0,2,0,0,0,0|1,1,0]=4 1921 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [0,2,0,0,0,0|2,0,0]=4 1922 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [0,2,0,0,0,0|2,0,0]=4 1923 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [0,2,0,0,0,0|2,0,0]=4 1924 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [0,2,0,0,0,0|2,0,0]=4 1925 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [0,2,0,0,0,0|2,0,0]=4 1926 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [0,2,0,0,0,0|2,0,0]=4 1927 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,2,0,0,0,0|1,1,0]=4 1928 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,2,0,0,0,0|1,1,0]=4 1929 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,2,0,0,0,0|1,1,0]=4 1930 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,2,0,0,0,0|1,0,0]=3 1931 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,2,0,0,0,0|1,0,0]=3 1932 B7R0.1 C#CCCCSCF 62a_100011215417_100015361967 [0,2,0,0,0,0|2,0,0]=4 1933 B7R0.1 C#CCCCSCF 62a_100015361967_100011215417 [0,2,0,0,0,0|2,0,0]=4 1934 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,2,0,0,0,0|2,0,0]=4 1935 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,2,0,0,0,0|1,1,0]=4 1936 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,2,0,0,0,0|1,1,0]=4 1937 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,2,0,0,0,0|1,0,0]=3 1938 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,2,0,0,0,0|1,0,0]=3 1939 B7R0.1 C#CCCSCCF 62a_100000688953_100011217306 [0,2,0,0,0,0|1,0,1]=4 1940 B7R0.1 C#CCCSCCF 62a_100011217306_100000688953 [0,2,0,0,0,0|1,0,1]=4 1941 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,2,0,0,0,0|1,0,1]=4 1942 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,2,0,0,0,0|1,0,1]=4 1943 B7R0.1 C#CCCSCOC 62a_100000688953_100000766300 [0,2,0,0,0,0|1,0,1]=4 1944 B7R0.1 C#CCCSCOC 62a_100000766300_100000688953 [0,2,0,0,0,0|1,0,1]=4 1945 B7R0.1 C#CCCSCSC 62a_100000688953_100011218213 [0,2,0,0,0,0|1,0,1]=4 1946 B7R0.1 C#CCCSCSC 62a_100011218213_100000688953 [0,2,0,0,0,0|1,0,1]=4 1947 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,2,0,0,0,0|1,0,1]=4 1948 B7R0.1 C#CCSCCCF 62a_100000038162_100011934791 [0,2,0,0,0,0|1,0,1]=4 1949 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,2,0,0,0,0|1,0,1]=4 1950 B7R0.1 C#CCSCCOC 62a_100000038162_100000233755 [0,2,0,0,0,0|1,0,1]=4 1951 B7R0.1 C#CCSCCSC 62a_100000038162_100000751147 [0,2,0,0,0,0|1,0,1]=4 1952 B7R0.1 C#CCSCOCC 62a_100000038162_100000739092 [0,2,0,0,0,0|0,1,1]=4 1953 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,2,0,0,0,0|1,1,0]=4 1954 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,2,0,0,0,0|1,1,0]=4 1955 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,2,0,0,0,0|1,1,0]=4 1956 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,2,0,0,0,0|1,0,0]=3 1957 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,2,0,0,0,0|1,0,0]=3 1958 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [0,2,0,0,0,0|1,0,1]=4 1959 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [0,2,0,0,0,0|1,0,1]=4 1960 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,2,0,0,0,0|1,0,1]=4 1961 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,2,0,0,0,0|1,0,1]=4 1962 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [0,2,0,0,0,0|1,0,1]=4 1963 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [0,2,0,0,0,0|1,0,1]=4 1964 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,2,0,0,0,0|1,0,1]=4 1965 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,2,0,0,0,0|1,0,1]=4 1966 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,2,0,0,0,0|2,0,0]=4 1967 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,2,0,0,0,0|2,0,0]=4 1968 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,2,0,0,0,0|2,0,0]=4 1969 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,2,0,0,0,0|1,1,0]=4 1970 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,2,0,0,0,0|1,1,0]=4 1971 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,2,0,0,0,0|1,1,0]=4 1972 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,2,0,0,0,0|1,0,0]=3 1973 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,2,0,0,0,0|1,0,0]=3 1974 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,2,0,0,0,0|2,0,0]=4 1975 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,2,0,0,0,0|2,0,0]=4 1976 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,2,0,0,0,0|2,0,0]=4 1977 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,2,0,0,0,0|1,1,0]=4 1978 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,2,0,0,0,0|1,1,0]=4 1979 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,2,0,0,0,0|1,0,0]=3 1980 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,2,0,0,0,0|1,0,0]=3 1981 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,2,0,0,0,0|1,0,1]=4 1982 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,2,0,0,0,0|1,0,1]=4 1983 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,2,0,0,0,0|1,0,1]=4 1984 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,2,0,0,0,0|1,0,1]=4 1985 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,2,0,0,0,0|1,0,1]=4 1986 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,2,0,0,0,0|1,0,1]=4 1987 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,2,0,0,0,0|1,0,1]=4 1988 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,2,0,0,0,0|1,0,1]=4 1989 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,2,0,0,0,0|1,0,1]=4 1990 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,2,0,0,0,0|1,0,1]=4 1991 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,2,0,0,0,0|1,0,1]=4 1992 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,2,0,0,0,0|1,0,1]=4 1993 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,2,0,0,0,0|1,0,1]=4 1994 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,2,0,0,0,0|1,0,1]=4 1995 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,2,0,0,0,0|1,0,1]=4 1996 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,2,0,0,0,0|1,0,1]=4 1997 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,2,0,0,0,0|1,0,1]=4 1998 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,2,0,0,0,0|1,0,1]=4 1999 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,2,0,0,0,0|0,1,1]=4 2000 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,2,0,0,0,0|0,1,1]=4 2001 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,2,0,0,0,0|1,0,1]=4 2002 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,2,0,0,0,0|1,0,1]=4 2003 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [0,2,0,0,0,0|1,1,0]=4 2004 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,2,0,0,0,0|2,0,0]=4 2005 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,2,0,0,0,0|2,0,0]=4 2006 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [0,2,0,0,0,0|1,1,0]=4 2007 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [0,2,0,0,0,0|1,1,0]=4 2008 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [0,2,0,0,0,0|1,0,0]=3 2009 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [0,2,0,0,0,0|1,0,0]=3 2010 B7R0.1 CC#CCSCCF 62a_100000748600_100011217306 [0,2,0,0,0,0|1,0,1]=4 2011 B7R0.1 CC#CCSCCF 62a_100011217306_100000748600 [0,2,0,0,0,0|1,0,1]=4 2012 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [0,2,0,0,0,0|1,0,1]=4 2013 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [0,2,0,0,0,0|1,0,1]=4 2014 B7R0.1 CC#CCSCOC 62a_100000748600_100000766300 [0,2,0,0,0,0|1,0,1]=4 2015 B7R0.1 CC#CCSCOC 62a_100000766300_100000748600 [0,2,0,0,0,0|1,0,1]=4 2016 B7R0.1 CC#CCSCSC 62a_100000748600_100011218213 [0,2,0,0,0,0|1,0,1]=4 2017 B7R0.1 CC#CCSCSC 62a_100011218213_100000748600 [0,2,0,0,0,0|1,0,1]=4 2018 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,2,0,0,0,0|2,0,0]=4 2019 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,2,0,0,0,0|2,0,0]=4 2020 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,2,0,0,0,0|2,0,0]=4 2021 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,2,0,0,0,0|2,0,0]=4 2022 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,2,0,0,0,0|2,0,0]=4 2023 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,2,0,0,0,0|2,0,0]=4 2024 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,2,0,0,0,0|2,0,0]=4 2025 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,2,0,0,0,0|2,0,0]=4 2026 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,2,0,0,0,0|2,0,0]=4 2027 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,2,0,0,0,0|2,0,0]=4 2028 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,2,0,0,0,0|2,0,0]=4 2029 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,2,0,0,0,0|2,0,0]=4 2030 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [0,2,0,0,0,0|2,0,0]=4 2031 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,2,0,0,0,0|1,1,0]=4 2032 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,2,0,0,0,0|1,1,0]=4 2033 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [0,2,0,0,0,0|2,0,0]=4 2034 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [0,2,0,0,0,0|1,0,0]=3 2035 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [0,2,0,0,0,0|1,0,0]=3 2036 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [0,2,0,0,0,0|2,0,0]=4 2037 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [0,2,0,0,0,0|2,0,0]=4 2038 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,2,0,0,0,0|1,1,0]=4 2039 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,2,0,0,0,0|1,0,0]=3 2040 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,2,0,0,0,0|1,0,0]=3 2041 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [0,2,0,0,0,0|1,0,1]=4 2042 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [0,2,0,0,0,0|1,0,1]=4 2043 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,2,0,0,0,0|1,0,1]=4 2044 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,2,0,0,0,0|1,0,1]=4 2045 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [0,2,0,0,0,0|1,0,1]=4 2046 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [0,2,0,0,0,0|1,0,1]=4 2047 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,2,0,0,0,0|1,0,1]=4 2048 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,2,0,0,0,0|1,0,1]=4 2049 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [0,2,0,0,0,0|2,0,0]=4 2050 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [0,2,0,0,0,0|2,0,0]=4 2051 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [0,2,0,0,0,0|2,0,0]=4 2052 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [0,2,0,0,0,0|2,0,0]=4 2053 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [0,2,0,0,0,0|2,0,0]=4 2054 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [0,2,0,0,0,0|1,1,0]=4 2055 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [0,2,0,0,0,0|1,1,0]=4 2056 B7R0.1 CCC#CCOCF 34a_100000032950_100015361967 [0,2,0,0,0,0|2,0,0]=4 2057 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [0,2,0,0,0,0|1,0,0]=3 2058 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [0,2,0,0,0,0|1,0,0]=3 2059 B7R0.1 CCC#CCSCF 62a_100009813939_100015361967 [0,2,0,0,0,0|2,0,0]=4 2060 B7R0.1 CCC#CCSCF 62a_100015361967_100009813939 [0,2,0,0,0,0|2,0,0]=4 2061 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,2,0,0,0,0|2,0,0]=4 2062 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,2,0,0,0,0|2,0,0]=4 2063 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,2,0,0,0,0|2,0,0]=4 2064 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,2,0,0,0,0|2,0,0]=4 2065 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,2,0,0,0,0|2,0,0]=4 2066 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,2,0,0,0,0|2,0,0]=4 2067 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,2,0,0,0,0|2,0,0]=4 2068 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,2,0,0,0,0|2,0,0]=4 2069 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,2,0,0,0,0|2,0,0]=4 2070 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,2,0,0,0,0|2,0,0]=4 2071 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [0,2,0,0,0,0|2,0,0]=4 2072 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,2,0,0,0,0|2,0,0]=4 2073 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,2,0,0,0,0|2,0,0]=4 2074 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,2,0,0,0,0|2,0,0]=4 2075 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,2,0,0,0,0|2,0,0]=4 2076 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,2,0,0,0,0|2,0,0]=4 2077 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,2,0,0,0,0|2,0,0]=4 2078 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,2,0,0,0,0|2,0,0]=4 2079 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,2,0,0,0,0|2,0,0]=4 2080 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,2,0,0,0,0|2,0,0]=4 2081 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,2,0,0,0,0|2,0,0]=4 2082 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,2,0,0,0,0|2,0,0]=4 2083 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,2,0,0,0,0|2,0,0]=4 2084 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,2,0,0,0,0|2,0,0]=4 2085 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,2,0,0,0,0|2,0,0]=4 2086 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,2,0,0,0,0|2,0,0]=4 2087 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,2,0,0,0,0|2,0,0]=4 2088 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,2,0,0,0,0|1,1,0]=4 2089 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,2,0,0,0,0|1,1,0]=4 2090 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,2,0,0,0,0|1,1,0]=4 2091 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,2,0,0,0,0|2,0,0]=4 2092 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,2,0,0,0,0|2,0,0]=4 2093 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,2,0,0,0,0|1,0,0]=3 2094 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,2,0,0,0,0|1,0,0]=3 2095 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,2,0,0,0,0|2,0,0]=4 2096 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,2,0,0,0,0|2,0,0]=4 2097 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,2,0,0,0,0|2,0,0]=4 2098 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,2,0,0,0,0|2,0,0]=4 2099 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,2,0,0,0,0|2,0,0]=4 2100 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,2,0,0,0,0|2,0,0]=4 2101 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,2,0,0,0,0|2,0,0]=4 2102 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,2,0,0,0,0|2,0,0]=4 2103 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,2,0,0,0,0|2,0,0]=4 2104 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,2,0,0,0,0|2,0,0]=4 2105 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,2,0,0,0,0|2,0,0]=4 2106 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,2,0,0,0,0|2,0,0]=4 2107 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,2,0,0,0,0|2,0,0]=4 2108 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,2,0,0,0,0|1,1,0]=4 2109 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,2,0,0,0,0|1,1,0]=4 2110 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,2,0,0,0,0|1,1,0]=4 2111 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,2,0,0,0,0|1,1,0]=4 2112 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,2,0,0,0,0|1,1,0]=4 2113 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,2,0,0,0,0|1,1,0]=4 2114 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,2,0,0,0,0|1,1,0]=4 2115 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,2,0,0,0,0|1,1,0]=4 2116 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,2,0,0,0,0|1,1,0]=4 2117 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,2,0,0,0,0|1,1,0]=4 2118 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,2,0,0,0,0|1,1,0]=4 2119 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,2,0,0,0,0|1,1,0]=4 2120 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,2,0,0,0,0|1,1,0]=4 2121 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,2,0,0,0,0|1,1,0]=4 2122 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,2,0,0,0,0|1,1,0]=4 2123 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,2,0,0,0,0|1,1,0]=4 2124 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,2,0,0,0,0|1,1,0]=4 2125 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,2,0,0,0,0|1,0,1]=4 2126 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,2,0,0,0,0|1,0,1]=4 2127 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,2,0,0,0,0|1,0,1]=4 2128 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,2,0,0,0,0|1,0,1]=4 2129 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,2,0,0,0,0|1,0,0]=3 2130 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,2,0,0,0,0|1,0,0]=3 2131 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,2,0,0,0,0|1,0,0]=3 2132 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,2,0,0,0,0|1,0,0]=3 2133 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,2,0,0,0,0|1,0,0]=3 2134 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,2,0,0,0,0|1,0,0]=3 2135 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,2,0,0,0,0|1,0,0]=3 2136 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,2,0,0,0,0|1,0,0]=3 2137 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,2,0,0,0,0|1,0,0]=3 2138 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,2,0,0,0,0|1,0,0]=3 2139 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,2,0,0,0,0|2,0,0]=4 2140 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,2,0,0,0,0|2,0,0]=4 2141 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,2,0,0,0,0|2,0,0]=4 2142 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,2,0,0,0,0|2,0,0]=4 2143 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,2,0,0,0,0|1,1,0]=4 2144 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,2,0,0,0,0|1,1,0]=4 2145 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,2,0,0,0,0|1,1,0]=4 2146 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,2,0,0,0,0|1,1,0]=4 2147 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,2,0,0,0,0|1,1,0]=4 2148 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,2,0,0,0,0|1,1,0]=4 2149 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,2,0,0,0,0|1,1,0]=4 2150 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,2,0,0,0,0|1,1,0]=4 2151 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,2,0,0,0,0|1,1,0]=4 2152 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,2,0,0,0,0|1,1,0]=4 2153 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,2,0,0,0,0|1,1,0]=4 2154 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,2,0,0,0,0|1,1,0]=4 2155 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,2,0,0,0,0|1,1,0]=4 2156 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,2,0,0,0,0|1,1,0]=4 2157 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,2,0,0,0,0|1,1,0]=4 2158 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,2,0,0,0,0|1,1,0]=4 2159 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,2,0,0,0,0|1,1,0]=4 2160 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,2,0,0,0,0|1,1,0]=4 2161 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,2,0,0,0,0|1,1,0]=4 2162 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,2,0,0,0,0|1,1,0]=4 2163 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,2,0,0,0,0|1,1,0]=4 2164 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,2,0,0,0,0|1,1,0]=4 2165 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,2,0,0,0,0|1,1,0]=4 2166 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,2,0,0,0,0|1,1,0]=4 2167 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,2,0,0,0,0|1,1,0]=4 2168 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,2,0,0,0,0|1,1,0]=4 2169 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,2,0,0,0,0|1,1,0]=4 2170 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,2,0,0,0,0|1,1,0]=4 2171 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,2,0,0,0,0|1,0,0]=3 2172 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,2,0,0,0,0|1,0,0]=3 2173 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,2,0,0,0,0|1,0,0]=3 2174 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,2,0,0,0,0|1,0,0]=3 2175 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,2,0,0,0,0|1,0,0]=3 2176 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,2,0,0,0,0|1,0,0]=3 2177 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,2,0,0,0,0|1,0,0]=3 2178 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,2,0,0,0,0|1,0,0]=3 2179 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,2,0,0,0,0|1,0,0]=3 2180 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,2,0,0,0,0|1,0,0]=3 2181 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,2,0,0,0,0|1,0,0]=3 2182 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,2,0,0,0,0|1,0,0]=3 2183 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,2,0,0,0,0|1,0,0]=3 2184 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,2,0,0,0,0|1,0,0]=3 2185 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,2,0,0,0,0|1,0,0]=3 2186 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,2,0,0,0,0|1,0,0]=3 2187 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,2,0,0,0,0|0,1,0]=3 2188 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,2,0,0,0,0|0,1,0]=3 2189 B7R0.1 CCCSCSC#N 62a_100000210303_100000211825 [0,2,0,0,0,0|1,0,1]=4 2190 B7R0.1 CCCSCSC#N 62a_100000211825_100000210303 [0,2,0,0,0,0|1,0,1]=4 2191 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [0,2,0,0,0,0|2,0,0]=4 2192 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,2,0,0,0,0|2,0,0]=4 2193 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,2,0,0,0,0|2,0,0]=4 2194 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,2,0,0,0,0|2,0,0]=4 2195 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,2,0,0,0,0|2,0,0]=4 2196 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,2,0,0,0,0|2,0,0]=4 2197 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,2,0,0,0,0|2,0,0]=4 2198 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,2,0,0,0,0|2,0,0]=4 2199 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,2,0,0,0,0|2,0,0]=4 2200 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,2,0,0,0,0|1,1,0]=4 2201 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,2,0,0,0,0|1,1,0]=4 2202 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,2,0,0,0,0|1,1,0]=4 2203 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,2,0,0,0,0|1,0,0]=3 2204 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,2,0,0,0,0|1,0,0]=3 2205 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,2,0,0,0,0|1,1,0]=4 2206 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,2,0,0,0,0|1,1,0]=4 2207 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,2,0,0,0,0|1,1,0]=4 2208 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,2,0,0,0,0|1,1,0]=4 2209 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,2,0,0,0,0|1,1,0]=4 2210 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,2,0,0,0,0|1,1,0]=4 2211 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,2,0,0,0,0|1,1,0]=4 2212 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,2,0,0,0,0|1,1,0]=4 2213 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,2,0,0,0,0|1,1,0]=4 2214 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,2,0,0,0,0|1,1,0]=4 2215 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,2,0,0,0,0|1,1,0]=4 2216 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,2,0,0,0,0|1,1,0]=4 2217 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,2,0,0,0,0|1,1,0]=4 2218 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,2,0,0,0,0|1,1,0]=4 2219 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,2,0,0,0,0|1,1,0]=4 2220 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,2,0,0,0,0|1,1,0]=4 2221 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,2,0,0,0,0|1,1,0]=4 2222 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,2,0,0,0,0|1,1,0]=4 2223 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,2,0,0,0,0|1,1,0]=4 2224 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,2,0,0,0,0|1,1,0]=4 2225 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,2,0,0,0,0|1,1,0]=4 2226 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,2,0,0,0,0|1,1,0]=4 2227 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,2,0,0,0,0|1,1,0]=4 2228 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,2,0,0,0,0|1,1,0]=4 2229 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,2,0,0,0,0|1,1,0]=4 2230 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,2,0,0,0,0|1,1,0]=4 2231 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,2,0,0,0,0|1,1,0]=4 2232 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,2,0,0,0,0|1,1,0]=4 2233 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,2,0,0,0,0|1,1,0]=4 2234 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,2,0,0,0,0|1,1,0]=4 2235 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,2,0,0,0,0|1,1,0]=4 2236 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,2,0,0,0,0|0,2,0]=4 2237 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,2,0,0,0,0|0,2,0]=4 2238 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,2,0,0,0,0|0,2,0]=4 2239 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [0,2,0,0,0,0|1,1,0]=4 2240 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [0,2,0,0,0,0|1,1,0]=4 2241 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,2,0,0,0,0|0,1,0]=3 2242 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,2,0,0,0,0|0,1,0]=3 2243 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,2,0,0,0,0|0,1,0]=3 2244 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,2,0,0,0,0|0,1,0]=3 2245 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,2,0,0,0,0|0,1,0]=3 2246 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,2,0,0,0,0|1,1,0]=4 2247 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,2,0,0,0,0|1,1,0]=4 2248 B7R0.1 CCOCSCC#N 62a_100000739092_100011215382 [0,2,0,0,0,0|0,1,1]=4 2249 B7R0.1 CCOCSCC#N 62a_100011215382_100000739092 [0,2,0,0,0,0|0,1,1]=4 2250 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,2,0,0,0,0|0,1,1]=4 2251 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,2,0,0,0,0|0,1,1]=4 2252 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,2,0,0,0,0|0,1,0]=3 2253 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,2,0,0,0,0|0,1,0]=3 2254 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,2,0,0,0,0|0,1,0]=3 2255 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,2,0,0,0,0|0,1,0]=3 2256 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [0,2,0,0,0,0|0,1,0]=3 2257 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [0,2,0,0,0,0|0,1,0]=3 2258 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,2,0,0,0,0|0,1,0]=3 2259 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,2,0,0,0,0|0,1,0]=3 2260 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [0,2,0,0,0,0|1,0,1]=4 2261 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [0,2,0,0,0,0|1,0,1]=4 2262 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,2,0,0,0,0|1,0,0]=3 2263 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,2,0,0,0,0|1,0,0]=3 2264 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,2,0,0,0,0|1,0,0]=3 2265 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,2,0,0,0,0|1,0,0]=3 2266 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,2,0,0,0,0|1,0,0]=3 2267 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,2,0,0,0,0|1,0,0]=3 2268 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,2,0,0,0,0|1,0,0]=3 2269 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,2,0,0,0,0|1,0,0]=3 2270 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,2,0,0,0,0|1,0,0]=3 2271 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,2,0,0,0,0|1,0,0]=3 2272 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,2,0,0,0,0|1,0,0]=3 2273 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,2,0,0,0,0|1,0,0]=3 2274 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,2,0,0,0,0|1,0,0]=3 2275 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,2,0,0,0,0|1,0,0]=3 2276 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [0,2,0,0,0,0|1,0,0]=3 2277 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [0,2,0,0,0,0|1,0,0]=3 2278 B7R0.1 CCSCCSC#N 62a_100000034367_100000210202 [0,2,0,0,0,0|1,0,1]=4 2279 B7R0.1 CCSCCSC#N 62a_100000210202_100000034367 [0,2,0,0,0,0|1,0,1]=4 2280 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,2,0,0,0,0|0,0,0]=2 2281 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,2,0,0,0,0|0,0,0]=2 2282 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,2,0,0,0,0|1,0,0]=3 2283 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,2,0,0,0,0|1,0,0]=3 2284 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,2,0,0,0,0|2,0,0]=4 2285 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,2,0,0,0,0|2,0,0]=4 2286 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,2,0,0,0,0|2,0,0]=4 2287 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,2,0,0,0,0|2,0,0]=4 2288 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,2,0,0,0,0|2,0,0]=4 2289 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,2,0,0,0,0|2,0,0]=4 2290 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,2,0,0,0,0|2,0,0]=4 2291 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,2,0,0,0,0|2,0,0]=4 2292 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,2,0,0,0,0|2,0,0]=4 2293 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,2,0,0,0,0|2,0,0]=4 2294 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,2,0,0,0,0|2,0,0]=4 2295 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,2,0,0,0,0|1,1,0]=4 2296 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,2,0,0,0,0|1,1,0]=4 2297 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,2,0,0,0,0|1,1,0]=4 2298 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,2,0,0,0,0|1,1,0]=4 2299 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,2,0,0,0,0|1,1,0]=4 2300 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,2,0,0,0,0|1,0,0]=3 2301 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,2,0,0,0,0|1,1,0]=4 2302 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,2,0,0,0,0|2,0,0]=4 2303 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,2,0,0,0,0|2,0,0]=4 2304 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,2,0,0,0,0|2,0,0]=4 2305 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,2,0,0,0,0|2,0,0]=4 2306 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,2,0,0,0,0|2,0,0]=4 2307 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,2,0,0,0,0|2,0,0]=4 2308 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,2,0,0,0,0|2,0,0]=4 2309 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,2,0,0,0,0|2,0,0]=4 2310 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,2,0,0,0,0|2,0,0]=4 2311 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,2,0,0,0,0|2,0,0]=4 2312 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,2,0,0,0,0|2,0,0]=4 2313 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,2,0,0,0,0|2,0,0]=4 2314 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,2,0,0,0,0|2,0,0]=4 2315 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,2,0,0,0,0|2,0,0]=4 2316 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,2,0,0,0,0|2,0,0]=4 2317 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,2,0,0,0,0|2,0,0]=4 2318 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,2,0,0,0,0|2,0,0]=4 2319 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,2,0,0,0,0|2,0,0]=4 2320 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,2,0,0,0,0|2,0,0]=4 2321 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,2,0,0,0,0|2,0,0]=4 2322 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,2,0,0,0,0|2,0,0]=4 2323 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,2,0,0,0,0|2,0,0]=4 2324 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,2,0,0,0,0|2,0,0]=4 2325 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,2,0,0,0,0|2,0,0]=4 2326 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,2,0,0,0,0|2,0,0]=4 2327 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,2,0,0,0,0|2,0,0]=4 2328 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,2,0,0,0,0|2,0,0]=4 2329 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,2,0,0,0,0|1,1,0]=4 2330 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,2,0,0,0,0|1,1,0]=4 2331 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,2,0,0,0,0|1,1,0]=4 2332 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,2,0,0,0,0|1,1,0]=4 2333 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,2,0,0,0,0|1,1,0]=4 2334 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,2,0,0,0,0|1,1,0]=4 2335 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,2,0,0,0,0|1,1,0]=4 2336 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,2,0,0,0,0|1,1,0]=4 2337 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,2,0,0,0,0|1,1,0]=4 2338 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,2,0,0,0,0|1,1,0]=4 2339 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,2,0,0,0,0|1,1,0]=4 2340 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,2,0,0,0,0|1,1,0]=4 2341 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,2,0,0,0,0|1,1,0]=4 2342 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,2,0,0,0,0|1,1,0]=4 2343 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,2,0,0,0,0|1,1,0]=4 2344 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,2,0,0,0,0|1,1,0]=4 2345 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,2,0,0,0,0|1,1,0]=4 2346 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,2,0,0,0,0|1,1,0]=4 2347 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,2,0,0,0,0|1,1,0]=4 2348 B7R0.1 COCCSCC#N 62a_100000233755_100011215382 [0,2,0,0,0,0|1,0,1]=4 2349 B7R0.1 COCCSCC#N 62a_100011215382_100000233755 [0,2,0,0,0,0|1,0,1]=4 2350 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,2,0,0,0,0|1,0,1]=4 2351 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,2,0,0,0,0|1,0,1]=4 2352 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,2,0,0,0,0|1,0,0]=3 2353 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,2,0,0,0,0|1,0,0]=3 2354 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,2,0,0,0,0|1,0,0]=3 2355 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,2,0,0,0,0|1,0,0]=3 2356 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,2,0,0,0,0|1,0,0]=3 2357 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,2,0,0,0,0|1,0,0]=3 2358 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,2,0,0,0,0|1,0,0]=3 2359 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,2,0,0,0,0|1,0,0]=3 2360 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,2,0,0,0,0|2,0,0]=4 2361 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,2,0,0,0,0|2,0,0]=4 2362 B7R0.1 COCSCCC#N 62a_100000766300_100011215226 [0,2,0,0,0,0|1,0,1]=4 2363 B7R0.1 COCSCCC#N 62a_100011215226_100000766300 [0,2,0,0,0,0|1,0,1]=4 2364 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,2,0,0,0,0|1,0,0]=3 2365 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,2,0,0,0,0|1,0,0]=3 2366 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,2,0,0,0,0|1,0,0]=3 2367 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,2,0,0,0,0|1,0,0]=3 2368 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,2,0,0,0,0|1,0,0]=3 2369 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,2,0,0,0,0|1,0,0]=3 2370 B7R0.1 COCSCSC#N 62a_100000211825_100000766300 [0,2,0,0,0,0|1,0,1]=4 2371 B7R0.1 COCSCSC#N 62a_100000766300_100000211825 [0,2,0,0,0,0|1,0,1]=4 2372 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,2,0,0,0,0|2,0,0]=4 2373 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,2,0,0,0,0|2,0,0]=4 2374 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,2,0,0,0,0|2,0,0]=4 2375 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,2,0,0,0,0|2,0,0]=4 2376 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,2,0,0,0,0|2,0,0]=4 2377 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,2,0,0,0,0|2,0,0]=4 2378 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,2,0,0,0,0|2,0,0]=4 2379 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,2,0,0,0,0|2,0,0]=4 2380 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,2,0,0,0,0|2,0,0]=4 2381 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,2,0,0,0,0|2,0,0]=4 2382 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,2,0,0,0,0|2,0,0]=4 2383 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,2,0,0,0,0|2,0,0]=4 2384 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,2,0,0,0,0|1,1,0]=4 2385 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,2,0,0,0,0|1,1,0]=4 2386 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,2,0,0,0,0|1,1,0]=4 2387 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,2,0,0,0,0|1,1,0]=4 2388 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,2,0,0,0,0|1,1,0]=4 2389 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,2,0,0,0,0|1,1,0]=4 2390 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,2,0,0,0,0|1,1,0]=4 2391 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,2,0,0,0,0|1,1,0]=4 2392 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,2,0,0,0,0|1,1,0]=4 2393 B7R0.1 CSCCSCC#N 62a_100000212216_100011215382 [0,2,0,0,0,0|1,0,1]=4 2394 B7R0.1 CSCCSCC#N 62a_100011215382_100000751147 [0,2,0,0,0,0|1,0,1]=4 2395 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,2,0,0,0,0|1,0,1]=4 2396 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,2,0,0,0,0|1,0,1]=4 2397 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,2,0,0,0,0|1,0,0]=3 2398 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,2,0,0,0,0|1,0,0]=3 2399 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,2,0,0,0,0|1,0,0]=3 2400 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,2,0,0,0,0|1,0,0]=3 2401 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [0,2,0,0,0,0|1,0,0]=3 2402 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [0,2,0,0,0,0|1,0,0]=3 2403 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,2,0,0,0,0|2,0,0]=4 2404 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,2,0,0,0,0|2,0,0]=4 2405 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,2,0,0,0,0|1,1,0]=4 2406 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,2,0,0,0,0|1,1,0]=4 2407 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,2,0,0,0,0|1,1,0]=4 2408 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,2,0,0,0,0|1,1,0]=4 2409 B7R0.1 CSCSCCC#N 62a_100011215226_100011218213 [0,2,0,0,0,0|1,0,1]=4 2410 B7R0.1 CSCSCCC#N 62a_100011218213_100011215226 [0,2,0,0,0,0|1,0,1]=4 2411 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,2,0,0,0,0|1,0,0]=3 2412 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,2,0,0,0,0|1,0,0]=3 2413 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,2,0,0,0,0|1,0,0]=3 2414 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,2,0,0,0,0|1,0,0]=3 2415 B7R0.1 CSCSCSC#N 62a_100000211825_100011218213 [0,2,0,0,0,0|1,0,1]=4 2416 B7R0.1 CSCSCSC#N 62a_100011218213_100000211825 [0,2,0,0,0,0|1,0,1]=4 2417 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,2,0,0,0,0|2,0,0]=4 2418 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,2,0,0,0,0|2,0,0]=4 2419 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,2,0,0,0,0|2,0,0]=4 2420 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,2,0,0,0,0|2,0,0]=4 2421 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,2,0,0,0,0|2,0,0]=4 2422 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,2,0,0,0,0|1,1,0]=4 2423 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,2,0,0,0,0|1,1,0]=4 2424 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,2,0,0,0,0|1,0,0]=3 2425 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,2,0,0,0,0|1,0,0]=3 2426 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,2,0,0,0,0|1,1,0]=4 2427 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,2,0,0,0,0|1,1,0]=4 2428 B7R0.1 N#CCCCSCF 62a_100000687738_100015361967 [0,2,0,0,0,0|2,0,0]=4 2429 B7R0.1 N#CCCCSCF 62a_100015361967_100000687738 [0,2,0,0,0,0|2,0,0]=4 2430 B7R0.1 N#CCCSCCF 62a_100011215226_100011217306 [0,2,0,0,0,0|1,0,1]=4 2431 B7R0.1 N#CCCSCCF 62a_100011217306_100011215226 [0,2,0,0,0,0|1,0,1]=4 2432 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,2,0,0,0,0|1,0,1]=4 2433 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,2,0,0,0,0|1,0,1]=4 2434 B7R0.1 N#CCSCCCF 62a_100011215382_100011934791 [0,2,0,0,0,0|1,0,1]=4 2435 B7R0.1 N#CCSCCCF 62a_100011934791_100011215382 [0,2,0,0,0,0|1,0,1]=4 2436 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,2,0,0,0,0|1,0,1]=4 2437 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,2,0,0,0,0|1,0,1]=4 2438 B7R0.1 N#CSCSCCF 62a_100000211825_100011217306 [0,2,0,0,0,0|1,0,1]=4 2439 B7R0.1 N#CSCSCCF 62a_100011217306_100000211825 [0,2,0,0,0,0|1,0,1]=4 2440 B7R0.1 N#CSCSCCO 62a_100000211825_100000211926 [0,2,0,0,0,0|1,0,1]=4 2441 B7R0.1 N#CSCSCCO 62a_100000211926_100000211825 [0,2,0,0,0,0|1,0,1]=4 2442 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,2,0,0,0,0|1,1,0]=4 2443 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,2,0,0,0,0|1,1,0]=4 2444 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,2,0,0,0,0|1,1,0]=4 2445 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,2,0,0,0,0|1,1,0]=4 2446 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,2,0,0,0,0|2,0,0]=4 2447 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,2,0,0,0,0|2,0,0]=4 2448 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,2,0,0,0,0|1,0,1]=4 2449 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,2,0,0,0,0|1,0,1]=4 2450 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,2,0,0,0,0|1,0,1]=4 2451 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,2,0,0,0,0|1,0,1]=4 2452 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,2,0,0,0,0|2,0,0]=4 2453 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,2,0,0,0,0|2,0,0]=4 2454 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,2,0,0,0,0|2,0,0]=4 2455 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,2,0,0,0,0|2,0,0]=4 2456 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,2,0,0,0,0|2,0,0]=4 2457 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,2,0,0,0,0|1,1,0]=4 2458 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,2,0,0,0,0|1,0,0]=3 2459 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,2,0,0,0,0|1,0,0]=3 2460 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,2,0,0,0,0|1,0,0]=3 2461 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,2,0,0,0,0|1,0,0]=3 2462 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,2,0,0,0,0|2,0,0]=4 2463 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,2,0,0,0,0|2,0,0]=4 2464 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,2,0,0,0,0|2,0,0]=4 2465 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,2,0,0,0,0|2,0,0]=4 2466 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,2,0,0,0,0|1,1,0]=4 2467 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,2,0,0,0,0|1,1,0]=4 2468 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,2,0,0,0,0|1,1,0]=4 2469 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,2,0,0,0,0|1,0,0]=3 2470 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,2,0,0,0,0|1,0,0]=3 2471 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,2,0,0,0,0|2,0,0]=4 2472 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,2,0,0,0,0|2,0,0]=4 2473 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,2,0,0,0,0|1,1,0]=4 2474 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,2,0,0,0,0|1,1,0]=4 2475 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,2,0,0,0,0|1,0,0]=3 2476 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,2,0,0,0,0|2,0,0]=4 2477 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,2,0,0,0,0|2,0,0]=4 2478 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,2,0,0,0,0|2,0,0]=4 2479 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,2,0,0,0,0|2,0,0]=4 2480 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,2,0,0,0,0|2,0,0]=4 2481 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,2,0,0,0,0|2,0,0]=4 2482 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,2,0,0,0,0|2,0,0]=4 2483 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,2,0,0,0,0|1,1,0]=4 2484 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,2,0,0,0,0|1,1,0]=4 2485 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,2,0,0,0,0|1,1,0]=4 2486 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,2,0,0,0,0|1,1,0]=4 2487 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,2,0,0,0,0|1,1,0]=4 2488 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,2,0,0,0,0|1,1,0]=4 2489 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,2,0,0,0,0|1,1,0]=4 2490 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,2,0,0,0,0|1,1,0]=4 2491 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,2,0,0,0,0|1,1,0]=4 2492 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,2,0,0,0,0|2,0,0]=4 2493 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,2,0,0,0,0|2,0,0]=4 2494 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,2,0,0,0,0|2,0,0]=4 2495 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,2,0,0,0,0|2,0,0]=4 2496 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,2,0,0,0,0|1,1,0]=4 2497 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,2,0,0,0,0|1,1,0]=4 2498 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|2,0,0]=4 2499 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|2,0,0]=4 2500 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|2,0,0]=4 2501 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|2,0,0]=4 2502 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|1,1,0]=4 2503 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|1,0,0]=3 2504 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|2,0,0]=4 2505 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|1,0,0]=3 2506 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,1,0,1,0,0|2,0,0]=4 2507 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,1,0,1,0,0|2,0,0]=4 2508 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,1,0,1,0,0|1,0,0]=3 2509 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,1,0,1,0,0|1,0,0]=3 2510 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,1,0,0|2,0,0]=4 2511 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,1,0,0|2,0,0]=4 2512 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,1,0,0|2,0,0]=4 2513 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,1,0,0|2,0,0]=4 2514 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,1,0,0|2,0,0]=4 2515 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,1,0,0|2,0,0]=4 2516 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,1,0,0|1,1,0]=4 2517 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,1,0,0|1,1,0]=4 2518 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,1,0,0|1,1,0]=4 2519 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,1,0,0|1,1,0]=4 2520 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,1,0,0|1,0,0]=3 2521 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,1,0,0|1,1,0]=4 2522 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,1,0,0|1,1,0]=4 2523 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,1,0,0|1,1,0]=4 2524 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,1,0,0|2,0,0]=4 2525 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,1,0,0|2,0,0]=4 2526 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,1,0,0|2,0,0]=4 2527 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,1,0,1,0,0|1,1,0]=4 2528 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|1,1,0]=4 2529 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,1,0,0|1,0,0]=3 2530 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|1,1,0]=4 2531 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,1,0,0|2,0,0]=4 2532 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,1,0,0|2,0,0]=4 2533 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,1,0,0|1,1,0]=4 2534 B7R1.1 FCN1CCSC1 269982a_100011215254_100015361967 [0,1,0,1,0,0|2,0,0]=4 2535 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,1,0,0|2,0,0]=4 2536 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,1,0,0|2,0,0]=4 2537 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,1,0,0|1,1,0]=4 2538 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,1,0,0|1,1,0]=4 2539 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,1,0,0|1,1,0]=4 2540 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,1,0,0|2,0,0]=4 2541 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,1,0,0|2,0,0]=4 2542 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,1,0,1,0,0|1,1,0]=4 2543 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,1,0,0|1,0,0]=3 2544 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|1,1,0]=4 2545 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,1,0,0|2,0,0]=4 2546 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,1,0,0|2,0,0]=4 2547 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,1,0,0|1,1,0]=4 2548 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 2549 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 2550 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 2551 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 2552 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 2553 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 2554 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 2555 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 2556 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 2557 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,1,0,1,0,0|1,1,0]=4 2558 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,1,0,1,0,0|1,1,0]=4 2559 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,1,0,1,0,0|1,1,0]=4 2560 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,1,0,1,0,0|1,1,0]=4 2561 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,1,0,1,0,0|1,1,0]=4 2562 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,1,0,1,0,0|1,1,0]=4 2563 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,1,0,1,0,0|1,0,0]=3 2564 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,1,0,1,0,0|1,0,0]=3 2565 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 2566 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 2567 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 2568 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,1,0,1,0,0|1,1,0]=4 2569 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,1,0,1,0,0|1,1,0]=4 2570 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,1,0,1,0,0|1,1,0]=4 2571 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,1,0,1,0,0|1,1,0]=4 2572 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,1,0,1,0,0|1,1,0]=4 2573 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,1,0,1,0,0|1,1,0]=4 2574 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,1,0,1,0,0|1,0,0]=3 2575 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,1,0,1,0,0|1,0,0]=3 2576 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,1,0,0|1,0,0]=3 2577 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,1,0,0|1,0,0]=3 2578 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,1,0,0|1,0,0]=3 2579 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,1,0,0|1,0,0]=3 2580 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,1,0,0|1,0,0]=3 2581 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,1,0,0|1,0,0]=3 2582 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 2583 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 2584 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 2585 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 2586 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 2587 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 2588 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,1,0,0|2,0,0]=4 2589 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,1,0,0|2,0,0]=4 2590 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,1,0,0|2,0,0]=4 2591 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,1,0,0|2,0,0]=4 2592 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,1,0,1,0,0|2,0,0]=4 2593 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,1,0,1,0,0|2,0,0]=4 2594 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [0,1,0,1,0,0|2,0,0]=4 2595 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [0,1,0,1,0,0|2,0,0]=4 2596 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [0,1,0,1,0,0|2,0,0]=4 2597 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,1,0,1,0,0|2,0,0]=4 2598 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,1,0,1,0,0|2,0,0]=4 2599 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,1,0,1,0,0|2,0,0]=4 2600 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,1,0,1,0,0|2,0,0]=4 2601 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,1,0,1,0,0|2,0,0]=4 2602 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,1,0,1,0,0|2,0,0]=4 2603 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,1,0,1,0,0|2,0,0]=4 2604 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,1,0,1,0,0|1,1,0]=4 2605 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,1,0,1,0,0|1,1,0]=4 2606 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,1,0,1,0,0|1,1,0]=4 2607 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,1,0,1,0,0|1,1,0]=4 2608 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,1,0,1,0,0|1,0,0]=3 2609 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,1,0,1,0,0|1,0,0]=3 2610 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,1,0,1,0,0|2,0,0]=4 2611 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,1,0,1,0,0|2,0,0]=4 2612 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,1,0,1,0,0|2,0,0]=4 2613 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,1,0,1,0,0|2,0,0]=4 2614 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,1,0,1,0,0|2,0,0]=4 2615 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,1,0,1,0,0|2,0,0]=4 2616 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,1,0,1,0,0|1,1,0]=4 2617 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,1,0,1,0,0|1,1,0]=4 2618 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,1,0,1,0,0|1,1,0]=4 2619 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,1,0,1,0,0|1,1,0]=4 2620 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,1,0,1,0,0|1,1,0]=4 2621 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,1,0,1,0,0|2,0,0]=4 2622 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,1,0,1,0,0|2,0,0]=4 2623 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,1,0,0|1,1,0]=4 2624 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,1,0,0|1,1,0]=4 2625 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [0,1,0,1,0,0|2,0,0]=4 2626 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,1,0,1,0,0|2,0,0]=4 2627 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,1,0,1,0,0|2,0,0]=4 2628 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,1,0,0|1,1,0]=4 2629 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,1,0,0|1,1,0]=4 2630 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [0,1,0,1,0,0|2,0,0]=4 2631 B7R1.6 FCCN1CCC1 269982a_100000754969_100011217306 [0,1,0,1,0,0|2,0,0]=4 2632 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,1,0,1,0,0|2,0,0]=4 2633 B7R1.6 FCSC1COC1 62a_100015361967_100009818527 [0,1,0,1,0,0|2,0,0]=4 2634 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [0,1,0,1,0,0|2,0,0]=4 2635 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,1,0,1,0,0|2,0,0]=4 2636 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,1,0,1,0,0|2,0,0]=4 2637 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,1,0,1,0,0|1,1,0]=4 2638 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,1,0,1,0,0|1,1,0]=4 2639 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,1,0,1,0,0|2,0,0]=4 2640 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,1,0,0|1,1,0]=4 2641 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,1,0,1,0,0|2,0,0]=4 2642 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,1,0,1,0,0|2,0,0]=4 2643 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,1,0,0|1,1,0]=4 2644 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,1,0,0|1,1,0]=4 2645 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,1,0,1,0,0|2,0,0]=4 2646 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,1,0,1,0,0|2,0,0]=4 2647 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [0,1,0,1,0,0|2,0,0]=4 2648 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [0,1,0,1,0,0|2,0,0]=4 2649 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [0,1,0,1,0,0|2,0,0]=4 2650 B7R1.10 CCN1CC(C1)F 2230a_100000690557_100000210202 [0,1,0,1,0,0|2,0,0]=4 2651 B7R1.10 CCN1CC(C1)F 269982a_100000690557_100000204670 [0,1,0,1,0,0|2,0,0]=4 2652 B7R1.10 CCN1CC(C1)F 34a_100000690557_100000210202 [0,1,0,1,0,0|2,0,0]=4 2653 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [0,1,0,1,0,0|2,0,0]=4 2654 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,1,0,1,0,0|2,0,0]=4 2655 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,1,0,1,0,0|1,1,0]=4 2656 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,1,0,1,0,0|2,0,0]=4 2657 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,1,0,1,0,0|2,0,0]=4 2658 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,1,0,1,0,0|2,0,0]=4 2659 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,1,0,1,0,0|2,0,0]=4 2660 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,1,0,1,0,0|2,0,0]=4 2661 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,1,0,1,0,0|2,0,0]=4 2662 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,1,0,1,0,0|2,0,0]=4 2663 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,1,0,1,0,0|2,0,0]=4 2664 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [0,1,0,1,0,0|1,1,0]=4 2665 B7R1.7 C#CCSC1CC1 62a_100000038162_100000211595 [0,1,0,1,0,0|1,0,1]=4 2666 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,1,0,1,0,0|1,0,1]=4 2667 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,1,0,1,0,0|2,0,0]=4 2668 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,1,0,1,0,0|1,1,0]=4 2669 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,1,0,1,0,0|1,0,0]=3 2670 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [0,1,0,1,0,0|2,0,0]=4 2671 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [0,1,0,1,0,0|2,0,0]=4 2672 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [0,1,0,1,0,0|2,0,0]=4 2673 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [0,1,0,1,0,0|2,0,0]=4 2674 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,1,0,1,0,0|2,0,0]=4 2675 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,1,0,1,0,0|1,1,0]=4 2676 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,1,0,1,0,0|1,1,0]=4 2677 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,1,0,1,0,0|1,1,0]=4 2678 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,1,0,1,0,0|1,1,0]=4 2679 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [0,1,0,1,0,0|1,0,0]=3 2680 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [0,1,0,1,0,0|1,0,0]=3 2681 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,1,0,1,0,0|1,0,0]=3 2682 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,1,0,1,0,0|1,0,0]=3 2683 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [0,1,0,1,0,0|1,0,0]=3 2684 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [0,1,0,1,0,0|1,0,0]=3 2685 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,1,0,1,0,0|1,0,0]=3 2686 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,1,0,1,0,0|1,0,0]=3 2687 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,1,0,1,0,0|2,0,0]=4 2688 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,1,0,1,0,0|2,0,0]=4 2689 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,1,0,1,0,0|2,0,0]=4 2690 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,1,0,1,0,0|2,0,0]=4 2691 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,1,0,1,0,0|2,0,0]=4 2692 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,1,0,1,0,0|2,0,0]=4 2693 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,1,0,1,0,0|2,0,0]=4 2694 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [0,1,0,1,0,0|1,0,0]=3 2695 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,1,0,1,0,0|2,0,0]=4 2696 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,1,0,1,0,0|2,0,0]=4 2697 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,1,0,1,0,0|2,0,0]=4 2698 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [0,1,0,1,0,0|1,0,0]=3 2699 B7R1.7 FCCNC1CC1 34a_100000212008_100011217306 [0,1,0,1,0,0|2,0,0]=4 2700 B7R1.7 FCCNC1CC1 34a_100000724931_100000211595 [0,1,0,1,0,0|2,0,0]=4 2701 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [0,1,0,1,0,0|1,0,0]=3 2702 B7R1.7 FCSCC1CC1 62a_100000756562_100015361967 [0,1,0,1,0,0|2,0,0]=4 2703 B7R1.7 FCSCC1CC1 62a_100015361967_100000742324 [0,1,0,1,0,0|2,0,0]=4 2704 B7R1.7 FCSCC1CO1 62a_100015361967_102125554688 [0,1,0,1,0,0|2,0,0]=4 2705 B7R1.7 FCSCC1CO1 62a_102125554688_100015361967 [0,1,0,1,0,0|2,0,0]=4 2706 B7R1.7 FCSCC1CS1 62a_100000031435_100015361967 [0,1,0,1,0,0|2,0,0]=4 2707 B7R1.7 FCSCC1CS1 62a_100015361967_100000031435 [0,1,0,1,0,0|2,0,0]=4 2708 B7R1.7 FCSC[C@@H]1CO1 62a_100000745022_100015361967 [0,1,0,1,0,0|2,0,0]=4 2709 B7R1.7 FCSC[C@@H]1CO1 62a_100015361967_100000745022 [0,1,0,1,0,0|2,0,0]=4 2710 B7R1.7 N#CCSC1CC1 62a_100011215382_100000211595 [0,1,0,1,0,0|1,0,1]=4 2711 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [0,1,0,1,0,0|1,1,0]=4 2712 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,1,0,1,0,0|1,0,1]=4 2713 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,1,0,1,0,0|2,0,0]=4 2714 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,1,0,1,0,0|2,0,0]=4 2715 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,1,0,1,0,0|1,0,0]=3 2716 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,1,0,1,0,0|2,0,0]=4 2717 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,1,0,1,0,0|2,0,0]=4 2718 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,1,0,1,0,0|2,0,0]=4 2719 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,1,0,1,0,0|2,0,0]=4 2720 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,1,0,1,0,0|2,0,0]=4 2721 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [0,1,0,1,0,0|2,0,0]=4 2722 B7R1.20 CC(C)NC1CC1 34a_100000212008_100000210206 [0,1,0,1,0,0|2,0,0]=4 2723 B7R1.20 CC(C)NC1CC1 34a_100138425928_100000211595 [0,1,0,1,0,0|2,0,0]=4 2724 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [0,1,0,1,0,0|1,1,0]=4 2725 B7R1.20 CC(C)SC1CC1 62a_100000210206_100000211595 [0,1,0,1,0,0|1,0,0]=3