0 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,0,0,0,0,0|1,1,2]=4 2 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,0,0,0,0,0|1,1,2]=4 3 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 C#CCCSCCF 62a_100000688953_100011217306 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 C#CCCSCCF 62a_100011217306_100000688953 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 C#CCCSCOC 62a_100000688953_100000766300 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 C#CCCSCOC 62a_100000766300_100000688953 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 C#CCCSCSC 62a_100000688953_100011218213 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 C#CCCSCSC 62a_100011218213_100000688953 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,0,0,0,0,0|1,1,2]=4 17 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,0,0,0,0,0|1,1,2]=4 18 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,0,0,0,0,0|1,1,2]=4 19 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.1 C#CCSCCCF 62a_100000038162_100011934791 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.1 C#CCSCCOC 62a_100000038162_100000233755 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.1 C#CCSCCSC 62a_100000038162_100000751147 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.1 C#CCSCOCC 62a_100000038162_100000739092 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,0,0,0,0,0|1,1,2]=4 26 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,0,0,0,0,0|1,1,2]=4 27 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,0,0,0,0,0|1,0,2]=3 28 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,0,0,0,0,0|1,1,2]=4 39 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,0,0,0,0,0|1,1,2]=4 40 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,0,0,0,0,0|1,0,2]=3 41 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,0,0,0,0,0|1,0,2]=3 42 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,0,0,0,0,0|2,0,2]=4 50 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,0,0,0,0,0|2,0,2]=4 51 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,0,0,0,0,0|2,0,2]=4 52 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,0,0,0,0,0|1,1,2]=4 54 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,0,0,0,0,0|1,1,2]=4 55 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,0,0,0,0,0|1,1,2]=4 56 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,0,0,0,0,0|1,0,2]=3 58 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,0,0,0,0,0|2,0,2]=4 59 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,0,0,0,0,0|2,0,2]=4 63 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,0,0,0,0,0|2,0,2]=4 64 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,0,0,0,0,0|2,0,2]=4 66 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,0,0,0,0,0|2,0,2]=4 67 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,0,0,0,0,0|2,0,2]=4 69 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [0,0,0,0,0,0|1,1,2]=4 71 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [0,0,0,0,0,0|1,1,2]=4 72 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [0,0,0,0,0,0|1,0,2]=3 73 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [0,0,0,0,0,0|1,0,2]=3 74 B7R0.1 CC#CCSCCF 62a_100000748600_100011217306 [0,0,0,0,0,0|2,0,2]=4 75 B7R0.1 CC#CCSCCF 62a_100011217306_100000748600 [0,0,0,0,0,0|2,0,2]=4 76 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [0,0,0,0,0,0|2,0,2]=4 77 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [0,0,0,0,0,0|2,0,2]=4 78 B7R0.1 CC#CCSCOC 62a_100000748600_100000766300 [0,0,0,0,0,0|2,0,2]=4 79 B7R0.1 CC#CCSCOC 62a_100000766300_100000748600 [0,0,0,0,0,0|2,0,2]=4 80 B7R0.1 CC#CCSCSC 62a_100000748600_100011218213 [0,0,0,0,0,0|2,0,2]=4 81 B7R0.1 CC#CCSCSC 62a_100011218213_100000748600 [0,0,0,0,0,0|2,0,2]=4 82 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,0,0,0,0,0|3,0,1]=4 91 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,0,0,0,0,0|3,0,1]=4 92 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,0,0,0,0,0|1,1,2]=4 100 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,0,0,0,0,0|1,0,2]=3 101 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,0,0,0,0,0|1,0,2]=3 102 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [0,0,0,0,0,0|2,0,2]=4 103 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [0,0,0,0,0,0|2,0,2]=4 104 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,0,0,0,0,0|2,0,2]=4 105 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,0,0,0,0,0|2,0,2]=4 106 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [0,0,0,0,0,0|2,0,2]=4 107 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [0,0,0,0,0,0|2,0,2]=4 108 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,0,0,0,0,0|2,0,2]=4 109 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,0,0,0,0,0|2,0,2]=4 110 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,0,0,0,0,0|3,0,1]=4 111 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [0,0,0,0,0,0|3,0,1]=4 117 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,0,0,0,0,0|3,0,0]=3 121 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,0,0,0,0,0|3,0,0]=3 122 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,0,0,0,0,0|3,0,0]=3 123 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,0,0,0,0,0|3,0,0]=3 124 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,0,0,0,0,0|2,0,1]=3 125 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,0,0,0,0,0|3,0,0]=3 127 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,0,0,0,0,0|3,0,0]=3 130 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [0,0,0,0,0,0|3,0,0]=3 131 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,0,0,0,0,0|3,0,0]=3 132 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,0,0,0,0,0|3,0,0]=3 133 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,0,0,0,0,0|3,0,0]=3 134 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,0,0,0,0,0|3,0,0]=3 135 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,0,0,0,0,0|3,0,0]=3 136 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,0,0,0,0,0|3,0,0]=3 137 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,0,0,0,0,0|3,0,0]=3 138 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,0,0,0,0,0|3,0,0]=3 139 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,0,0,0,0,0|3,0,0]=3 140 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,0,0,0,0,0|3,0,0]=3 141 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,0,0,0,0,0|3,0,0]=3 142 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,0,0,0,0,0|3,0,0]=3 143 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,0,0,0,0,0|3,0,0]=3 144 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,0,0,0,0,0|3,0,0]=3 145 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,0,0,0,0,0|3,0,0]=3 146 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,0,0,0,0,0|3,0,0]=3 147 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,0,0,0,0,0|3,0,0]=3 148 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,0,0,0,0,0|3,0,0]=3 149 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,0,0,0,0,0|3,0,0]=3 150 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,0,0,0,0,0|4,0,0]=4 151 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,0,0,0,0,0|4,0,0]=4 152 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,0,0,0,0,0|3,0,0]=3 153 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,0,0,0,0,0|3,0,0]=3 154 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,0,0,0,0,0|4,0,0]=4 155 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,0,0,0,0,0|4,0,0]=4 156 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,0,0,0,0,0|3,0,1]=4 157 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,0,0,0,0,0|3,0,1]=4 158 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,0,0,0,0,0|3,0,1]=4 159 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,0,0,0,0,0|3,0,1]=4 160 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,0,0,0,0,0|2,0,0]=2 161 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,0,0,0,0,0|2,0,0]=2 162 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,0,0,0,0,0|3,0,0]=3 163 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,0,0,0,0,0|3,0,0]=3 164 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,0,0,0,0,0|3,0,0]=3 165 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,0,0,0,0,0|3,0,0]=3 166 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,0,0,0,0,0|3,0,0]=3 167 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,0,0,0,0,0|3,0,0]=3 168 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,0,0,0,0,0|3,0,0]=3 169 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,0,0,0,0,0|3,0,0]=3 170 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,0,0,0,0,0|3,0,0]=3 171 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,0,0,0,0,0|2,1,1]=4 172 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,0,0,0,0,0|2,1,1]=4 173 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,0,0,0,0,0|2,1,1]=4 174 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,0,0,0,0,0|2,1,0]=3 175 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,0,0,0,0,0|1,1,0]=2 176 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,0,0,0,0,0|1,1,0]=2 177 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,0,0,0,0,0|1,1,0]=2 178 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,0,0,0,0,0|2,1,0]=3 179 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,0,0,0,0,0|2,1,0]=3 180 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,0,0,0,0,0|2,1,0]=3 181 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,0,0,0,0,0|2,1,0]=3 182 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,0,0,0,0,0|2,1,0]=3 183 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,0,0,0,0,0|2,1,0]=3 184 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,0,0,0,0,0|2,1,0]=3 185 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,0,0,0,0,0|2,1,0]=3 186 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,0,0,0,0,0|2,1,0]=3 187 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,0,0,0,0,0|2,1,0]=3 188 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,0,0,0,0,0|2,1,0]=3 189 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,0,0,0,0,0|2,1,0]=3 190 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,0,0,0,0,0|2,1,0]=3 191 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,0,0,0,0,0|2,0,1]=3 192 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,0,0,0,0,0|2,0,1]=3 193 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,0,0,0,0,0|2,0,1]=3 194 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,0,0,0,0,0|2,0,1]=3 195 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,0,0,0,0,0|1,0,0]=1 196 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,0,0,0,0,0|1,0,0]=1 197 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,0,0,0,0,0|2,0,0]=2 198 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,0,0,0,0,0|2,0,0]=2 199 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,0,0,0,0,0|2,0,0]=2 200 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,0,0,0,0,0|2,0,0]=2 201 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,0,0,0,0,0|2,0,0]=2 202 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,0,0,0,0,0|2,0,0]=2 203 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,0,0,0,0,0|2,0,0]=2 204 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,0,0,0,0,0|2,0,0]=2 205 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,0,0,0,0,0|3,0,0]=3 206 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,0,0,0,0,0|3,0,0]=3 207 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,0,0,0,0,0|3,0,0]=3 208 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,0,0,0,0,0|3,0,0]=3 209 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,0,0,0,0,0|2,1,0]=3 210 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,0,0,0,0,0|2,1,0]=3 211 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,0,0,0,0,0|2,1,0]=3 212 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,0,0,0,0,0|2,1,0]=3 213 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,0,0,0,0,0|2,1,0]=3 214 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,0,0,0,0,0|2,1,0]=3 215 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,0,0,0,0,0|2,1,0]=3 216 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,0,0,0,0,0|2,1,0]=3 217 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,0,0,0,0,0|2,1,0]=3 218 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,0,0,0,0,0|2,1,0]=3 219 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,0,0,0,0,0|2,1,0]=3 220 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,0,0,0,0,0|2,1,0]=3 221 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,0,0,0,0,0|2,1,0]=3 222 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,0,0,0,0,0|2,1,0]=3 223 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,0,0,0,0,0|2,1,0]=3 224 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,0,0,0,0,0|2,1,0]=3 225 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,0,0,0,0,0|2,1,0]=3 226 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,0,0,0,0,0|2,1,0]=3 227 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,0,0,0,0,0|3,1,0]=4 228 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,0,0,0,0,0|2,1,0]=3 229 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,0,0,0,0,0|2,1,0]=3 230 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,0,0,0,0,0|2,1,0]=3 231 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,0,0,0,0,0|2,1,0]=3 232 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,0,0,0,0,0|2,1,0]=3 233 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,0,0,0,0,0|2,1,0]=3 234 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,0,0,0,0,0|2,1,0]=3 235 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,0,0,0,0,0|2,1,0]=3 236 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,0,0,0,0,0|2,1,0]=3 237 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,0,0,0,0,0|2,0,1]=3 238 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,0,0,0,0,0|2,0,1]=3 239 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,0,0,0,0,0|2,0,0]=2 240 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,0,0,0,0,0|2,0,0]=2 241 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,0,0,0,0,0|2,0,0]=2 242 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,0,0,0,0,0|2,0,0]=2 243 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,0,0,0,0,0|2,0,0]=2 244 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,0,0,0,0,0|2,0,0]=2 245 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,0,0,0,0,0|2,0,0]=2 246 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,0,0,0,0,0|2,0,0]=2 247 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,0,0,0,0,0|2,0,0]=2 248 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,0,0,0,0,0|2,0,0]=2 249 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,0,0,0,0,0|2,0,0]=2 250 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,0,0,0,0,0|2,0,0]=2 251 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,0,0,0,0,0|2,0,0]=2 252 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,0,0,0,0,0|2,0,0]=2 253 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,0,0,0,0,0|2,0,0]=2 254 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,0,0,0,0,0|2,0,0]=2 255 B7R0.1 CCCSCSC#N 62a_100000210303_100000211825 [0,0,0,0,0,0|3,0,1]=4 256 B7R0.1 CCCSCSC#N 62a_100000211825_100000210303 [0,0,0,0,0,0|3,0,1]=4 257 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,0,0,0,0,0|4,0,0]=4 258 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,0,0,0,0,0|4,0,0]=4 259 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,0,0,0,0,0|4,0,0]=4 260 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,0,0,0,0,0|4,0,0]=4 261 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,0,0,0,0,0|4,0,0]=4 262 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,0,0,0,0,0|4,0,0]=4 263 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,0,0,0,0,0|4,0,0]=4 264 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,0,0,0,0,0|4,0,0]=4 265 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,0,0,0,0,0|4,0,0]=4 266 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,0,0,0,0,0|4,0,0]=4 267 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,0,0,0,0,0|4,0,0]=4 268 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,0,0,0,0,0|4,0,0]=4 269 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,0,0,0,0,0|4,0,0]=4 270 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,0,0,0,0,0|4,0,0]=4 271 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,0,0,0,0,0|4,0,0]=4 272 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,0,0,0,0,0|4,0,0]=4 273 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,0,0,0,0,0|4,0,0]=4 274 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,0,0,0,0,0|4,0,0]=4 275 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,0,0,0,0,0|4,0,0]=4 276 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,0,0,0,0,0|4,0,0]=4 277 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,0,0,0,0,0|4,0,0]=4 278 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,0,0,0,0,0|4,0,0]=4 279 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,0,0,0,0,0|4,0,0]=4 280 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,0,0,0,0,0|4,0,0]=4 281 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,0,0,0,0,0|4,0,0]=4 282 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,0,0,0,0,0|4,0,0]=4 283 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,0,0,0,0,0|4,0,0]=4 284 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,0,0,0,0,0|4,0,0]=4 285 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,0,0,0,0,0|4,0,0]=4 286 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,0,0,0,0,0|4,0,0]=4 287 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,0,0,0,0,0|4,0,0]=4 288 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,0,0,0,0,0|4,0,0]=4 289 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,0,0,0,0,0|4,0,0]=4 290 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,0,0,0,0,0|4,0,0]=4 291 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,0,0,0,0,0|4,0,0]=4 292 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,0,0,0,0,0|4,0,0]=4 293 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,0,0,0,0,0|4,0,0]=4 294 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,0,0,0,0,0|4,0,0]=4 295 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,0,0,0,0,0|4,0,0]=4 296 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,0,0,0,0,0|4,0,0]=4 297 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,0,0,0,0,0|4,0,0]=4 298 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,0,0,0,0,0|4,0,0]=4 299 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,0,0,0,0,0|4,0,0]=4 300 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,0,0,0,0,0|4,0,0]=4 301 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,0,0,0,0,0|4,0,0]=4 302 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,0,0,0,0,0|4,0,0]=4 303 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,0,0,0,0,0|4,0,0]=4 304 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,0,0,0,0,0|4,0,0]=4 305 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,0,0,0,0,0|4,0,0]=4 306 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,0,0,0,0,0|4,0,0]=4 307 B7R0.1 CCOCSCC#N 62a_100000739092_100011215382 [0,0,0,0,0,0|3,0,1]=4 308 B7R0.1 CCOCSCC#N 62a_100011215382_100000739092 [0,0,0,0,0,0|3,0,1]=4 309 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,0,0,0,0,0|3,0,1]=4 310 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,0,0,0,0,0|3,0,1]=4 311 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,0,0,0,0,0|3,0,0]=3 312 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,0,0,0,0,0|3,0,0]=3 313 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,0,0,0,0,0|3,0,0]=3 314 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,0,0,0,0,0|3,0,0]=3 315 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [0,0,0,0,0,0|3,0,0]=3 316 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [0,0,0,0,0,0|3,0,0]=3 317 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,0,0,0,0,0|3,0,0]=3 318 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,0,0,0,0,0|3,0,0]=3 319 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,0,0,0,0,0|4,0,0]=4 320 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,0,0,0,0,0|4,0,0]=4 321 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,0,0,0,0,0|4,0,0]=4 322 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,0,0,0,0,0|4,0,0]=4 323 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,0,0,0,0,0|4,0,0]=4 324 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,0,0,0,0,0|4,0,0]=4 325 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,0,0,0,0,0|4,0,0]=4 326 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,0,0,0,0,0|4,0,0]=4 327 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,0,0,0,0,0|4,0,0]=4 328 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,0,0,0,0,0|4,0,0]=4 329 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,0,0,0,0,0|4,0,0]=4 330 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,0,0,0,0,0|4,0,0]=4 331 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,0,0,0,0,0|4,0,0]=4 332 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,0,0,0,0,0|4,0,0]=4 333 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,0,0,0,0,0|4,0,0]=4 334 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,0,0,0,0,0|4,0,0]=4 335 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,0,0,0,0,0|4,0,0]=4 336 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,0,0,0,0,0|4,0,0]=4 337 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,0,0,0,0,0|4,0,0]=4 338 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,0,0,0,0,0|4,0,0]=4 339 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,0,0,0,0,0|4,0,0]=4 340 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,0,0,0,0,0|4,0,0]=4 341 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,0,0,0,0,0|4,0,0]=4 342 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,0,0,0,0,0|3,1,0]=4 343 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,0,0,0,0,0|3,1,0]=4 344 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,0,0,0,0,0|3,1,0]=4 345 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,0,0,0,0,0|3,1,0]=4 346 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,0,0,0,0,0|3,1,0]=4 347 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,0,0,0,0,0|3,0,0]=3 348 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,0,0,0,0,0|3,1,0]=4 349 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,0,0,0,0,0|4,0,0]=4 350 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,0,0,0,0,0|4,0,0]=4 351 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,0,0,0,0,0|4,0,0]=4 352 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,0,0,0,0,0|4,0,0]=4 353 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,0,0,0,0,0|4,0,0]=4 354 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,0,0,0,0,0|4,0,0]=4 355 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,0,0,0,0,0|4,0,0]=4 356 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,0,0,0,0,0|4,0,0]=4 357 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,0,0,0,0,0|4,0,0]=4 358 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,0,0,0,0,0|4,0,0]=4 359 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,0,0,0,0,0|4,0,0]=4 360 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,0,0,0,0,0|4,0,0]=4 361 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,0,0,0,0,0|4,0,0]=4 362 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,0,0,0,0,0|4,0,0]=4 363 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,0,0,0,0,0|4,0,0]=4 364 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,0,0,0,0,0|4,0,0]=4 365 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,0,0,0,0,0|4,0,0]=4 366 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,0,0,0,0,0|4,0,0]=4 367 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,0,0,0,0,0|4,0,0]=4 368 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,0,0,0,0,0|4,0,0]=4 369 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,0,0,0,0,0|4,0,0]=4 370 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,0,0,0,0,0|4,0,0]=4 371 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,0,0,0,0,0|4,0,0]=4 372 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,0,0,0,0,0|4,0,0]=4 373 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,0,0,0,0,0|4,0,0]=4 374 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,0,0,0,0,0|3,1,0]=4 375 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,0,0,0,0,0|3,1,0]=4 376 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,0,0,0,0,0|3,1,0]=4 377 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,0,0,0,0,0|3,1,0]=4 378 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,0,0,0,0,0|3,1,0]=4 379 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,0,0,0,0,0|3,1,0]=4 380 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,0,0,0,0,0|3,1,0]=4 381 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,0,0,0,0,0|3,1,0]=4 382 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,0,0,0,0,0|3,1,0]=4 383 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,0,0,0,0,0|3,1,0]=4 384 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,0,0,0,0,0|3,1,0]=4 385 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,0,0,0,0,0|3,1,0]=4 386 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,0,0,0,0,0|3,1,0]=4 387 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,0,0,0,0,0|3,1,0]=4 388 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,0,0,0,0,0|3,1,0]=4 389 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,0,0,0,0,0|3,1,0]=4 390 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,0,0,0,0,0|3,1,0]=4 391 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,0,0,0,0,0|3,1,0]=4 392 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,0,0,0,0,0|3,1,0]=4 393 B7R0.1 COCCSCC#N 62a_100000233755_100011215382 [0,0,0,0,0,0|3,0,1]=4 394 B7R0.1 COCCSCC#N 62a_100011215382_100000233755 [0,0,0,0,0,0|3,0,1]=4 395 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,0,0,0,0,0|3,0,1]=4 396 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,0,0,0,0,0|3,0,1]=4 397 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,0,0,0,0,0|3,0,0]=3 398 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,0,0,0,0,0|3,0,0]=3 399 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,0,0,0,0,0|3,0,0]=3 400 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,0,0,0,0,0|3,0,0]=3 401 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,0,0,0,0,0|3,0,0]=3 402 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,0,0,0,0,0|3,0,0]=3 403 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,0,0,0,0,0|3,0,0]=3 404 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,0,0,0,0,0|3,0,0]=3 405 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,0,0,0,0,0|4,0,0]=4 406 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,0,0,0,0,0|4,0,0]=4 407 B7R0.1 COCSCCC#N 62a_100000766300_100011215226 [0,0,0,0,0,0|3,0,1]=4 408 B7R0.1 COCSCCC#N 62a_100011215226_100000766300 [0,0,0,0,0,0|3,0,1]=4 409 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,0,0,0,0,0|3,0,0]=3 410 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,0,0,0,0,0|3,0,0]=3 411 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,0,0,0,0,0|3,0,0]=3 412 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,0,0,0,0,0|3,0,0]=3 413 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,0,0,0,0,0|3,0,0]=3 414 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,0,0,0,0,0|3,0,0]=3 415 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,0,0,0,0,0|4,0,0]=4 416 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,0,0,0,0,0|4,0,0]=4 417 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,0,0,0,0,0|4,0,0]=4 418 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,0,0,0,0,0|4,0,0]=4 419 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,0,0,0,0,0|4,0,0]=4 420 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,0,0,0,0,0|4,0,0]=4 421 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,0,0,0,0,0|4,0,0]=4 422 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,0,0,0,0,0|4,0,0]=4 423 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,0,0,0,0,0|4,0,0]=4 424 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,0,0,0,0,0|4,0,0]=4 425 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,0,0,0,0,0|4,0,0]=4 426 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,0,0,0,0,0|4,0,0]=4 427 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,0,0,0,0,0|3,1,0]=4 428 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,0,0,0,0,0|3,1,0]=4 429 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,0,0,0,0,0|3,1,0]=4 430 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,0,0,0,0,0|3,1,0]=4 431 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,0,0,0,0,0|3,1,0]=4 432 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,0,0,0,0,0|3,1,0]=4 433 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,0,0,0,0,0|3,1,0]=4 434 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,0,0,0,0,0|3,1,0]=4 435 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,0,0,0,0,0|3,1,0]=4 436 B7R0.1 CSCCSCC#N 62a_100000212216_100011215382 [0,0,0,0,0,0|3,0,1]=4 437 B7R0.1 CSCCSCC#N 62a_100011215382_100000751147 [0,0,0,0,0,0|3,0,1]=4 438 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,0,0,0,0,0|3,0,1]=4 439 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,0,0,0,0,0|3,0,1]=4 440 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,0,0,0,0,0|3,0,0]=3 441 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,0,0,0,0,0|3,0,0]=3 442 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,0,0,0,0,0|3,0,0]=3 443 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,0,0,0,0,0|3,0,0]=3 444 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [0,0,0,0,0,0|3,0,0]=3 445 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [0,0,0,0,0,0|3,0,0]=3 446 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,0,0,0,0,0|4,0,0]=4 447 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,0,0,0,0,0|4,0,0]=4 448 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,0,0,0,0,0|3,1,0]=4 449 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,0,0,0,0,0|3,1,0]=4 450 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,0,0,0,0,0|3,1,0]=4 451 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,0,0,0,0,0|3,1,0]=4 452 B7R0.1 CSCSCCC#N 62a_100011215226_100011218213 [0,0,0,0,0,0|3,0,1]=4 453 B7R0.1 CSCSCCC#N 62a_100011218213_100011215226 [0,0,0,0,0,0|3,0,1]=4 454 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,0,0,0,0,0|3,0,0]=3 455 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,0,0,0,0,0|3,0,0]=3 456 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,0,0,0,0,0|3,0,0]=3 457 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,0,0,0,0,0|3,0,0]=3 458 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,0,0,0,0,0|4,0,0]=4 459 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,0,0,0,0,0|4,0,0]=4 460 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,0,0,0,0,0|4,0,0]=4 461 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,0,0,0,0,0|3,1,0]=4 462 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,0,0,0,0,0|3,1,0]=4 463 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,0,0,0,0,0|3,0,0]=3 464 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,0,0,0,0,0|3,0,0]=3 465 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,0,0,0,0,0|3,1,0]=4 466 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,0,0,0,0,0|3,1,0]=4 467 B7R0.1 N#CCCSCCF 62a_100011215226_100011217306 [0,0,0,0,0,0|3,0,1]=4 468 B7R0.1 N#CCCSCCF 62a_100011217306_100011215226 [0,0,0,0,0,0|3,0,1]=4 469 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,0,0,0,0,0|3,0,1]=4 470 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,0,0,0,0,0|3,0,1]=4 471 B7R0.1 N#CCSCCCF 62a_100011215382_100011934791 [0,0,0,0,0,0|3,0,1]=4 472 B7R0.1 N#CCSCCCF 62a_100011934791_100011215382 [0,0,0,0,0,0|3,0,1]=4 473 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,0,0,0,0,0|3,0,1]=4 474 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,0,0,0,0,0|3,0,1]=4 475 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,0,0,0,0,0|3,1,0]=4 476 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,0,0,0,0,0|3,1,0]=4 477 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,0,0,0,0,0|3,1,0]=4 478 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,0,0,0,0,0|3,1,0]=4 479 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,0,0,0,0,0|3,0,1]=4 480 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,0,0,0,0,0|3,0,1]=4 481 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,0,0,0,0,0|3,0,1]=4 482 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,0,0,0,0,0|3,0,1]=4 483 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,0,0,0,0,0|4,0,0]=4 484 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,0,0,0,0,0|4,0,0]=4 485 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,0,0,0,0,0|4,0,0]=4 486 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,0,0,0,0,0|3,1,0]=4 487 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,0,0,0,0,0|3,0,0]=3 488 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,0,0,0,0,0|3,0,0]=3 489 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,0,0,0,0,0|3,0,0]=3 490 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,0,0,0,0,0|3,0,0]=3 491 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,0,0,0,0,0|4,0,0]=4 492 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,0,0,0,0,0|4,0,0]=4 493 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,0,0,0,0,0|4,0,0]=4 494 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,0,0,0,0,0|4,0,0]=4 495 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,0,0,0,0,0|3,1,0]=4 496 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,0,0,0,0,0|3,1,0]=4 497 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,0,0,0,0,0|3,1,0]=4 498 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,0,0,0,0,0|3,0,0]=3 499 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,0,0,0,0,0|3,0,0]=3 500 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,0,0,0,0,0|4,0,0]=4 501 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,0,0,0,0,0|4,0,0]=4 502 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,0,0,0,0,0|3,1,0]=4 503 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,0,0,0,0,0|3,1,0]=4 504 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,0,0,0,0,0|3,0,0]=3 505 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,0,0,0,0,0|4,0,0]=4 506 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,0,0,0,0,0|4,0,0]=4 507 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,0,0,0,0,0|4,0,0]=4 508 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,0,0,0,0,0|4,0,0]=4 509 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,0,0,0,0,0|4,0,0]=4 510 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,0,0,0,0,0|4,0,0]=4 511 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,0,0,0,0,0|4,0,0]=4 512 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,0,0,0,0,0|3,1,0]=4 513 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,0,0,0,0,0|3,1,0]=4 514 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,0,0,0,0,0|3,1,0]=4 515 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,0,0,0,0,0|3,1,0]=4 516 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,0,0,0,0,0|3,1,0]=4 517 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,0,0,0,0,0|3,1,0]=4 518 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,0,0,0,0,0|3,1,0]=4 519 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,0,0,0,0,0|3,1,0]=4 520 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,0,0,0,0,0|3,1,0]=4 521 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,0,0,0,0,0|4,0,0]=4 522 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,0,0,0,0,0|4,0,0]=4 523 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,0,0,0,0,0|4,0,0]=4 524 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,0,0,0,0,0|4,0,0]=4 525 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,0,0,0,0,0|3,1,0]=4 526 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,0,0,0,0,0|3,1,0]=4 527 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,0,0,0,0,0|1,0,2]=4 528 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,0,0,0,0,0|1,0,2]=4 529 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [1,0,0,0,0,0|1,0,2]=4 530 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [1,0,0,0,0,0|0,1,2]=4 531 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [1,0,0,0,0,0|0,1,2]=4 532 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [1,0,0,0,0,0|0,0,2]=3 533 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [1,0,0,0,0,0|1,0,2]=4 534 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [1,0,0,0,0,0|1,0,2]=4 535 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [1,0,0,0,0,0|1,0,2]=4 536 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [1,0,0,0,0,0|1,0,2]=4 537 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|1,0,2]=4 538 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|1,0,2]=4 539 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|1,0,2]=4 540 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|1,0,2]=4 541 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|1,0,2]=4 542 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|0,1,2]=4 543 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|0,1,2]=4 544 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|0,0,2]=3 545 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|0,0,2]=3 546 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,0,0,0,0,0|1,0,2]=4 547 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,0,0,0,0,0|1,0,2]=4 548 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,0,0,0,0|1,0,2]=4 549 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,0,0,0,0|1,0,2]=4 550 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [1,0,0,0,0,0|1,0,2]=4 551 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [1,0,0,0,0,0|1,0,2]=4 552 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,0,0,0,0,0|1,0,2]=4 553 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,0,0,0,0,0|1,0,2]=4 554 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [1,0,0,0,0,0|1,0,2]=4 555 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [1,0,0,0,0,0|1,0,2]=4 556 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 557 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|2,0,1]=4 558 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 559 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|2,0,1]=4 560 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|2,0,1]=4 561 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|2,0,1]=4 562 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|2,0,1]=4 563 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|2,0,1]=4 564 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|2,0,1]=4 566 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|1,0,2]=4 567 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|1,0,2]=4 568 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|2,0,1]=4 569 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [1,0,0,0,0,0|2,0,1]=4 570 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [1,0,0,0,0,0|2,0,1]=4 571 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [1,0,0,0,0,0|2,0,1]=4 572 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [1,0,0,0,0,0|2,0,1]=4 573 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [1,0,0,0,0,0|2,0,1]=4 574 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [1,0,0,0,0,0|2,0,1]=4 575 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [1,0,0,0,0,0|2,0,1]=4 576 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [1,0,0,0,0,0|2,0,1]=4 577 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [1,0,0,0,0,0|2,0,1]=4 578 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [1,0,0,0,0,0|2,0,1]=4 579 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,0,0,0,0|2,0,1]=4 580 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|2,0,0]=3 581 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|2,0,0]=3 582 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|2,0,0]=3 583 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|2,0,0]=3 584 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|2,0,0]=3 585 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|2,0,0]=3 586 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|2,0,0]=3 587 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|2,0,0]=3 588 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|2,0,0]=3 589 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|2,0,0]=3 590 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|2,0,0]=3 591 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|2,0,0]=3 592 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|2,0,0]=3 593 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|2,0,0]=3 594 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|2,0,0]=3 595 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|2,0,0]=3 596 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|2,0,0]=3 597 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|3,0,0]=4 598 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|1,1,0]=3 599 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|1,1,0]=3 600 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|1,1,0]=3 601 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,1,0]=4 602 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,1,0]=4 603 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|1,0,0]=2 604 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|1,0,0]=2 605 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,0,0]=3 606 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,0,0]=3 607 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,0,0,0,0|2,0,0]=3 608 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|2,0,0]=3 609 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|2,0,0]=3 610 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|1,1,1]=4 611 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|1,1,0]=3 612 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|0,1,0]=2 613 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|1,1,0]=3 614 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|1,1,0]=3 615 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|1,1,0]=3 616 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|1,1,0]=3 617 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [1,0,0,0,0,0|1,0,1]=3 618 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [1,0,0,0,0,0|1,0,1]=3 619 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|1,0,1]=3 620 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|1,0,1]=3 621 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|0,0,0]=1 622 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|1,0,0]=2 623 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|1,0,0]=2 624 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,0,0]=2 625 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,0,0]=2 626 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|1,0,0]=2 627 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|1,0,0]=2 628 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|1,0,0]=2 629 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|1,0,0]=2 630 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|3,0,0]=4 631 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|3,0,0]=4 632 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|3,0,0]=4 633 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|3,0,0]=4 634 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|3,0,0]=4 635 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|3,0,0]=4 636 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|3,0,0]=4 637 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|3,0,0]=4 638 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|2,1,0]=4 639 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|2,1,0]=4 640 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|2,1,0]=4 641 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|2,1,0]=4 642 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|2,1,0]=4 643 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|2,1,0]=4 644 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|2,1,0]=4 645 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|2,1,0]=4 646 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|2,1,0]=4 647 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|2,1,0]=4 648 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|2,1,0]=4 649 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|2,1,0]=4 650 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|2,1,0]=4 651 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|2,1,0]=4 652 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|2,1,0]=4 653 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|2,1,0]=4 654 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|2,1,0]=4 655 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|2,1,0]=4 656 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|2,1,0]=4 657 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|2,1,0]=4 658 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|2,1,0]=4 659 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|2,1,0]=4 660 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|2,1,0]=4 661 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|2,1,0]=4 662 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|2,1,0]=4 663 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|2,1,0]=4 664 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|2,1,0]=4 665 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|2,0,0]=3 666 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|2,0,0]=3 667 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,0,0,0,0,0|3,0,0]=4 668 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,0,0,0,0,0|3,0,0]=4 669 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,0,0,0,0,0|2,0,1]=4 670 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,0,0,0,0,0|2,0,1]=4 671 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|2,0,0]=3 672 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|2,0,0]=3 673 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|2,0,0]=3 674 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|2,0,0]=3 675 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|2,0,0]=3 676 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|2,0,0]=3 677 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|2,0,0]=3 678 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|2,0,0]=3 679 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|2,0,0]=3 680 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|2,0,0]=3 681 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|2,0,0]=3 682 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|2,0,0]=3 683 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|2,0,0]=3 684 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|2,0,0]=3 685 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|2,0,0]=3 686 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|2,0,0]=3 687 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|2,0,0]=3 688 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|2,0,0]=3 689 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|2,0,0]=3 690 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|2,0,0]=3 691 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|2,0,0]=3 692 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|2,0,0]=3 693 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,0,0,0,0|3,0,0]=4 694 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,0,0,0,0|3,0,0]=4 695 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,0,0,0,0|3,0,0]=4 696 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,0,0,0,0|3,0,0]=4 697 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,0,0,0,0|3,0,0]=4 698 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,0,0,0,0|3,0,0]=4 699 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,0,0,0,0|3,0,0]=4 700 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,0,0,0,0|3,0,0]=4 701 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,0,0,0,0,0|3,0,0]=4 702 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 703 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,0,0,0,0,0|3,0,0]=4 704 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,0,0,0,0,0|3,0,0]=4 705 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,0,0,0,0,0|3,0,0]=4 706 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 707 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,0,0,0,0|3,0,0]=4 708 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,0,0,0,0|3,0,0]=4 709 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,0,0,0,0|3,0,0]=4 710 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,0,0,0,0|3,0,0]=4 711 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,0,0,0,0|3,0,0]=4 712 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,0,0,0,0|3,0,0]=4 713 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,0,0,0,0|3,0,0]=4 714 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,0,0,0,0|3,0,0]=4 715 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,0,0,0,0|3,0,0]=4 716 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|3,0,0]=4 717 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,0,0,0,0,0|3,0,0]=4 718 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,0,0,0,0,0|3,0,0]=4 719 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,0,0,0,0,0|3,0,0]=4 720 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,0,0,0,0,0|3,0,0]=4 721 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,0,0,0,0,0|3,0,0]=4 722 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,0,0,0,0,0|3,0,0]=4 723 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,0,0,0,0,0|3,0,0]=4 724 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,0,0,0,0,0|3,0,0]=4 725 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,0,0,0,0,0|3,0,0]=4 726 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,0,0,0,0,0|3,0,0]=4 727 B6R0.6 COCCSCF 62a_100000233755_100015361967 [1,0,0,0,0,0|3,0,0]=4 728 B6R0.6 COCCSCF 62a_100015361967_100000233755 [1,0,0,0,0,0|3,0,0]=4 729 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,0,0,0,0,0|3,0,0]=4 730 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [1,0,0,0,0,0|2,0,1]=4 731 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [1,0,0,0,0,0|2,0,1]=4 732 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,0,0,0,0|2,0,1]=4 733 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,0,0,0,0|2,0,1]=4 734 B6R0.6 COCSCCF 62a_100000766300_100011217306 [1,0,0,0,0,0|2,0,0]=3 735 B6R0.6 COCSCCF 62a_100011217306_100000766300 [1,0,0,0,0,0|2,0,0]=3 736 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,0,0,0,0,0|2,0,0]=3 737 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,0,0,0,0,0|2,0,0]=3 738 B6R0.6 COCSCOC 62a_100000766300_100000766300 [1,0,0,0,0,0|2,0,0]=3 739 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,0,0,0,0,0|2,0,0]=3 740 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,0,0,0,0,0|2,0,0]=3 741 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|3,0,0]=4 742 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|3,0,0]=4 743 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|3,0,0]=4 744 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|3,0,0]=4 745 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,0,0,0,0|3,0,0]=4 746 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,0,0,0,0,0|3,0,0]=4 747 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,0,0,0,0,0|3,0,0]=4 748 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,0,0,0,0,0|3,0,0]=4 749 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,0,0,0,0,0|3,0,0]=4 750 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [1,0,0,0,0,0|3,0,0]=4 751 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,0,0,0,0|3,0,0]=4 752 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,0,0,0,0|3,0,0]=4 753 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [1,0,0,0,0,0|2,1,0]=4 754 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,0,0,0,0,0|2,1,0]=4 755 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [1,0,0,0,0,0|2,0,1]=4 756 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [1,0,0,0,0,0|2,0,1]=4 757 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,0,0,0,0|2,0,1]=4 758 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,0,0,0,0|2,0,1]=4 759 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [1,0,0,0,0,0|2,0,0]=3 760 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [1,0,0,0,0,0|2,0,0]=3 761 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,0,0,0,0|2,0,0]=3 762 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,0,0,0,0|2,0,0]=3 763 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [1,0,0,0,0,0|2,0,0]=3 764 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [1,0,0,0,0,0|3,0,0]=4 765 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [1,0,0,0,0,0|3,0,0]=4 766 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [1,0,0,0,0,0|3,0,0]=4 767 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [1,0,0,0,0,0|2,1,0]=4 768 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [1,0,0,0,0,0|2,0,0]=3 769 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [1,0,0,0,0,0|2,0,1]=4 770 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [1,0,0,0,0,0|2,0,1]=4 771 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [1,0,0,0,0,0|2,0,1]=4 772 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [1,0,0,0,0,0|2,0,1]=4 773 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [1,0,0,0,0,0|2,1,0]=4 774 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,0,0,0,0|2,1,0]=4 775 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,0,0,0,0|2,0,1]=4 776 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,0,0,0,0|2,0,1]=4 777 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|2,0,1]=4 778 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|2,0,1]=4 779 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,0,0,0,0|3,0,0]=4 780 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,0,0,0,0|3,0,0]=4 781 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,0,0,0,0,0|3,0,0]=4 782 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,0,0,0,0,0|3,0,0]=4 783 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,0,0,0,0,0|3,0,0]=4 784 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,0,0,0,0|3,0,0]=4 785 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,0,0,0,0|3,0,0]=4 786 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,0,0,0,0,0|2,1,0]=4 787 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,0,0,0,0,0|2,0,0]=3 788 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,0,0,0,0,0|2,0,0]=3 789 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,0,0,0,0|2,0,0]=3 790 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,0,0,0,0|3,0,0]=4 791 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,0,0,0,0|3,0,0]=4 792 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,0,0,0,0|3,0,0]=4 793 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,0,0,0,0|3,0,0]=4 794 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,0,0,0,0|3,0,0]=4 795 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,0,0,0,0|3,0,0]=4 796 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,0,0,0,0|3,0,0]=4 797 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,0,0,0,0|3,0,0]=4 798 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,0,0,0,0|3,0,0]=4 799 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|3,0,0]=4 800 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|3,0,0]=4 801 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|3,0,0]=4 802 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|3,0,0]=4 803 B8R0.1 C#CCSC(C)CCC 62a_100000038162_100000766640 [0,1,0,0,0,0|1,0,2]=4 804 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,1,0,0,0,0|1,0,2]=4 805 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,1,0,0,0,0|1,0,2]=4 806 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [0,1,0,0,0,0|3,0,0]=4 807 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [0,1,0,0,0,0|3,0,0]=4 808 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,1,0,0,0,0|3,0,0]=4 810 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,1,0,0,0,0|3,0,0]=4 813 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|3,0,0]=4 814 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|3,0,0]=4 815 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|3,0,0]=4 816 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|3,0,0]=4 817 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|3,0,0]=4 818 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|3,0,0]=4 819 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,0,0,0,0|3,0,0]=4 820 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|3,0,0]=4 821 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,0,0,0,0|3,0,0]=4 822 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,0,0,0,0|3,0,0]=4 823 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,0,0,0,0|3,0,0]=4 824 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 825 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 826 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|3,0,0]=4 830 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,0,0,0,0|3,0,0]=4 831 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|2,1,0]=4 832 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|2,1,0]=4 833 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|2,1,0]=4 834 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|2,1,0]=4 835 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|2,1,0]=4 836 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,1,0,0,0,0|3,0,0]=4 837 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,1,0,0,0,0|3,0,0]=4 840 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,1,0,0,0,0|3,0,0]=4 841 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,1,0,0,0,0|3,0,0]=4 842 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,0,0,0,0|3,0,0]=4 843 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,0,0,0,0|3,0,0]=4 844 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,1,0,0,0,0|3,0,0]=4 847 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,1,0,0,0,0|3,0,0]=4 849 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,1,0,0,0,0|3,0,0]=4 850 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,1,0,0,0,0|3,0,0]=4 851 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,1,0,0,0,0|3,0,0]=4 852 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [0,1,0,0,0,0|3,0,0]=4 854 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,1,0,0,0,0|3,0,0]=4 855 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,1,0,0,0,0|2,1,0]=4 856 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,1,0,0,0,0|2,1,0]=4 857 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,1,0,0,0,0|2,1,0]=4 858 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,1,0,0,0,0|2,1,0]=4 859 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,0,0,0,0|2,1,0]=4 860 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,0,0,0,0|2,1,0]=4 861 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,1,0,0,0,0|2,1,0]=4 862 B8R0.1 CCCC(C)SCC#N 62a_100000766640_100011215382 [0,1,0,0,0,0|2,0,1]=4 863 B8R0.1 CCCC(C)SCC#N 62a_100011215382_100000766640 [0,1,0,0,0,0|2,0,1]=4 864 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,1,0,0,0,0|2,0,1]=4 865 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,1,0,0,0,0|2,0,1]=4 866 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,1,0,0,0,0|2,0,0]=3 867 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,1,0,0,0,0|2,0,0]=3 868 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,1,0,0,0,0|2,0,0]=3 869 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,1,0,0,0,0|2,0,0]=3 870 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,1,0,0,0,0|2,0,0]=3 871 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,1,0,0,0,0|2,0,0]=3 872 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,1,0,0,0,0|2,0,0]=3 873 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,1,0,0,0,0|2,0,0]=3 874 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|2,0,0]=3 875 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|2,0,0]=3 876 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|3,0,0]=4 877 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|3,0,0]=4 878 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|3,0,0]=4 879 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|3,0,0]=4 880 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|3,0,0]=4 881 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|3,0,0]=4 882 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|3,0,0]=4 883 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,1,0,0,0,0|3,0,0]=4 886 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,1,0,0,0,0|3,0,0]=4 888 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,1,0,0,0,0|3,0,0]=4 889 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,1,0,0,0,0|3,0,0]=4 890 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,1,0,0,0,0|3,0,0]=4 891 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|3,0,0]=4 892 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|3,0,0]=4 893 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|3,0,0]=4 894 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,1,0,0,0,0|3,0,0]=4 896 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,1,0,0,0,0|2,0,0]=3 898 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,1,0,0,0,0|2,0,0]=3 899 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,1,0,0,0,0|2,0,0]=3 900 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,1,0,0,0,0|2,0,0]=3 901 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,1,0,0,0,0|2,0,0]=3 902 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,1,0,0,0,0|3,0,0]=4 904 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,1,0,0,0,0|3,0,0]=4 905 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,1,0,0,0,0|3,0,0]=4 906 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,1,0,0,0,0|3,0,0]=4 907 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,1,0,0,0,0|3,0,0]=4 908 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,1,0,0,0,0|3,0,0]=4 909 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,1,0,0,0,0|3,0,0]=4 910 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,1,0,0,0,0|3,0,0]=4 911 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,1,0,0,0,0|3,0,0]=4 912 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,1,0,0,0,0|3,0,0]=4 913 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,1,0,0,0,0|3,0,0]=4 914 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,1,0,0,0,0|2,0,0]=3 915 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,1,0,0,0,0|2,0,0]=3 916 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,1,0,0,0,0|3,0,0]=4 917 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,1,0,0,0,0|3,0,0]=4 918 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,1,0,0,0,0|3,0,0]=4 919 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,1,0,0,0,0|3,0,0]=4 920 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,1,0,0,0,0|3,0,0]=4 921 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,1,0,0,0,0|3,0,0]=4 922 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 923 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,1,0,0,0,0|3,0,0]=4 924 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 925 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,1,0,0,0,0|3,0,0]=4 930 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,1,0,0,0,0|3,0,0]=4 931 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,1,0,0,0,0|3,0,0]=4 932 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,1,0,0,0,0|3,0,0]=4 934 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 935 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,1,0,0,0,0|3,0,0]=4 936 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,1,0,0,0,0|3,0,0]=4 937 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,1,0,0,0,0|3,0,0]=4 938 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,1,0,0,0,0|3,0,0]=4 939 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 940 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 941 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 942 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 943 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|3,0,0]=4 944 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|3,0,0]=4 945 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|3,0,0]=4 946 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|3,0,0]=4 947 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|3,0,0]=4 948 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|3,0,0]=4 949 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 950 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 951 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 952 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|3,0,0]=4 953 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|3,0,0]=4 954 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 955 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 956 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 957 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,0,0,0,0|3,0,0]=4 958 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,0,0,0,0|3,0,0]=4 959 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,0,0,0,0|3,0,0]=4 960 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,0,0,0,0|3,0,0]=4 961 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,0,0,0,0|3,0,0]=4 962 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 963 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 964 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 965 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 966 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 967 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 968 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,1,0,0,0,0|2,0,0]=3 969 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,1,0,0,0,0|2,0,0]=3 970 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,1,0,0,0,0|3,0,0]=4 971 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,1,0,0,0,0|3,0,0]=4 972 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,1,0,0,0,0|3,0,0]=4 973 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,1,0,0,0,0|3,0,0]=4 974 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,1,0,0,0,0|3,0,0]=4 975 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|2,1,0]=4 976 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|2,1,0]=4 977 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|2,1,0]=4 978 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|2,1,0]=4 979 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|2,1,0]=4 980 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|2,1,0]=4 981 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|2,1,0]=4 982 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|2,1,0]=4 983 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,1,0,0,0,0|2,1,0]=4 984 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,0,0,0,0|1,1,0]=3 985 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,0,0,0,0|1,1,0]=3 986 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,0,0,0,0|1,1,0]=3 987 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,0,0,0,0|2,1,0]=4 988 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,1,0,0,0,0|2,1,0]=4 989 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,1,0,0,0,0|2,1,0]=4 990 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,1,0,0,0,0|2,1,0]=4 991 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,1,0,0,0,0|2,1,0]=4 992 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,0,0,0,0|2,1,0]=4 993 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,0,0,0,0|2,1,0]=4 994 B8R0.1 CCCSC(C)CC#N 62a_100000210303_100009813641 [0,1,0,0,0,0|2,0,1]=4 995 B8R0.1 CCCSC(C)CC#N 62a_100009813641_100000210303 [0,1,0,0,0,0|2,0,1]=4 996 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,1,0,0,0,0|1,0,0]=2 997 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,1,0,0,0,0|1,0,0]=2 998 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,1,0,0,0,0|2,0,0]=3 999 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,1,0,0,0,0|2,0,0]=3 1000 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,1,0,0,0,0|2,0,0]=3 1001 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,1,0,0,0,0|2,0,0]=3 1002 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,1,0,0,0,0|3,0,0]=4 1003 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,1,0,0,0,0|3,0,0]=4 1004 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,0,0,0,0|3,0,0]=4 1005 B8R0.1 COCC(C)SCCF 62a_100000765312_100011217306 [0,1,0,0,0,0|3,0,0]=4 1006 B8R0.1 COCC(C)SCCF 62a_100011217306_100000765312 [0,1,0,0,0,0|3,0,0]=4 1007 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [0,1,0,0,0,0|3,0,0]=4 1008 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [0,1,0,0,0,0|3,0,0]=4 1009 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [0,1,0,0,0,0|3,0,0]=4 1010 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [0,1,0,0,0,0|3,0,0]=4 1011 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [0,1,0,0,0,0|3,0,0]=4 1012 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [0,1,0,0,0,0|3,0,0]=4 1013 B8R0.1 COCSC(C)COC 62a_100000765312_100000766300 [0,1,0,0,0,0|3,0,0]=4 1014 B8R0.1 COCSC(C)COC 62a_100000766300_100000765312 [0,1,0,0,0,0|3,0,0]=4 1015 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [0,1,0,0,0,0|3,0,0]=4 1016 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [0,1,0,0,0,0|3,0,0]=4 1017 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [0,1,0,0,0,0|2,0,1]=4 1018 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [0,1,0,0,0,0|1,1,1]=4 1019 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [0,1,0,0,0,0|1,1,1]=4 1020 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [0,1,0,0,0,0|1,1,1]=4 1021 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,1,0,0,0,0|1,0,1]=3 1022 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,1,0,0,0,0|1,0,1]=3 1023 B8R0.4 C#CCCCSCCF 62a_100011215417_100011217306 [0,1,0,0,0,0|2,0,1]=4 1024 B8R0.4 C#CCCCSCCF 62a_100011217306_100011215417 [0,1,0,0,0,0|2,0,1]=4 1025 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [0,1,0,0,0,0|2,0,1]=4 1026 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [0,1,0,0,0,0|2,0,1]=4 1027 B8R0.4 C#CCCCSCOC 62a_100000766300_100011215417 [0,1,0,0,0,0|2,0,1]=4 1028 B8R0.4 C#CCCCSCOC 62a_100011215417_100000766300 [0,1,0,0,0,0|2,0,1]=4 1029 B8R0.4 C#CCCCSCSC 62a_100011215417_100011218213 [0,1,0,0,0,0|2,0,1]=4 1030 B8R0.4 C#CCCCSCSC 62a_100011218213_100011215417 [0,1,0,0,0,0|2,0,1]=4 1031 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [0,1,0,0,0,0|2,0,1]=4 1032 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [0,1,0,0,0,0|2,0,1]=4 1033 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [0,1,0,0,0,0|2,0,1]=4 1034 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [0,1,0,0,0,0|1,1,1]=4 1035 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [0,1,0,0,0,0|1,1,1]=4 1036 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [0,1,0,0,0,0|1,1,1]=4 1037 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [0,1,0,0,0,0|1,0,1]=3 1038 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [0,1,0,0,0,0|1,0,1]=3 1039 B8R0.4 C#CCCSCCCF 62a_100000688953_100011934791 [0,1,0,0,0,0|1,0,2]=4 1040 B8R0.4 C#CCCSCCCF 62a_100011934791_100000688953 [0,1,0,0,0,0|1,0,2]=4 1041 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [0,1,0,0,0,0|1,0,2]=4 1042 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [0,1,0,0,0,0|1,0,2]=4 1043 B8R0.4 C#CCCSCCOC 62a_100000233755_100000688953 [0,1,0,0,0,0|1,0,2]=4 1044 B8R0.4 C#CCCSCCOC 62a_100000688953_100000233755 [0,1,0,0,0,0|1,0,2]=4 1045 B8R0.4 C#CCCSCCSC 62a_100000212216_100000688953 [0,1,0,0,0,0|1,0,2]=4 1046 B8R0.4 C#CCCSCCSC 62a_100000688953_100000751147 [0,1,0,0,0,0|1,0,2]=4 1047 B8R0.4 C#CCCSCOCC 62a_100000688953_100000739092 [0,1,0,0,0,0|1,0,2]=4 1048 B8R0.4 C#CCCSCOCC 62a_100000739092_100000688953 [0,1,0,0,0,0|1,0,2]=4 1049 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [0,1,0,0,0,0|1,0,2]=4 1050 B8R0.4 C#CCSCCCCF 62a_100000038162_100000729493 [0,1,0,0,0,0|1,0,2]=4 1051 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [0,1,0,0,0,0|1,0,2]=4 1052 B8R0.4 C#CCSCCCOC 62a_100000038162_100000709357 [0,1,0,0,0,0|1,0,2]=4 1053 B8R0.4 C#CCSCCOCC 62a_100000038162_100011215890 [0,1,0,0,0,0|1,0,2]=4 1054 B8R0.4 C#CCSCCSCC 62a_100000038162_100000757381 [0,1,0,0,0,0|1,0,2]=4 1055 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,1,0,0,0,0|1,1,1]=4 1056 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,1,0,0,0,0|2,0,1]=4 1057 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,1,0,0,0,0|1,1,1]=4 1058 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,1,0,0,0,0|1,1,1]=4 1059 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,1,0,0,0,0|1,1,1]=4 1060 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,1,0,0,0,0|1,0,1]=3 1061 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,1,0,0,0,0|1,0,1]=3 1062 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [0,1,0,0,0,0|1,0,2]=4 1063 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [0,1,0,0,0,0|1,0,2]=4 1064 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,1,0,0,0,0|1,0,2]=4 1065 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,1,0,0,0,0|1,0,2]=4 1066 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [0,1,0,0,0,0|1,0,2]=4 1067 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [0,1,0,0,0,0|1,0,2]=4 1068 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [0,1,0,0,0,0|1,0,2]=4 1069 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [0,1,0,0,0,0|1,0,2]=4 1070 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [0,1,0,0,0,0|1,0,2]=4 1071 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [0,1,0,0,0,0|1,0,2]=4 1072 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,1,0,0,0,0|2,0,1]=4 1073 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,1,0,0,0,0|2,0,1]=4 1074 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,1,0,0,0,0|1,1,1]=4 1075 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,1,0,0,0,0|1,1,1]=4 1076 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,1,0,0,0,0|1,1,1]=4 1077 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,1,0,0,0,0|1,0,1]=3 1078 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,1,0,0,0,0|1,0,1]=3 1079 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,1,0,0,0,0|2,0,1]=4 1080 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,1,0,0,0,0|2,0,1]=4 1081 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,1,0,0,0,0|2,0,1]=4 1082 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,1,0,0,0,0|2,0,1]=4 1083 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,1,0,0,0,0|2,0,1]=4 1084 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,1,0,0,0,0|2,0,1]=4 1085 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,1,0,0,0,0|2,0,1]=4 1086 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,1,0,0,0,0|2,0,1]=4 1087 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,1,0,0,0,0|2,0,1]=4 1088 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,1,0,0,0,0|2,0,1]=4 1089 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,1,0,0,0,0|2,0,1]=4 1090 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,1,0,0,0,0|1,1,1]=4 1091 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,1,0,0,0,0|1,1,1]=4 1092 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,1,0,0,0,0|1,1,1]=4 1093 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,1,0,0,0,0|1,0,1]=3 1094 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,1,0,0,0,0|1,0,1]=3 1095 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,1,0,0,0,0|1,0,2]=4 1096 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,1,0,0,0,0|1,0,2]=4 1097 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,1,0,0,0,0|1,0,2]=4 1098 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,1,0,0,0,0|1,0,2]=4 1099 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,1,0,0,0,0|1,0,2]=4 1100 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,1,0,0,0,0|1,0,2]=4 1101 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,1,0,0,0,0|1,0,2]=4 1102 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,1,0,0,0,0|1,0,2]=4 1103 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [0,1,0,0,0,0|1,0,2]=4 1104 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [0,1,0,0,0,0|1,0,2]=4 1105 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,1,0,0,0,0|1,0,2]=4 1106 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,1,0,0,0,0|1,0,2]=4 1107 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,1,0,0,0,0|1,0,2]=4 1108 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,1,0,0,0,0|1,0,2]=4 1109 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,1,0,0,0,0|1,0,2]=4 1110 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,1,0,0,0,0|1,0,2]=4 1111 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,1,0,0,0,0|1,0,2]=4 1112 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,1,0,0,0,0|1,0,2]=4 1113 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [0,1,0,0,0,0|1,0,2]=4 1114 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [0,1,0,0,0,0|1,0,2]=4 1115 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [0,1,0,0,0,0|1,0,2]=4 1116 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [0,1,0,0,0,0|1,0,2]=4 1117 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,1,0,0,0,0|1,0,2]=4 1118 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,1,0,0,0,0|1,0,2]=4 1119 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [0,1,0,0,0,0|1,1,1]=4 1120 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [0,1,0,0,0,0|2,0,1]=4 1121 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [0,1,0,0,0,0|2,0,1]=4 1122 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [0,1,0,0,0,0|2,0,1]=4 1123 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [0,1,0,0,0,0|2,0,1]=4 1124 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [0,1,0,0,0,0|1,1,1]=4 1125 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [0,1,0,0,0,0|1,1,1]=4 1126 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [0,1,0,0,0,0|1,1,1]=4 1127 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [0,1,0,0,0,0|1,0,1]=3 1128 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [0,1,0,0,0,0|1,0,1]=3 1129 B8R0.4 CC#CCSCCCF 62a_100000748600_100011934791 [0,1,0,0,0,0|1,0,2]=4 1130 B8R0.4 CC#CCSCCCF 62a_100011934791_100000748600 [0,1,0,0,0,0|1,0,2]=4 1131 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [0,1,0,0,0,0|1,0,2]=4 1132 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [0,1,0,0,0,0|1,0,2]=4 1133 B8R0.4 CC#CCSCCOC 62a_100000233755_100000748600 [0,1,0,0,0,0|1,0,2]=4 1134 B8R0.4 CC#CCSCCOC 62a_100000748600_100000233755 [0,1,0,0,0,0|1,0,2]=4 1135 B8R0.4 CC#CCSCCSC 62a_100000212216_100000748600 [0,1,0,0,0,0|1,0,2]=4 1136 B8R0.4 CC#CCSCCSC 62a_100000748600_100000751147 [0,1,0,0,0,0|1,0,2]=4 1137 B8R0.4 CC#CCSCOCC 62a_100000739092_100000748600 [0,1,0,0,0,0|1,0,2]=4 1138 B8R0.4 CC#CCSCOCC 62a_100000748600_100000739092 [0,1,0,0,0,0|1,0,2]=4 1139 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [0,1,0,0,0,0|2,0,1]=4 1140 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [0,1,0,0,0,0|2,0,1]=4 1141 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [0,1,0,0,0,0|2,0,1]=4 1142 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [0,1,0,0,0,0|2,0,1]=4 1143 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [0,1,0,0,0,0|2,0,1]=4 1144 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [0,1,0,0,0,0|2,0,1]=4 1145 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [0,1,0,0,0,0|2,0,1]=4 1146 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [0,1,0,0,0,0|2,0,1]=4 1147 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [0,1,0,0,0,0|2,0,1]=4 1148 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [0,1,0,0,0,0|2,0,1]=4 1149 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [0,1,0,0,0,0|1,1,1]=4 1150 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [0,1,0,0,0,0|1,1,1]=4 1151 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [0,1,0,0,0,0|1,0,1]=3 1152 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [0,1,0,0,0,0|1,0,1]=3 1153 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [0,1,0,0,0,0|2,0,1]=4 1154 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [0,1,0,0,0,0|2,0,1]=4 1155 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [0,1,0,0,0,0|2,0,1]=4 1156 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [0,1,0,0,0,0|2,0,1]=4 1157 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [0,1,0,0,0,0|2,0,1]=4 1158 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [0,1,0,0,0,0|2,0,1]=4 1159 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [0,1,0,0,0,0|2,0,1]=4 1160 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [0,1,0,0,0,0|2,0,1]=4 1161 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,1,0,0,0,0|2,0,1]=4 1162 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,1,0,0,0,0|2,0,1]=4 1163 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,1,0,0,0,0|1,1,1]=4 1164 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,1,0,0,0,0|1,1,1]=4 1165 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,1,0,0,0,0|1,0,1]=3 1166 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,1,0,0,0,0|1,0,1]=3 1167 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [0,1,0,0,0,0|1,0,2]=4 1168 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [0,1,0,0,0,0|1,0,2]=4 1169 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,1,0,0,0,0|1,0,2]=4 1170 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,1,0,0,0,0|1,0,2]=4 1171 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [0,1,0,0,0,0|1,0,2]=4 1172 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [0,1,0,0,0,0|1,0,2]=4 1173 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [0,1,0,0,0,0|1,0,2]=4 1174 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [0,1,0,0,0,0|1,0,2]=4 1175 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [0,1,0,0,0,0|1,0,2]=4 1176 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [0,1,0,0,0,0|1,0,2]=4 1177 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [0,1,0,0,0,0|2,0,1]=4 1178 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [0,1,0,0,0,0|2,0,1]=4 1179 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [0,1,0,0,0,0|1,1,1]=4 1180 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [0,1,0,0,0,0|1,1,1]=4 1181 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [0,1,0,0,0,0|1,0,1]=3 1182 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [0,1,0,0,0,0|1,0,1]=3 1183 B8R0.4 CCC#CCSCCF 62a_100009813939_100011217306 [0,1,0,0,0,0|2,0,1]=4 1184 B8R0.4 CCC#CCSCCF 62a_100011217306_100009813939 [0,1,0,0,0,0|2,0,1]=4 1185 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [0,1,0,0,0,0|2,0,1]=4 1186 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [0,1,0,0,0,0|2,0,1]=4 1187 B8R0.4 CCC#CCSCOC 62a_100000766300_100009813939 [0,1,0,0,0,0|2,0,1]=4 1188 B8R0.4 CCC#CCSCOC 62a_100009813939_100000766300 [0,1,0,0,0,0|2,0,1]=4 1189 B8R0.4 CCC#CCSCSC 62a_100009813939_100011218213 [0,1,0,0,0,0|2,0,1]=4 1190 B8R0.4 CCC#CCSCSC 62a_100011218213_100009813939 [0,1,0,0,0,0|2,0,1]=4 1191 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [0,1,0,0,0,0|2,0,0]=3 1192 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [0,1,0,0,0,0|2,0,0]=3 1193 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [0,1,0,0,0,0|3,0,0]=4 1194 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [0,1,0,0,0,0|3,0,0]=4 1195 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [0,1,0,0,0,0|2,0,1]=4 1196 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [0,1,0,0,0,0|2,0,0]=3 1197 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [0,1,0,0,0,0|2,0,0]=3 1198 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [0,1,0,0,0,0|2,0,0]=3 1199 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [0,1,0,0,0,0|2,0,0]=3 1200 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [0,1,0,0,0,0|2,0,0]=3 1201 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [0,1,0,0,0,0|2,0,0]=3 1202 B8R0.4 CCCC#CCOCF 34a_100000034806_100015361967 [0,1,0,0,0,0|3,0,0]=4 1203 B8R0.4 CCCC#CCOCF 7a_100000034806_100015361967 [0,1,0,0,0,0|3,0,0]=4 1204 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [0,1,0,0,0,0|2,0,1]=4 1205 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [0,1,0,0,0,0|2,0,1]=4 1206 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [0,1,0,0,0,0|2,0,1]=4 1207 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [0,1,0,0,0,0|2,0,1]=4 1208 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [0,1,0,0,0,0|2,0,0]=3 1209 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [0,1,0,0,0,0|3,0,0]=4 1210 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [0,1,0,0,0,0|2,0,1]=4 1211 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [0,1,0,0,0,0|2,0,1]=4 1212 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [0,1,0,0,0,0|2,0,1]=4 1213 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [0,1,0,0,0,0|2,0,1]=4 1214 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [0,1,0,0,0,0|3,0,0]=4 1215 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,1,0,0,0,0|2,0,0]=3 1216 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,1,0,0,0,0|2,0,0]=3 1217 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,1,0,0,0,0|2,0,0]=3 1218 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,1,0,0,0,0|2,0,0]=3 1219 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,1,0,0,0,0|2,0,0]=3 1220 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,1,0,0,0,0|2,0,0]=3 1221 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,1,0,0,0,0|2,0,0]=3 1222 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,1,0,0,0,0|2,0,0]=3 1223 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,1,0,0,0,0|2,0,0]=3 1224 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,1,0,0,0,0|2,0,0]=3 1225 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,1,0,0,0,0|2,0,0]=3 1226 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,1,0,0,0,0|2,0,0]=3 1227 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,1,0,0,0,0|2,0,0]=3 1228 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,1,0,0,0,0|2,0,0]=3 1229 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,1,0,0,0,0|2,0,0]=3 1230 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,1,0,0,0,0|2,0,0]=3 1231 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,1,0,0,0,0|2,0,0]=3 1232 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,1,0,0,0,0|2,0,0]=3 1233 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,1,0,0,0,0|2,0,0]=3 1234 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,1,0,0,0,0|3,0,0]=4 1235 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,1,0,0,0,0|3,0,0]=4 1236 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,1,0,0,0,0|2,0,0]=3 1237 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,1,0,0,0,0|2,0,0]=3 1238 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,1,0,0,0,0|3,0,0]=4 1239 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,1,0,0,0,0|3,0,0]=4 1240 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,1,0,0,0,0|2,0,0]=3 1241 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,1,0,0,0,0|3,0,0]=4 1242 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,1,0,0,0,0|3,0,0]=4 1243 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,1,0,0,0,0|3,0,0]=4 1244 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,1,0,0,0,0|3,0,0]=4 1245 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,1,0,0,0,0|3,0,0]=4 1246 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,1,0,0,0,0|3,0,0]=4 1247 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,1,0,0,0,0|3,0,0]=4 1248 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [0,1,0,0,0,0|2,1,0]=4 1249 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [0,1,0,0,0,0|1,1,0]=3 1250 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [0,1,0,0,0,0|1,1,0]=3 1251 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [0,1,0,0,0,0|1,1,0]=3 1252 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [0,1,0,0,0,0|2,1,0]=4 1253 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [0,1,0,0,0,0|2,1,0]=4 1254 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [0,1,0,0,0,0|2,1,0]=4 1255 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [0,1,0,0,0,0|2,1,0]=4 1256 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [0,1,0,0,0,0|2,1,0]=4 1257 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,1,0,0,0,0|2,1,0]=4 1258 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [0,1,0,0,0,0|2,0,1]=4 1260 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,1,0,0,0,0|2,0,1]=4 1261 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,1,0,0,0,0|2,0,1]=4 1262 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,1,0,0,0,0|1,0,0]=2 1263 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,1,0,0,0,0|1,0,0]=2 1264 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,1,0,0,0,0|2,0,0]=3 1265 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,1,0,0,0,0|2,0,0]=3 1266 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,1,0,0,0,0|2,0,0]=3 1267 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,1,0,0,0,0|2,0,0]=3 1268 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,1,0,0,0,0|2,0,0]=3 1269 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,1,0,0,0,0|2,0,0]=3 1270 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,1,0,0,0,0|2,0,0]=3 1271 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,1,0,0,0,0|2,0,0]=3 1272 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [0,1,0,0,0,0|2,0,1]=4 1273 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [0,1,0,0,0,0|2,0,1]=4 1274 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,1,0,0,0,0|2,0,0]=3 1275 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,1,0,0,0,0|2,0,0]=3 1276 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,1,0,0,0,0|2,0,0]=3 1277 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,1,0,0,0,0|2,0,0]=3 1278 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,1,0,0,0,0|2,0,0]=3 1279 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,1,0,0,0,0|2,0,0]=3 1280 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,1,0,0,0,0|2,0,0]=3 1281 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,1,0,0,0,0|2,0,0]=3 1282 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,1,0,0,0,0|2,0,0]=3 1283 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,1,0,0,0,0|2,0,0]=3 1284 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,1,0,0,0,0|2,0,0]=3 1285 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,1,0,0,0,0|2,0,0]=3 1286 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,1,0,0,0,0|2,0,0]=3 1287 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,1,0,0,0,0|2,0,0]=3 1288 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [0,1,0,0,0,0|1,1,1]=4 1289 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [0,1,0,0,0,0|1,1,0]=3 1290 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [0,1,0,0,0,0|1,1,0]=3 1291 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [0,1,0,0,0,0|1,1,0]=3 1292 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [0,1,0,0,0,0|1,1,0]=3 1293 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [0,1,0,0,0,0|1,1,0]=3 1294 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [0,1,0,0,0,0|1,1,0]=3 1295 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [0,1,0,0,0,0|1,1,0]=3 1296 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [0,1,0,0,0,0|1,1,0]=3 1297 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,1,0,0,0,0|1,1,0]=3 1298 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,1,0,0,0,0|1,1,0]=3 1299 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [0,1,0,0,0,0|1,1,0]=3 1300 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [0,1,0,0,0,0|1,1,0]=3 1301 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [0,1,0,0,0,0|1,1,0]=3 1302 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [0,1,0,0,0,0|1,1,0]=3 1303 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [0,1,0,0,0,0|1,1,0]=3 1304 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [0,1,0,0,0,0|1,1,0]=3 1305 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [0,1,0,0,0,0|1,1,0]=3 1306 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [0,1,0,0,0,0|1,1,0]=3 1307 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [0,1,0,0,0,0|1,1,0]=3 1308 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [0,1,0,0,0,0|2,1,0]=4 1309 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [0,1,0,0,0,0|1,1,0]=3 1310 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [0,1,0,0,0,0|1,1,0]=3 1311 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,1,0,0,0,0|1,1,0]=3 1312 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,1,0,0,0,0|1,1,0]=3 1313 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,1,0,0,0,0|1,1,0]=3 1314 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,1,0,0,0,0|1,1,0]=3 1315 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,1,0,0,0,0|1,1,0]=3 1316 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,1,0,0,0,0|1,1,0]=3 1317 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,1,0,0,0,0|1,1,0]=3 1318 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,1,0,0,0,0|1,1,0]=3 1319 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,1,0,0,0,0|1,1,0]=3 1320 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [0,1,0,0,0,0|1,1,0]=3 1321 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,1,0,0,0,0|1,1,0]=3 1322 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,1,0,0,0,0|1,1,0]=3 1323 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [0,1,0,0,0,0|2,1,0]=4 1324 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [0,1,0,0,0,0|2,1,0]=4 1325 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [0,1,0,0,0,0|1,0,1]=3 1326 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [0,1,0,0,0,0|1,0,1]=3 1327 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,1,0,0,0,0|1,0,0]=2 1328 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,1,0,0,0,0|1,0,0]=2 1329 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,1,0,0,0,0|1,0,0]=2 1330 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,1,0,0,0,0|1,0,0]=2 1331 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,1,0,0,0,0|1,0,0]=2 1332 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,1,0,0,0,0|1,0,0]=2 1333 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,1,0,0,0,0|1,0,0]=2 1334 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,1,0,0,0,0|1,0,0]=2 1335 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,1,0,0,0,0|1,0,0]=2 1336 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,1,0,0,0,0|1,0,0]=2 1337 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,1,0,0,0,0|1,0,0]=2 1338 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,1,0,0,0,0|1,0,0]=2 1339 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,1,0,0,0,0|1,0,0]=2 1340 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,1,0,0,0,0|1,0,0]=2 1341 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,1,0,0,0,0|1,0,0]=2 1342 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,1,0,0,0,0|1,0,0]=2 1343 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,1,0,0,0,0|1,0,0]=2 1344 B8R0.4 CCCCSCSC#N 62a_100000210211_100000211825 [0,1,0,0,0,0|2,0,1]=4 1345 B8R0.4 CCCCSCSC#N 62a_100000211825_100000210210 [0,1,0,0,0,0|2,0,1]=4 1346 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,1,0,0,0,0|2,0,0]=3 1347 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,1,0,0,0,0|2,0,0]=3 1348 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,1,0,0,0,0|2,0,0]=3 1349 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,1,0,0,0,0|2,0,0]=3 1350 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,1,0,0,0,0|2,0,0]=3 1351 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,1,0,0,0,0|2,0,0]=3 1352 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,1,0,0,0,0|2,0,0]=3 1353 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [0,1,0,0,0,0|1,1,0]=3 1354 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [0,1,0,0,0,0|1,1,0]=3 1355 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [0,1,0,0,0,0|1,1,0]=3 1356 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [0,1,0,0,0,0|1,1,0]=3 1357 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [0,1,0,0,0,0|1,1,0]=3 1358 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [0,1,0,0,0,0|1,1,0]=3 1359 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [0,1,0,0,0,0|1,1,0]=3 1360 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [0,1,0,0,0,0|1,1,0]=3 1361 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [0,1,0,0,0,0|1,1,0]=3 1362 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [0,1,0,0,0,0|1,1,0]=3 1363 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [0,1,0,0,0,0|1,1,0]=3 1364 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [0,1,0,0,0,0|1,1,0]=3 1365 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [0,1,0,0,0,0|1,1,0]=3 1366 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [0,1,0,0,0,0|1,1,0]=3 1367 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,1,0,0,0,0|1,1,0]=3 1368 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,1,0,0,0,0|1,1,0]=3 1369 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,1,0,0,0,0|1,1,0]=3 1370 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,1,0,0,0,0|1,1,0]=3 1371 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [0,1,0,0,0,0|1,1,0]=3 1372 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [0,1,0,0,0,0|1,1,0]=3 1373 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [0,1,0,0,0,0|1,1,0]=3 1374 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [0,1,0,0,0,0|2,1,0]=4 1375 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [0,1,0,0,0,0|1,1,0]=3 1376 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [0,1,0,0,0,0|1,1,0]=3 1377 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [0,1,0,0,0,0|1,1,0]=3 1378 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [0,1,0,0,0,0|1,1,0]=3 1379 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [0,1,0,0,0,0|1,1,0]=3 1380 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [0,1,0,0,0,0|1,1,0]=3 1381 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [0,1,0,0,0,0|2,1,0]=4 1382 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [0,1,0,0,0,0|2,1,0]=4 1383 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [0,1,0,0,0,0|1,1,0]=3 1384 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [0,1,0,0,0,0|1,1,0]=3 1385 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [0,1,0,0,0,0|1,1,0]=3 1386 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [0,1,0,0,0,0|1,1,0]=3 1387 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [0,1,0,0,0,0|1,1,0]=3 1388 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [0,1,0,0,0,0|2,1,0]=4 1389 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [0,1,0,0,0,0|2,1,0]=4 1390 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [0,1,0,0,0,0|1,0,2]=4 1391 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [0,1,0,0,0,0|1,0,2]=4 1392 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,1,0,0,0,0|1,0,1]=3 1393 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,1,0,0,0,0|1,0,1]=3 1394 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,1,0,0,0,0|1,0,1]=3 1395 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,1,0,0,0,0|1,0,1]=3 1396 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,1,0,0,0,0|1,0,0]=2 1397 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,1,0,0,0,0|1,0,0]=2 1398 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,1,0,0,0,0|1,0,0]=2 1399 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,1,0,0,0,0|1,0,0]=2 1400 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,1,0,0,0,0|1,0,0]=2 1401 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,1,0,0,0,0|1,0,0]=2 1402 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,1,0,0,0,0|1,0,0]=2 1403 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,1,0,0,0,0|1,0,0]=2 1404 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,1,0,0,0,0|1,0,0]=2 1405 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,1,0,0,0,0|1,0,0]=2 1406 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,1,0,0,0,0|1,0,0]=2 1407 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,1,0,0,0,0|2,0,0]=3 1408 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,1,0,0,0,0|2,0,0]=3 1409 B8R0.4 CCCSCCSC#N 62a_100000034367_100000210303 [0,1,0,0,0,0|2,0,1]=4 1410 B8R0.4 CCCSCCSC#N 62a_100000210303_100000034367 [0,1,0,0,0,0|2,0,1]=4 1411 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,1,0,0,0,0|1,0,0]=2 1412 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,1,0,0,0,0|1,0,0]=2 1413 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [0,1,0,0,0,0|3,0,0]=4 1414 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,1,0,0,0,0|3,0,0]=4 1415 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,1,0,0,0,0|3,0,0]=4 1416 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,1,0,0,0,0|3,0,0]=4 1417 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,1,0,0,0,0|3,0,0]=4 1418 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,1,0,0,0,0|3,0,0]=4 1419 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,1,0,0,0,0|3,0,0]=4 1420 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,1,0,0,0,0|3,0,0]=4 1421 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [0,1,0,0,0,0|2,1,0]=4 1422 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [0,1,0,0,0,0|2,1,0]=4 1423 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [0,1,0,0,0,0|2,1,0]=4 1424 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [0,1,0,0,0,0|2,0,0]=3 1425 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [0,1,0,0,0,0|2,1,0]=4 1426 B8R0.4 CCNN=CCCSC 4a_100000756455_100000210997 [0,1,0,0,0,0|3,0,0]=4 1427 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [0,1,0,0,0,0|3,0,0]=4 1428 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [0,1,0,0,0,0|3,0,0]=4 1429 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,1,0,0,0,0|3,0,0]=4 1430 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,1,0,0,0,0|3,0,0]=4 1431 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [0,1,0,0,0,0|3,0,0]=4 1432 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [0,1,0,0,0,0|3,0,0]=4 1433 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [0,1,0,0,0,0|3,0,0]=4 1434 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,1,0,0,0,0|3,0,0]=4 1435 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,1,0,0,0,0|3,0,0]=4 1436 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,1,0,0,0,0|3,0,0]=4 1437 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,1,0,0,0,0|3,0,0]=4 1438 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,1,0,0,0,0|3,0,0]=4 1439 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,1,0,0,0,0|3,0,0]=4 1440 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [0,1,0,0,0,0|3,0,0]=4 1441 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [0,1,0,0,0,0|3,0,0]=4 1442 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [0,1,0,0,0,0|3,0,0]=4 1443 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,1,0,0,0,0|3,0,0]=4 1444 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,1,0,0,0,0|3,0,0]=4 1445 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,1,0,0,0,0|3,0,0]=4 1446 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,1,0,0,0,0|3,0,0]=4 1447 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [0,1,0,0,0,0|3,0,0]=4 1448 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [0,1,0,0,0,0|3,0,0]=4 1449 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [0,1,0,0,0,0|3,0,0]=4 1450 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [0,1,0,0,0,0|3,0,0]=4 1451 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [0,1,0,0,0,0|3,0,0]=4 1452 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [0,1,0,0,0,0|3,0,0]=4 1453 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [0,1,0,0,0,0|3,0,0]=4 1454 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [0,1,0,0,0,0|3,0,0]=4 1455 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [0,1,0,0,0,0|3,0,0]=4 1456 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [0,1,0,0,0,0|3,0,0]=4 1457 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [0,1,0,0,0,0|2,1,0]=4 1458 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [0,1,0,0,0,0|2,1,0]=4 1459 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [0,1,0,0,0,0|2,1,0]=4 1460 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [0,1,0,0,0,0|2,1,0]=4 1461 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [0,1,0,0,0,0|2,1,0]=4 1462 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [0,1,0,0,0,0|2,1,0]=4 1463 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [0,1,0,0,0,0|2,1,0]=4 1464 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [0,1,0,0,0,0|2,1,0]=4 1465 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [0,1,0,0,0,0|2,1,0]=4 1466 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [0,1,0,0,0,0|2,1,0]=4 1467 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [0,1,0,0,0,0|2,1,0]=4 1468 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [0,1,0,0,0,0|2,1,0]=4 1469 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [0,1,0,0,0,0|2,1,0]=4 1470 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [0,1,0,0,0,0|2,1,0]=4 1471 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [0,1,0,0,0,0|2,1,0]=4 1472 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [0,1,0,0,0,0|2,1,0]=4 1473 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [0,1,0,0,0,0|2,1,0]=4 1474 B8R0.4 CCOCCSCC#N 62a_100000210147_100011215382 [0,1,0,0,0,0|2,0,1]=4 1475 B8R0.4 CCOCCSCC#N 62a_100011215382_100011215890 [0,1,0,0,0,0|2,0,1]=4 1476 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,1,0,0,0,0|2,0,1]=4 1477 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,1,0,0,0,0|2,0,1]=4 1478 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [0,1,0,0,0,0|2,0,0]=3 1479 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [0,1,0,0,0,0|2,0,0]=3 1480 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,1,0,0,0,0|2,0,0]=3 1481 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,1,0,0,0,0|2,0,0]=3 1482 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [0,1,0,0,0,0|2,0,0]=3 1483 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [0,1,0,0,0,0|2,0,0]=3 1484 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [0,1,0,0,0,0|2,0,0]=3 1485 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [0,1,0,0,0,0|2,0,0]=3 1486 B8R0.4 CCOCSCCC#N 62a_100000739092_100011215226 [0,1,0,0,0,0|2,0,1]=4 1487 B8R0.4 CCOCSCCC#N 62a_100011215226_100000739092 [0,1,0,0,0,0|2,0,1]=4 1488 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [0,1,0,0,0,0|2,0,0]=3 1489 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [0,1,0,0,0,0|2,0,0]=3 1490 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,1,0,0,0,0|2,0,0]=3 1491 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,1,0,0,0,0|2,0,0]=3 1492 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,1,0,0,0,0|2,0,0]=3 1493 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,1,0,0,0,0|2,0,0]=3 1494 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,1,0,0,0,0|2,0,0]=3 1495 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,1,0,0,0,0|2,0,0]=3 1496 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [0,1,0,0,0,0|2,0,0]=3 1497 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,1,0,0,0,0|3,0,0]=4 1498 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,1,0,0,0,0|3,0,0]=4 1499 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,1,0,0,0,0|3,0,0]=4 1500 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,1,0,0,0,0|3,0,0]=4 1501 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,1,0,0,0,0|3,0,0]=4 1502 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,1,0,0,0,0|3,0,0]=4 1503 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [0,1,0,0,0,0|3,0,0]=4 1504 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [0,1,0,0,0,0|3,0,0]=4 1505 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [0,1,0,0,0,0|3,0,0]=4 1506 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [0,1,0,0,0,0|3,0,0]=4 1507 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [0,1,0,0,0,0|3,0,0]=4 1508 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [0,1,0,0,0,0|3,0,0]=4 1509 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [0,1,0,0,0,0|3,0,0]=4 1510 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [0,1,0,0,0,0|2,1,0]=4 1511 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [0,1,0,0,0,0|2,1,0]=4 1512 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [0,1,0,0,0,0|2,1,0]=4 1513 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [0,1,0,0,0,0|2,1,0]=4 1514 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [0,1,0,0,0,0|2,1,0]=4 1515 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [0,1,0,0,0,0|2,1,0]=4 1516 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [0,1,0,0,0,0|2,1,0]=4 1517 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [0,1,0,0,0,0|2,1,0]=4 1518 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [0,1,0,0,0,0|2,1,0]=4 1519 B8R0.4 CCSCCSCC#N 62a_100000757381_100011215382 [0,1,0,0,0,0|2,0,1]=4 1520 B8R0.4 CCSCCSCC#N 62a_100011215382_100000757381 [0,1,0,0,0,0|2,0,1]=4 1521 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,1,0,0,0,0|2,0,1]=4 1522 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,1,0,0,0,0|2,0,1]=4 1523 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [0,1,0,0,0,0|2,0,0]=3 1524 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [0,1,0,0,0,0|2,0,0]=3 1525 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,1,0,0,0,0|2,0,0]=3 1526 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,1,0,0,0,0|2,0,0]=3 1527 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [0,1,0,0,0,0|2,0,0]=3 1528 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [0,1,0,0,0,0|2,0,0]=3 1529 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [0,1,0,0,0,0|2,0,0]=3 1530 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [0,1,0,0,0,0|2,0,0]=3 1531 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [0,1,0,0,0,0|2,1,0]=4 1532 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [0,1,0,0,0,0|2,1,0]=4 1533 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,1,0,0,0,0|3,0,0]=4 1534 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,1,0,0,0,0|3,0,0]=4 1535 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,1,0,0,0,0|3,0,0]=4 1536 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,1,0,0,0,0|3,0,0]=4 1537 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,1,0,0,0,0|3,0,0]=4 1538 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,1,0,0,0,0|3,0,0]=4 1539 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,1,0,0,0,0|3,0,0]=4 1540 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,1,0,0,0,0|3,0,0]=4 1541 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,1,0,0,0,0|3,0,0]=4 1542 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,1,0,0,0,0|3,0,0]=4 1543 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,1,0,0,0,0|3,0,0]=4 1544 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,1,0,0,0,0|3,0,0]=4 1545 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [0,1,0,0,0,0|2,1,0]=4 1546 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [0,1,0,0,0,0|2,1,0]=4 1547 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [0,1,0,0,0,0|2,1,0]=4 1548 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [0,1,0,0,0,0|2,1,0]=4 1549 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [0,1,0,0,0,0|2,1,0]=4 1550 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [0,1,0,0,0,0|2,1,0]=4 1551 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [0,1,0,0,0,0|2,1,0]=4 1552 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [0,1,0,0,0,0|2,1,0]=4 1553 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [0,1,0,0,0,0|2,1,0]=4 1554 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [0,1,0,0,0,0|2,1,0]=4 1555 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,1,0,0,0,0|3,0,0]=4 1556 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,1,0,0,0,0|3,0,0]=4 1557 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,1,0,0,0,0|3,0,0]=4 1558 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,1,0,0,0,0|3,0,0]=4 1559 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,1,0,0,0,0|3,0,0]=4 1560 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,1,0,0,0,0|3,0,0]=4 1561 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,1,0,0,0,0|3,0,0]=4 1562 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,1,0,0,0,0|3,0,0]=4 1563 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,1,0,0,0,0|3,0,0]=4 1564 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,1,0,0,0,0|3,0,0]=4 1565 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,1,0,0,0,0|3,0,0]=4 1566 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [0,1,0,0,0,0|3,0,0]=4 1567 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [0,1,0,0,0,0|3,0,0]=4 1568 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,1,0,0,0,0|3,0,0]=4 1569 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,1,0,0,0,0|3,0,0]=4 1570 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,1,0,0,0,0|3,0,0]=4 1571 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,1,0,0,0,0|3,0,0]=4 1572 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [0,1,0,0,0,0|2,1,0]=4 1573 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [0,1,0,0,0,0|2,1,0]=4 1574 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [0,1,0,0,0,0|2,1,0]=4 1575 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [0,1,0,0,0,0|2,1,0]=4 1576 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [0,1,0,0,0,0|2,1,0]=4 1577 B8R0.4 COCCCSCC#N 62a_100000709357_100011215382 [0,1,0,0,0,0|2,0,1]=4 1578 B8R0.4 COCCCSCC#N 62a_100011215382_100000709357 [0,1,0,0,0,0|2,0,1]=4 1579 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,1,0,0,0,0|2,0,1]=4 1580 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,1,0,0,0,0|2,0,1]=4 1581 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,1,0,0,0,0|2,0,0]=3 1582 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,1,0,0,0,0|2,0,0]=3 1583 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,1,0,0,0,0|2,0,0]=3 1584 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,1,0,0,0,0|2,0,0]=3 1585 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,1,0,0,0,0|2,0,0]=3 1586 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,1,0,0,0,0|2,0,0]=3 1587 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,1,0,0,0,0|2,0,0]=3 1588 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,1,0,0,0,0|2,0,0]=3 1589 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [0,1,0,0,0,0|3,0,0]=4 1590 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [0,1,0,0,0,0|3,0,0]=4 1591 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [0,1,0,0,0,0|3,0,0]=4 1592 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,1,0,0,0,0|3,0,0]=4 1593 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [0,1,0,0,0,0|3,0,0]=4 1594 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,1,0,0,0,0|3,0,0]=4 1595 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,1,0,0,0,0|3,0,0]=4 1596 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [0,1,0,0,0,0|2,1,0]=4 1597 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [0,1,0,0,0,0|2,1,0]=4 1598 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [0,1,0,0,0,0|2,1,0]=4 1599 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [0,1,0,0,0,0|2,1,0]=4 1600 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [0,1,0,0,0,0|2,1,0]=4 1601 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [0,1,0,0,0,0|2,1,0]=4 1602 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [0,1,0,0,0,0|2,1,0]=4 1603 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [0,1,0,0,0,0|2,1,0]=4 1604 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [0,1,0,0,0,0|2,1,0]=4 1605 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [0,1,0,0,0,0|2,1,0]=4 1606 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [0,1,0,0,0,0|2,1,0]=4 1607 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [0,1,0,0,0,0|2,1,0]=4 1608 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [0,1,0,0,0,0|2,1,0]=4 1609 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [0,1,0,0,0,0|2,1,0]=4 1610 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [0,1,0,0,0,0|2,1,0]=4 1611 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [0,1,0,0,0,0|2,1,0]=4 1612 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [0,1,0,0,0,0|2,1,0]=4 1613 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [0,1,0,0,0,0|2,1,0]=4 1614 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [0,1,0,0,0,0|2,1,0]=4 1615 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [0,1,0,0,0,0|2,1,0]=4 1616 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [0,1,0,0,0,0|2,1,0]=4 1617 B8R0.4 COCCSCCC#N 62a_100000233755_100011215226 [0,1,0,0,0,0|2,0,1]=4 1618 B8R0.4 COCCSCCC#N 62a_100011215226_100000233755 [0,1,0,0,0,0|2,0,1]=4 1619 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,1,0,0,0,0|2,0,0]=3 1620 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,1,0,0,0,0|2,0,0]=3 1621 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,1,0,0,0,0|2,0,0]=3 1622 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,1,0,0,0,0|2,0,0]=3 1623 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [0,1,0,0,0,0|2,0,0]=3 1624 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,1,0,0,0,0|2,0,0]=3 1625 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,1,0,0,0,0|2,0,0]=3 1626 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [0,1,0,0,0,0|3,0,0]=4 1627 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [0,1,0,0,0,0|3,0,0]=4 1628 B8R0.4 COCSCCCC#N 62a_100000687738_100000766300 [0,1,0,0,0,0|2,0,1]=4 1629 B8R0.4 COCSCCCC#N 62a_100000766300_100000687738 [0,1,0,0,0,0|2,0,1]=4 1630 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,1,0,0,0,0|2,0,1]=4 1631 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,1,0,0,0,0|2,0,1]=4 1632 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [0,1,0,0,0,0|2,0,0]=3 1633 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [0,1,0,0,0,0|2,0,0]=3 1634 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,1,0,0,0,0|2,0,0]=3 1635 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,1,0,0,0,0|2,0,0]=3 1636 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,1,0,0,0,0|3,0,0]=4 1637 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,1,0,0,0,0|3,0,0]=4 1638 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,1,0,0,0,0|3,0,0]=4 1639 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,1,0,0,0,0|3,0,0]=4 1640 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,1,0,0,0,0|3,0,0]=4 1641 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,1,0,0,0,0|3,0,0]=4 1642 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [0,1,0,0,0,0|3,0,0]=4 1643 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [0,1,0,0,0,0|2,1,0]=4 1644 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [0,1,0,0,0,0|2,1,0]=4 1645 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,1,0,0,0,0|2,1,0]=4 1646 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,1,0,0,0,0|2,1,0]=4 1647 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [0,1,0,0,0,0|2,1,0]=4 1648 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,1,0,0,0,0|3,0,0]=4 1649 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,1,0,0,0,0|3,0,0]=4 1650 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,1,0,0,0,0|3,0,0]=4 1651 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,1,0,0,0,0|3,0,0]=4 1652 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,1,0,0,0,0|3,0,0]=4 1653 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [0,1,0,0,0,0|2,1,0]=4 1654 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,1,0,0,0,0|2,1,0]=4 1655 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [0,1,0,0,0,0|2,1,0]=4 1656 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [0,1,0,0,0,0|2,1,0]=4 1657 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [0,1,0,0,0,0|2,1,0]=4 1658 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,1,0,0,0,0|2,1,0]=4 1659 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,1,0,0,0,0|2,1,0]=4 1660 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,1,0,0,0,0|2,1,0]=4 1661 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [0,1,0,0,0,0|2,1,0]=4 1662 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [0,1,0,0,0,0|2,1,0]=4 1663 B8R0.4 CSCCSCCC#N 62a_100000212216_100011215226 [0,1,0,0,0,0|2,0,1]=4 1664 B8R0.4 CSCCSCCC#N 62a_100011215226_100000751147 [0,1,0,0,0,0|2,0,1]=4 1665 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,1,0,0,0,0|2,0,0]=3 1666 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,1,0,0,0,0|2,0,0]=3 1667 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,1,0,0,0,0|2,0,0]=3 1668 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,1,0,0,0,0|2,0,0]=3 1669 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [0,1,0,0,0,0|2,0,0]=3 1670 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,1,0,0,0,0|3,0,0]=4 1671 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,1,0,0,0,0|3,0,0]=4 1672 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [0,1,0,0,0,0|2,1,0]=4 1673 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [0,1,0,0,0,0|2,1,0]=4 1674 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [0,1,0,0,0,0|2,1,0]=4 1675 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [0,1,0,0,0,0|2,1,0]=4 1676 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [0,1,0,0,0,0|2,1,0]=4 1677 B8R0.4 CSCSCCCC#N 62a_100000687738_100011218213 [0,1,0,0,0,0|2,0,1]=4 1678 B8R0.4 CSCSCCCC#N 62a_100011218213_100000687738 [0,1,0,0,0,0|2,0,1]=4 1679 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,1,0,0,0,0|2,0,1]=4 1680 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,1,0,0,0,0|2,0,1]=4 1681 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [0,1,0,0,0,0|2,0,0]=3 1682 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [0,1,0,0,0,0|2,0,0]=3 1683 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,1,0,0,0,0|2,0,0]=3 1684 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,1,0,0,0,0|2,0,0]=3 1685 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [0,1,0,0,0,0|3,0,0]=4 1686 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [0,1,0,0,0,0|2,1,0]=4 1687 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [0,1,0,0,0,0|2,1,0]=4 1688 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [0,1,0,0,0,0|2,1,0]=4 1689 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [0,1,0,0,0,0|2,0,0]=3 1690 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [0,1,0,0,0,0|2,0,0]=3 1691 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [0,1,0,0,0,0|3,0,0]=4 1692 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [0,1,0,0,0,0|3,0,0]=4 1693 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [0,1,0,0,0,0|2,1,0]=4 1694 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [0,1,0,0,0,0|2,1,0]=4 1695 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [0,1,0,0,0,0|2,1,0]=4 1696 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [0,1,0,0,0,0|2,0,0]=3 1697 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [0,1,0,0,0,0|2,1,0]=4 1698 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [0,1,0,0,0,0|2,1,0]=4 1699 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [0,1,0,0,0,0|2,1,0]=4 1700 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [0,1,0,0,0,0|2,1,0]=4 1701 B8R0.4 N#CCCCSCCF 62a_100000687738_100011217306 [0,1,0,0,0,0|2,0,1]=4 1702 B8R0.4 N#CCCCSCCF 62a_100011217306_100000687738 [0,1,0,0,0,0|2,0,1]=4 1703 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [0,1,0,0,0,0|2,0,1]=4 1704 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [0,1,0,0,0,0|2,0,1]=4 1705 B8R0.4 N#CCCSCCCF 62a_100011215226_100011934791 [0,1,0,0,0,0|2,0,1]=4 1706 B8R0.4 N#CCCSCCCF 62a_100011934791_100011215226 [0,1,0,0,0,0|2,0,1]=4 1707 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [0,1,0,0,0,0|2,0,1]=4 1708 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [0,1,0,0,0,0|2,0,1]=4 1709 B8R0.4 N#CCSCCCCF 62a_100000729493_100011215382 [0,1,0,0,0,0|2,0,1]=4 1710 B8R0.4 N#CCSCCCCF 62a_100011215382_100000729493 [0,1,0,0,0,0|2,0,1]=4 1711 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [0,1,0,0,0,0|2,0,1]=4 1712 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [0,1,0,0,0,0|2,0,1]=4 1713 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [0,1,0,0,0,0|2,1,0]=4 1714 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [0,1,0,0,0,0|2,1,0]=4 1715 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [0,1,0,0,0,0|2,1,0]=4 1716 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [0,1,0,0,0,0|2,1,0]=4 1717 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [0,1,0,0,0,0|2,1,0]=4 1718 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [0,1,0,0,0,0|2,1,0]=4 1719 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,1,0,0,0,0|2,0,1]=4 1720 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,1,0,0,0,0|2,0,1]=4 1721 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,1,0,0,0,0|2,0,1]=4 1722 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,1,0,0,0,0|2,0,1]=4 1723 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,1,0,0,0,0|2,0,1]=4 1724 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,1,0,0,0,0|2,0,1]=4 1725 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,1,0,0,0,0|2,0,1]=4 1726 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,1,0,0,0,0|2,0,1]=4 1727 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [0,1,0,0,0,0|3,0,0]=4 1728 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [0,1,0,0,0,0|3,0,0]=4 1729 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [0,1,0,0,0,0|3,0,0]=4 1730 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [0,1,0,0,0,0|3,0,0]=4 1731 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [0,1,0,0,0,0|3,0,0]=4 1732 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [0,1,0,0,0,0|3,0,0]=4 1733 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [0,1,0,0,0,0|3,0,0]=4 1734 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [0,1,0,0,0,0|2,1,0]=4 1735 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,1,0,0,0,0|2,0,0]=3 1736 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,1,0,0,0,0|2,0,0]=3 1737 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,1,0,0,0,0|2,0,0]=3 1738 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,1,0,0,0,0|2,0,0]=3 1739 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [0,1,0,0,0,0|3,0,0]=4 1740 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [0,1,0,0,0,0|3,0,0]=4 1741 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [0,1,0,0,0,0|2,1,0]=4 1742 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [0,1,0,0,0,0|2,1,0]=4 1743 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [0,1,0,0,0,0|2,1,0]=4 1744 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,1,0,0,0,0|2,0,0]=3 1745 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,1,0,0,0,0|2,0,0]=3 1746 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,1,0,0,0,0|2,0,0]=3 1747 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [0,1,0,0,0,0|3,0,0]=4 1748 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [0,1,0,0,0,0|3,0,0]=4 1749 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [0,1,0,0,0,0|2,1,0]=4 1750 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [0,1,0,0,0,0|2,1,0]=4 1751 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [0,1,0,0,0,0|2,1,0]=4 1752 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [0,1,0,0,0,0|2,1,0]=4 1753 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [0,1,0,0,0,0|2,1,0]=4 1754 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [0,1,0,0,0,0|2,1,0]=4 1755 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,1,0,0,0,0|2,0,0]=3 1756 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,1,0,0,0,0|2,0,0]=3 1757 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,1,0,0,0,0|3,0,0]=4 1758 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,1,0,0,0,0|3,0,0]=4 1759 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,1,0,0,0,0|3,0,0]=4 1760 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,1,0,0,0,0|3,0,0]=4 1761 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,1,0,0,0,0|3,0,0]=4 1762 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,1,0,0,0,0|3,0,0]=4 1763 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,1,0,0,0,0|3,0,0]=4 1764 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,1,0,0,0,0|3,0,0]=4 1765 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,1,0,0,0,0|3,0,0]=4 1766 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,1,0,0,0,0|3,0,0]=4 1767 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,1,0,0,0,0|3,0,0]=4 1768 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,1,0,0,0,0|3,0,0]=4 1769 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,1,0,0,0,0|3,0,0]=4 1770 B8R0.6 C#CC(C)SCCCC 62a_200000035995_100000210210 [0,1,0,0,0,0|1,0,2]=4 1771 B8R0.6 C#CCCSC(C)CC 62a_100000688953_100000758301 [0,1,0,0,0,0|1,0,2]=4 1772 B8R0.6 C#CCCSC(C)CC 62a_100000758301_100000688953 [0,1,0,0,0,0|1,0,2]=4 1773 B8R0.6 C#CCSCC(C)CC 62a_100000038162_100000748023 [0,1,0,0,0,0|1,0,2]=4 1774 B8R0.6 C#CCSCC(O)CC 62a_100000038162_100011218378 [0,1,0,0,0,0|1,0,2]=4 1775 B8R0.6 C#CCSC[C@@H](C)CC 62a_100000038162_100009816398 [0,1,0,0,0,0|1,0,2]=4 1776 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,1,0,0,0,0|1,0,2]=4 1777 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,1,0,0,0,0|1,0,2]=4 1778 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,1,0,0,0,0|1,0,2]=4 1779 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,1,0,0,0,0|1,0,2]=4 1780 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,1,0,0,0,0|1,0,2]=4 1781 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,1,0,0,0,0|1,0,2]=4 1782 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,1,0,0,0,0|1,0,2]=4 1783 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,1,0,0,0,0|1,0,2]=4 1784 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,1,0,0,0,0|1,0,2]=4 1785 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,1,0,0,0,0|1,0,2]=4 1786 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,1,0,0,0,0|1,0,2]=4 1787 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,1,0,0,0,0|1,0,2]=4 1788 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,1,0,0,0,0|1,0,2]=4 1789 B8R0.6 CC#CCSC(C)CC 62a_100000748600_100000758301 [0,1,0,0,0,0|1,0,2]=4 1790 B8R0.6 CC#CCSC(C)CC 62a_100000758301_100000748600 [0,1,0,0,0,0|1,0,2]=4 1791 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [0,1,0,0,0,0|3,0,0]=4 1792 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,1,0,0,0,0|3,0,0]=4 1793 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,1,0,0,0,0|1,0,2]=4 1794 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,1,0,0,0,0|1,0,2]=4 1795 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,0,0,0,0|2,0,1]=4 1796 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,0,0,0,0|2,0,1]=4 1797 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|2,0,1]=4 1798 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|2,0,1]=4 1799 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,1,0,0,0,0|2,0,1]=4 1800 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,1,0,0,0,0|2,0,1]=4 1801 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,0,0,0,0|2,0,1]=4 1802 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,0,0,0,0|2,0,1]=4 1803 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,0,0,0,0|3,0,0]=4 1804 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,0,0,0,0|3,0,0]=4 1805 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,1,0,0,0,0|3,0,0]=4 1806 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,1,0,0,0,0|3,0,0]=4 1807 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,1,0,0,0,0|3,0,0]=4 1808 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,1,0,0,0,0|3,0,0]=4 1809 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,1,0,0,0,0|3,0,0]=4 1810 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,1,0,0,0,0|3,0,0]=4 1811 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [0,1,0,0,0,0|3,0,0]=4 1812 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,1,0,0,0,0|3,0,0]=4 1813 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,1,0,0,0,0|2,1,0]=4 1814 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,1,0,0,0,0|2,1,0]=4 1815 B8R0.6 CCC(C)CSCC#N 62a_100000748023_100011215382 [0,1,0,0,0,0|2,0,1]=4 1816 B8R0.6 CCC(C)CSCC#N 62a_100011215382_100000748023 [0,1,0,0,0,0|2,0,1]=4 1817 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,1,0,0,0,0|2,0,1]=4 1818 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,1,0,0,0,0|2,0,1]=4 1819 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,1,0,0,0,0|2,0,0]=3 1820 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,1,0,0,0,0|2,0,0]=3 1821 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,1,0,0,0,0|2,0,0]=3 1822 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,1,0,0,0,0|2,0,0]=3 1823 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,1,0,0,0,0|2,0,0]=3 1824 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,1,0,0,0,0|2,0,0]=3 1825 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,1,0,0,0,0|2,0,0]=3 1826 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,1,0,0,0,0|2,0,0]=3 1827 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,1,0,0,0,0|3,0,0]=4 1828 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,1,0,0,0,0|3,0,0]=4 1829 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,1,0,0,0,0|3,0,0]=4 1830 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,1,0,0,0,0|3,0,0]=4 1831 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,1,0,0,0,0|3,0,0]=4 1832 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,1,0,0,0,0|3,0,0]=4 1833 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,1,0,0,0,0|3,0,0]=4 1834 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,1,0,0,0,0|3,0,0]=4 1835 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,1,0,0,0,0|2,1,0]=4 1836 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,1,0,0,0,0|2,1,0]=4 1837 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,1,0,0,0,0|2,1,0]=4 1838 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,1,0,0,0,0|2,1,0]=4 1839 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,1,0,0,0,0|2,1,0]=4 1840 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,1,0,0,0,0|2,1,0]=4 1841 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,1,0,0,0,0|2,1,0]=4 1842 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,1,0,0,0,0|2,1,0]=4 1843 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,1,0,0,0,0|2,1,0]=4 1844 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,1,0,0,0,0|2,1,0]=4 1845 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,1,0,0,0,0|2,1,0]=4 1846 B8R0.6 CCC(C)SCCC#N 62a_100000758301_100011215226 [0,1,0,0,0,0|2,0,1]=4 1847 B8R0.6 CCC(C)SCCC#N 62a_100011215226_100000758301 [0,1,0,0,0,0|2,0,1]=4 1848 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,1,0,0,0,0|2,0,0]=3 1849 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,1,0,0,0,0|2,0,0]=3 1850 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,1,0,0,0,0|2,0,0]=3 1851 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,1,0,0,0,0|2,0,0]=3 1852 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,1,0,0,0,0|2,0,0]=3 1853 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,1,0,0,0,0|2,0,0]=3 1854 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,1,0,0,0,0|2,0,0]=3 1855 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,1,0,0,0,0|2,0,0]=3 1856 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,1,0,0,0,0|3,0,0]=4 1857 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,1,0,0,0,0|3,0,0]=4 1858 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,1,0,0,0,0|3,0,0]=4 1859 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,1,0,0,0,0|3,0,0]=4 1860 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,1,0,0,0,0|3,0,0]=4 1861 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,1,0,0,0,0|3,0,0]=4 1862 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,1,0,0,0,0|3,0,0]=4 1863 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,1,0,0,0,0|2,1,0]=4 1864 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,1,0,0,0,0|2,1,0]=4 1865 B8R0.6 CCC(O)CSCC#N 62a_100011215382_100011218378 [0,1,0,0,0,0|2,0,1]=4 1866 B8R0.6 CCC(O)CSCC#N 62a_100011218378_100011215382 [0,1,0,0,0,0|2,0,1]=4 1867 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,0,0,0,0|2,0,1]=4 1868 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,0,0,0,0|2,0,1]=4 1869 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,1,0,0,0,0|2,0,0]=3 1870 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,1,0,0,0,0|2,0,0]=3 1871 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,0,0,0,0|2,0,0]=3 1872 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,0,0,0,0|2,0,0]=3 1873 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,1,0,0,0,0|2,0,0]=3 1874 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,1,0,0,0,0|2,0,0]=3 1875 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,1,0,0,0,0|2,0,0]=3 1876 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,1,0,0,0,0|2,0,0]=3 1877 B8R0.6 CCC=NNC(C)CC 4a_100000718999_100000210100 [0,1,0,0,0,0|2,0,1]=4 1878 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,0,0,0,0|2,0,1]=4 1879 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|2,0,1]=4 1880 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|2,0,1]=4 1881 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|2,0,1]=4 1882 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,1,0,0,0,0|3,0,0]=4 1883 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,1,0,0,0,0|3,0,0]=4 1884 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,1,0,0,0,0|3,0,0]=4 1885 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,1,0,0,0,0|3,0,0]=4 1886 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,1,0,0,0,0|3,0,0]=4 1887 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,1,0,0,0,0|3,0,0]=4 1888 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|3,0,0]=4 1889 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|3,0,0]=4 1890 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|3,0,0]=4 1891 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|3,0,0]=4 1892 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|3,0,0]=4 1893 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,0,0,0,0|3,0,0]=4 1894 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,0,0,0,0|3,0,0]=4 1895 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,0,0,0,0|3,0,0]=4 1896 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,0,0,0,0|3,0,0]=4 1897 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,1,0,0,0,0|3,0,0]=4 1898 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,1,0,0,0,0|3,0,0]=4 1899 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,1,0,0,0,0|3,0,0]=4 1900 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,1,0,0,0,0|3,0,0]=4 1901 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|2,0,1]=4 1902 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|2,0,1]=4 1903 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|2,0,1]=4 1904 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|2,0,1]=4 1905 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,1,0,0,0,0|2,0,0]=3 1906 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,1,0,0,0,0|2,0,0]=3 1907 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,1,0,0,0,0|2,0,0]=3 1908 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,1,0,0,0,0|3,0,0]=4 1909 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,1,0,0,0,0|3,0,0]=4 1910 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,1,0,0,0,0|3,0,0]=4 1911 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,1,0,0,0,0|1,1,0]=3 1912 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,1,0,0,0,0|1,1,0]=3 1913 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,1,0,0,0,0|1,1,0]=3 1914 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,1,0,0,0,0|2,1,0]=4 1915 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,1,0,0,0,0|2,1,0]=4 1916 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,1,0,0,0,0|2,1,0]=4 1917 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,1,0,0,0,0|2,1,0]=4 1918 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,1,0,0,0,0|2,1,0]=4 1919 B8R0.6 CCCCSC(C)C#N 62a_100000210211_100000703298 [0,1,0,0,0,0|2,0,1]=4 1920 B8R0.6 CCCCSC(C)C#N 62a_100000703298_100000210210 [0,1,0,0,0,0|2,0,1]=4 1921 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,1,0,0,0,0|1,0,0]=2 1922 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,1,0,0,0,0|1,0,0]=2 1923 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,1,0,0,0,0|2,0,0]=3 1924 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,1,0,0,0,0|2,0,0]=3 1925 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,1,0,0,0,0|2,0,0]=3 1926 B8R0.6 CCCCSC(F)C#N 62a_100000210211_200000117898 [0,1,0,0,0,0|2,0,1]=4 1927 B8R0.6 CCCCSC(F)C#N 62a_200000117898_100000210210 [0,1,0,0,0,0|2,0,1]=4 1928 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,1,0,0,0,0|2,0,0]=3 1929 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,1,0,0,0,0|2,0,0]=3 1930 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,1,0,0,0,0|2,0,0]=3 1931 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,1,0,0,0,0|2,0,0]=3 1932 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,1,0,0,0,0|3,0,0]=4 1933 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,1,0,0,0,0|2,0,0]=3 1934 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,1,0,0,0,0|3,0,0]=4 1935 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,1,0,0,0,0|3,0,0]=4 1936 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,1,0,0,0,0|3,0,0]=4 1937 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,0,0,0,0|2,0,1]=4 1938 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|1,1,1]=4 1939 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|1,1,1]=4 1940 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,1,0,0,0,0|1,1,0]=3 1941 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,1,0,0,0,0|2,1,0]=4 1942 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,1,0,0,0,0|2,1,0]=4 1943 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,1,0,0,0,0|2,1,0]=4 1944 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,1,0,0,0,0|1,1,0]=3 1945 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,1,0,0,0,0|2,1,0]=4 1946 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,1,0,0,0,0|1,1,0]=3 1947 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,1,0,0,0,0|1,1,0]=3 1948 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,1,0,0,0,0|2,1,0]=4 1949 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,1,0,0,0,0|2,1,0]=4 1950 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,1,0,0,0,0|2,1,0]=4 1951 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,1,0,0,0,0|2,1,0]=4 1952 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|1,0,1]=3 1953 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|1,0,1]=3 1954 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|1,0,1]=3 1955 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,0,0,0,0|2,0,1]=4 1956 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,0,0,0,0|2,0,1]=4 1957 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,0,0,0,0|2,0,1]=4 1958 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,0,0,0,0|2,0,1]=4 1959 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,0,0,0,0|2,0,1]=4 1960 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,0,0,0,0|2,0,1]=4 1961 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,0,0,0,0|2,0,1]=4 1962 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,0,0,0,0|2,0,1]=4 1963 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,0,0,0,0|2,0,1]=4 1964 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,1,0,0,0,0|1,0,0]=2 1965 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,1,0,0,0,0|1,0,0]=2 1966 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,1,0,0,0,0|2,0,0]=3 1967 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,0,0,0,0|1,0,0]=2 1968 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,0,0,0,0|1,0,0]=2 1969 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,1,0,0,0,0|2,0,0]=3 1970 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,1,0,0,0,0|2,0,0]=3 1971 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,1,0,0,0,0|1,0,0]=2 1972 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,1,0,0,0,0|1,0,0]=2 1973 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,1,0,0,0,0|2,0,0]=3 1974 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,1,0,0,0,0|2,0,0]=3 1975 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,1,0,0,0,0|2,0,0]=3 1976 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,1,0,0,0,0|2,0,0]=3 1977 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,1,0,0,0,0|2,0,0]=3 1978 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,1,0,0,0,0|2,0,0]=3 1979 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,0,0,0,0|3,0,0]=4 1980 B8R0.6 CCNN=CC(C)CC 4a_100000756455_100000243153 [0,1,0,0,0,0|3,0,0]=4 1981 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,0,0,0,0|3,0,0]=4 1982 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,1,0,0,0,0|2,0,0]=3 1983 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,1,0,0,0,0|2,0,0]=3 1984 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,1,0,0,0,0|3,0,0]=4 1985 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [0,1,0,0,0,0|3,0,0]=4 1986 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [0,1,0,0,0,0|3,0,0]=4 1987 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,1,0,0,0,0|3,0,0]=4 1988 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,1,0,0,0,0|3,0,0]=4 1989 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,1,0,0,0,0|3,0,0]=4 1990 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,1,0,0,0,0|3,0,0]=4 1991 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,1,0,0,0,0|3,0,0]=4 1992 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,1,0,0,0,0|2,1,0]=4 1993 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,1,0,0,0,0|2,1,0]=4 1994 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,1,0,0,0,0|2,1,0]=4 1995 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,1,0,0,0,0|2,1,0]=4 1996 B8R0.6 CC[C@H](C)CSCC#N 62a_100009816398_100011215382 [0,1,0,0,0,0|2,0,1]=4 1997 B8R0.6 CC[C@H](C)CSCC#N 62a_100011215382_100009816398 [0,1,0,0,0,0|2,0,1]=4 1998 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,1,0,0,0,0|2,0,1]=4 1999 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,1,0,0,0,0|2,0,1]=4 2000 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,1,0,0,0,0|2,0,0]=3 2001 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,1,0,0,0,0|2,0,0]=3 2002 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,1,0,0,0,0|2,0,0]=3 2003 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,1,0,0,0,0|2,0,0]=3 2004 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,1,0,0,0,0|2,0,0]=3 2005 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,1,0,0,0,0|2,0,0]=3 2006 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,1,0,0,0,0|2,0,0]=3 2007 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,1,0,0,0,0|2,0,0]=3 2008 B8R0.6 COC(C)SCCCF 62a_100009879195_100011934791 [0,1,0,0,0,0|3,0,0]=4 2009 B8R0.6 COC(C)SCCCF 62a_100011934791_100009879195 [0,1,0,0,0,0|3,0,0]=4 2010 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,1,0,0,0,0|3,0,0]=4 2011 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,1,0,0,0,0|3,0,0]=4 2012 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,1,0,0,0,0|3,0,0]=4 2013 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,1,0,0,0,0|3,0,0]=4 2014 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [0,1,0,0,0,0|3,0,0]=4 2015 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [0,1,0,0,0,0|3,0,0]=4 2016 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [0,1,0,0,0,0|3,0,0]=4 2017 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [0,1,0,0,0,0|3,0,0]=4 2018 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [0,1,0,0,0,0|3,0,0]=4 2019 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,1,0,0,0,0|3,0,0]=4 2020 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,1,0,0,0,0|3,0,0]=4 2021 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,1,0,0,0,0|3,0,0]=4 2022 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,1,0,0,0,0|3,0,0]=4 2023 B8R0.6 COCSC[C@@H](O)CF 62a_100000766300_100015614560 [0,1,0,0,0,0|3,0,0]=4 2024 B8R0.6 COCSC[C@@H](O)CF 62a_100015614560_100000766300 [0,1,0,0,0,0|3,0,0]=4 2025 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,1,0,0,0,0|3,0,0]=4 2026 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,1,0,0,0,0|3,0,0]=4 2027 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [0,1,0,0,0,0|3,0,0]=4 2028 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [0,1,0,0,0,0|3,0,0]=4 2029 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [0,1,0,0,0,0|3,0,0]=4 2030 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,1,0,0,0,0|3,0,0]=4 2031 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,1,0,0,0,0|3,0,0]=4 2032 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [0,1,0,0,0,0|3,0,0]=4 2033 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [0,1,0,0,0,0|3,0,0]=4 2034 B8R0.6 CSCSC[C@@H](O)CF 62a_100011218213_100015614560 [0,1,0,0,0,0|3,0,0]=4 2035 B8R0.6 CSCSC[C@@H](O)CF 62a_100015614560_100011218213 [0,1,0,0,0,0|3,0,0]=4 2036 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,1,0,0,0,0|3,0,0]=4 2037 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,1,0,0,0,0|3,0,0]=4 2038 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,1,0,0,0,0|3,0,0]=4 2039 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,1,0,0,0,0|3,0,0]=4 2040 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,1,0,0,0,0|3,0,0]=4 2041 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,1,0,0,0,0|3,0,0]=4 2042 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [0,1,0,0,0,0|3,0,0]=4 2043 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [0,1,0,0,0,0|3,0,0]=4 2044 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,1,0,0,0,0|3,0,0]=4 2045 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,1,0,0,0,0|3,0,0]=4 2046 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,1,0,0,0,0|3,0,0]=4 2047 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,1,0,0,0,0|3,0,0]=4 2048 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,1,0,0,0,0|3,0,0]=4 2049 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,1,0,0,0,0|3,0,0]=4 2050 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,1,0,0,0,0|3,0,0]=4 2051 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,1,0,0,0,0|3,0,0]=4 2052 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,1,0,0,0,0|3,0,0]=4 2053 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,1,0,0,0,0|3,0,0]=4 2054 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,1,0,0,0,0|3,0,0]=4 2055 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,1,0,0,0,0|3,0,0]=4 2056 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,1,0,0,0,0|3,0,0]=4 2057 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,1,0,0,0,0|3,0,0]=4 2058 B8R0.7 C#CCCSCC(C)C 62a_100000210624_100000688953 [0,1,0,0,0,0|1,0,2]=4 2059 B8R0.7 C#CCCSCC(C)C 62a_100000688953_100000210760 [0,1,0,0,0,0|1,0,2]=4 2060 B8R0.7 C#CCCSCC(C)O 62a_100000688953_100011218427 [0,1,0,0,0,0|1,0,2]=4 2061 B8R0.7 C#CCCSCC(C)O 62a_100011218427_100000688953 [0,1,0,0,0,0|1,0,2]=4 2062 B8R0.7 C#CCCSC[C@@H](C)O 62a_100000688953_100009817552 [0,1,0,0,0,0|1,0,2]=4 2063 B8R0.7 C#CCCSC[C@@H](C)O 62a_100009817552_100000688953 [0,1,0,0,0,0|1,0,2]=4 2064 B8R0.7 C#CCSCCC(C)C 62a_100000038162_100000210312 [0,1,0,0,0,0|1,0,2]=4 2065 B8R0.7 C#CCSCCC(C)O 62a_100000038162_100012276601 [0,1,0,0,0,0|1,0,2]=4 2066 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [0,1,0,0,0,0|1,0,2]=4 2067 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [0,1,0,0,0,0|1,0,2]=4 2068 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [0,1,0,0,0,0|1,0,2]=4 2069 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [0,1,0,0,0,0|1,0,2]=4 2070 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [0,1,0,0,0,0|1,0,2]=4 2071 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [0,1,0,0,0,0|1,0,2]=4 2072 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,1,0,0,0,0|1,1,1]=4 2073 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,1,0,0,0,0|1,1,1]=4 2074 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,1,0,0,0,0|1,0,1]=3 2075 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,1,0,0,0,0|1,0,1]=3 2076 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,1,0,0,0,0|2,0,1]=4 2077 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,1,0,0,0,0|2,0,1]=4 2078 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,1,0,0,0,0|2,0,1]=4 2079 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,1,0,0,0,0|2,0,1]=4 2080 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,1,0,0,0,0|2,0,1]=4 2081 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,1,0,0,0,0|2,0,1]=4 2082 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,1,0,0,0,0|2,0,1]=4 2083 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,1,0,0,0,0|2,0,1]=4 2084 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,1,0,0,0,0|2,0,1]=4 2085 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,1,0,0,0,0|2,0,1]=4 2086 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,1,0,0,0,0|1,1,1]=4 2087 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,1,0,0,0,0|1,1,1]=4 2088 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,1,0,0,0,0|1,1,1]=4 2089 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,1,0,0,0,0|1,0,1]=3 2090 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,1,0,0,0,0|1,0,1]=3 2091 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,1,0,0,0,0|2,0,1]=4 2092 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,1,0,0,0,0|2,0,1]=4 2093 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,1,0,0,0,0|2,0,1]=4 2094 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,1,0,0,0,0|2,0,1]=4 2095 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,1,0,0,0,0|2,0,1]=4 2096 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,1,0,0,0,0|2,0,1]=4 2097 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,1,0,0,0,0|2,0,1]=4 2098 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,1,0,0,0,0|2,0,1]=4 2099 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [0,1,0,0,0,0|2,0,1]=4 2100 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [0,1,0,0,0,0|2,0,1]=4 2101 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,1,0,0,0,0|1,0,2]=4 2102 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,1,0,0,0,0|1,0,2]=4 2103 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,1,0,0,0,0|1,0,2]=4 2104 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,1,0,0,0,0|1,0,2]=4 2105 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,1,0,0,0,0|1,0,2]=4 2106 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,1,0,0,0,0|1,0,2]=4 2107 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,1,0,0,0,0|1,0,2]=4 2108 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,1,0,0,0,0|1,0,2]=4 2109 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,1,0,0,0,0|1,0,2]=4 2110 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,1,0,0,0,0|1,0,2]=4 2111 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [0,1,0,0,0,0|1,0,2]=4 2112 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [0,1,0,0,0,0|1,0,2]=4 2113 B8R0.7 CC#CCSCC(C)C 62a_100000210624_100000748600 [0,1,0,0,0,0|1,0,2]=4 2114 B8R0.7 CC#CCSCC(C)C 62a_100000748600_100000210760 [0,1,0,0,0,0|1,0,2]=4 2115 B8R0.7 CC#CCSCC(C)O 62a_100000748600_100011218427 [0,1,0,0,0,0|1,0,2]=4 2116 B8R0.7 CC#CCSCC(C)O 62a_100011218427_100000748600 [0,1,0,0,0,0|1,0,2]=4 2117 B8R0.7 CC#CCSC[C@@H](C)O 62a_100000748600_100009817552 [0,1,0,0,0,0|1,0,2]=4 2118 B8R0.7 CC#CCSC[C@@H](C)O 62a_100009817552_100000748600 [0,1,0,0,0,0|1,0,2]=4 2119 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,0,0,0,0|2,0,1]=4 2120 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,0,0,0,0|2,0,1]=4 2121 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,0,0,0,0|2,0,1]=4 2122 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,0,0,0,0|2,0,1]=4 2123 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [0,1,0,0,0,0|2,1,0]=4 2124 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,1,0,0,0,0|2,1,0]=4 2125 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [0,1,0,0,0,0|2,1,0]=4 2126 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [0,1,0,0,0,0|2,1,0]=4 2127 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,1,0,0,0,0|3,0,0]=4 2128 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,1,0,0,0,0|3,0,0]=4 2129 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,1,0,0,0,0|3,0,0]=4 2130 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,1,0,0,0,0|3,0,0]=4 2131 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,1,0,0,0,0|3,0,0]=4 2132 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,1,0,0,0,0|3,0,0]=4 2133 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,1,0,0,0,0|3,0,0]=4 2134 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,1,0,0,0,0|3,0,0]=4 2135 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,1,0,0,0,0|3,0,0]=4 2136 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [0,1,0,0,0,0|2,1,0]=4 2137 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [0,1,0,0,0,0|2,1,0]=4 2138 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [0,1,0,0,0,0|2,1,0]=4 2139 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [0,1,0,0,0,0|2,1,0]=4 2140 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,1,0,0,0,0|2,1,0]=4 2141 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,1,0,0,0,0|2,1,0]=4 2142 B8R0.7 CC(C)CCSCC#N 62a_100000210312_100011215382 [0,1,0,0,0,0|2,0,1]=4 2143 B8R0.7 CC(C)CCSCC#N 62a_100011215382_100000210312 [0,1,0,0,0,0|2,0,1]=4 2144 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,1,0,0,0,0|2,0,1]=4 2145 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,1,0,0,0,0|2,0,1]=4 2146 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,1,0,0,0,0|2,0,0]=3 2147 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,1,0,0,0,0|2,0,0]=3 2148 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,0,0,0,0|2,0,0]=3 2149 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,0,0,0,0|2,0,0]=3 2150 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,1,0,0,0,0|3,0,0]=4 2151 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,1,0,0,0,0|3,0,0]=4 2152 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,1,0,0,0,0|3,0,0]=4 2153 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,1,0,0,0,0|3,0,0]=4 2154 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,1,0,0,0,0|3,0,0]=4 2155 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,1,0,0,0,0|3,0,0]=4 2156 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,1,0,0,0,0|3,0,0]=4 2157 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,1,0,0,0,0|3,0,0]=4 2158 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,1,0,0,0,0|3,0,0]=4 2159 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [0,1,0,0,0,0|2,1,0]=4 2160 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,1,0,0,0,0|2,1,0]=4 2161 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [0,1,0,0,0,0|2,1,0]=4 2162 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [0,1,0,0,0,0|2,1,0]=4 2163 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,1,0,0,0,0|2,1,0]=4 2164 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,1,0,0,0,0|2,1,0]=4 2165 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [0,1,0,0,0,0|2,1,0]=4 2166 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [0,1,0,0,0,0|2,1,0]=4 2167 B8R0.7 CC(C)CSCCC#N 62a_100000210624_100011215226 [0,1,0,0,0,0|2,0,1]=4 2168 B8R0.7 CC(C)CSCCC#N 62a_100011215226_100000210760 [0,1,0,0,0,0|2,0,1]=4 2169 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,1,0,0,0,0|2,0,0]=3 2170 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,1,0,0,0,0|2,0,0]=3 2171 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,0,0,0,0|2,0,0]=3 2172 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,0,0,0,0|2,0,0]=3 2173 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,1,0,0,0,0|2,0,0]=3 2174 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,1,0,0,0,0|2,0,0]=3 2175 B8R0.7 CC(C)OCSCCF 62a_100000709892_100011217306 [0,1,0,0,0,0|3,0,0]=4 2176 B8R0.7 CC(C)OCSCCF 62a_100011217306_100000709892 [0,1,0,0,0,0|3,0,0]=4 2177 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [0,1,0,0,0,0|3,0,0]=4 2178 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [0,1,0,0,0,0|3,0,0]=4 2179 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [0,1,0,0,0,0|2,1,0]=4 2180 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [0,1,0,0,0,0|2,1,0]=4 2181 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,1,0,0,0,0|3,0,0]=4 2182 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,1,0,0,0,0|3,0,0]=4 2183 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,1,0,0,0,0|3,0,0]=4 2184 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,1,0,0,0,0|3,0,0]=4 2185 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,1,0,0,0,0|3,0,0]=4 2186 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,1,0,0,0,0|2,1,0]=4 2187 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,1,0,0,0,0|2,1,0]=4 2188 B8R0.7 CC(O)CCSCC#N 62a_100011215382_100012276601 [0,1,0,0,0,0|2,0,1]=4 2189 B8R0.7 CC(O)CCSCC#N 62a_100012276601_100011215382 [0,1,0,0,0,0|2,0,1]=4 2190 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,1,0,0,0,0|2,0,1]=4 2191 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,1,0,0,0,0|2,0,1]=4 2192 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,1,0,0,0,0|2,0,0]=3 2193 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,1,0,0,0,0|2,0,0]=3 2194 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,1,0,0,0,0|2,0,0]=3 2195 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,1,0,0,0,0|2,0,0]=3 2196 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,1,0,0,0,0|3,0,0]=4 2197 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,1,0,0,0,0|3,0,0]=4 2198 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,1,0,0,0,0|3,0,0]=4 2199 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,1,0,0,0,0|3,0,0]=4 2200 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,1,0,0,0,0|3,0,0]=4 2201 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,1,0,0,0,0|3,0,0]=4 2202 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,1,0,0,0,0|2,1,0]=4 2203 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,1,0,0,0,0|2,1,0]=4 2204 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,1,0,0,0,0|2,1,0]=4 2205 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,1,0,0,0,0|2,1,0]=4 2206 B8R0.7 CC(O)CSCCC#N 62a_100011215226_100011218427 [0,1,0,0,0,0|2,0,1]=4 2207 B8R0.7 CC(O)CSCCC#N 62a_100011218427_100011215226 [0,1,0,0,0,0|2,0,1]=4 2208 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,1,0,0,0,0|2,0,0]=3 2209 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,1,0,0,0,0|2,0,0]=3 2210 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,1,0,0,0,0|2,0,0]=3 2211 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,1,0,0,0,0|2,0,0]=3 2212 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [0,1,0,0,0,0|1,0,2]=4 2213 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [0,1,0,0,0,0|1,0,2]=4 2214 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [0,1,0,0,0,0|1,0,2]=4 2215 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [0,1,0,0,0,0|1,0,2]=4 2216 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [0,1,0,0,0,0|1,0,2]=4 2217 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [0,1,0,0,0,0|1,0,2]=4 2218 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,0,0,0,0|2,0,1]=4 2219 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,0,0,0,0|2,0,1]=4 2220 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [0,1,0,0,0,0|2,0,1]=4 2221 B8R0.7 CCCC=NNC(C)C 4a_100000741168_100000185831 [0,1,0,0,0,0|3,0,0]=4 2222 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,0,0,0,0|2,0,1]=4 2223 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,0,0,0,0|2,0,1]=4 2224 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,0,0,0,0|2,0,1]=4 2225 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,1,0,0,0,0|3,0,0]=4 2226 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,1,0,0,0,0|3,0,0]=4 2227 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,1,0,0,0,0|3,0,0]=4 2228 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,1,0,0,0,0|3,0,0]=4 2229 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,1,0,0,0,0|3,0,0]=4 2230 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,1,0,0,0,0|3,0,0]=4 2231 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,1,0,0,0,0|3,0,0]=4 2232 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,1,0,0,0,0|3,0,0]=4 2233 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,1,0,0,0,0|3,0,0]=4 2234 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,1,0,0,0,0|3,0,0]=4 2235 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,1,0,0,0,0|3,0,0]=4 2236 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,1,0,0,0,0|3,0,0]=4 2237 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,1,0,0,0,0|3,0,0]=4 2238 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,1,0,0,0,0|3,0,0]=4 2239 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,1,0,0,0,0|2,0,0]=3 2240 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,1,0,0,0,0|2,0,0]=3 2241 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,1,0,0,0,0|2,0,0]=3 2242 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,1,0,0,0,0|2,0,0]=3 2243 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,1,0,0,0,0|2,0,0]=3 2244 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,1,0,0,0,0|2,0,0]=3 2245 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,1,0,0,0,0|2,0,0]=3 2246 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,1,0,0,0,0|2,0,0]=3 2247 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,1,0,0,0,0|2,0,0]=3 2248 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [0,1,0,0,0,0|3,0,0]=4 2249 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [0,1,0,0,0,0|3,0,0]=4 2250 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [0,1,0,0,0,0|3,0,0]=4 2251 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,1,0,0,0,0|2,0,0]=3 2252 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,1,0,0,0,0|2,0,0]=3 2253 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,1,0,0,0,0|1,1,1]=4 2254 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,1,0,0,0,0|1,1,1]=4 2255 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,1,0,0,0,0|1,1,1]=4 2256 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,1,0,0,0,0|1,1,1]=4 2257 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [0,1,0,0,0,0|1,1,0]=3 2258 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,1,0,0,0,0|1,1,0]=3 2259 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,1,0,0,0,0|1,1,0]=3 2260 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,1,0,0,0,0|1,1,0]=3 2261 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [0,1,0,0,0,0|1,1,0]=3 2262 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,1,0,0,0,0|1,1,0]=3 2263 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,1,0,0,0,0|1,1,0]=3 2264 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [0,1,0,0,0,0|2,1,0]=4 2265 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [0,1,0,0,0,0|2,1,0]=4 2266 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [0,1,0,0,0,0|2,1,0]=4 2267 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [0,1,0,0,0,0|2,1,0]=4 2268 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [0,1,0,0,0,0|2,1,0]=4 2269 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [0,1,0,0,0,0|1,1,0]=3 2270 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [0,1,0,0,0,0|1,1,0]=3 2271 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,1,0,0,0,0|1,1,0]=3 2272 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,1,0,0,0,0|1,1,0]=3 2273 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,0,0,0,0|1,0,1]=3 2274 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,1,0,0,0,0|2,0,1]=4 2275 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,1,0,0,0,0|2,0,1]=4 2276 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,0,0,0,0|1,0,1]=3 2277 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,1,0,0,0,0|2,0,1]=4 2278 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,1,0,0,0,0|2,0,1]=4 2279 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,1,0,0,0,0|1,0,0]=2 2280 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,1,0,0,0,0|1,0,0]=2 2281 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,1,0,0,0,0|1,0,0]=2 2282 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,1,0,0,0,0|1,0,0]=2 2283 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [0,1,0,0,0,0|2,0,0]=3 2284 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [0,1,0,0,0,0|2,0,0]=3 2285 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,1,0,0,0,0|1,0,0]=2 2286 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,1,0,0,0,0|1,0,0]=2 2287 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,1,0,0,0,0|3,0,0]=4 2288 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,1,0,0,0,0|2,0,0]=3 2289 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,1,0,0,0,0|2,0,0]=3 2290 B8R0.7 CCCNN=CC(C)C 4a_100000740057_100000210432 [0,1,0,0,0,0|2,0,1]=4 2291 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,1,0,0,0,0|1,1,1]=4 2292 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,1,0,0,0,0|1,1,1]=4 2293 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,1,0,0,0,0|1,1,1]=4 2294 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [0,1,0,0,0,0|1,1,0]=3 2295 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,1,0,0,0,0|1,1,0]=3 2296 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,1,0,0,0,0|1,1,0]=3 2297 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,1,0,0,0,0|1,1,0]=3 2298 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,1,0,0,0,0|1,1,0]=3 2299 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [0,1,0,0,0,0|2,1,0]=4 2300 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [0,1,0,0,0,0|2,1,0]=4 2301 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [0,1,0,0,0,0|2,1,0]=4 2302 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [0,1,0,0,0,0|1,1,0]=3 2303 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [0,1,0,0,0,0|2,1,0]=4 2304 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,1,0,0,0,0|1,0,2]=4 2305 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,1,0,0,0,0|1,0,2]=4 2306 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,0,0,0,0|1,0,1]=3 2307 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,0,0,0,0|1,0,1]=3 2308 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,0,0,0,0|2,0,1]=4 2309 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,0,0,0,0|2,0,1]=4 2310 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,1,0,0,0,0|1,0,0]=2 2311 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,1,0,0,0,0|1,0,0]=2 2312 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,1,0,0,0,0|1,0,0]=2 2313 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,1,0,0,0,0|1,0,0]=2 2314 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [0,1,0,0,0,0|2,0,0]=3 2315 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,0,0,0,0|2,0,1]=4 2316 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,0,0,0,0|2,0,1]=4 2317 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [0,1,0,0,0,0|2,0,0]=3 2318 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [0,1,0,0,0,0|2,0,0]=3 2319 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,1,0,0,0,0|3,0,0]=4 2320 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,1,0,0,0,0|3,0,0]=4 2321 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,1,0,0,0,0|3,0,0]=4 2322 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,1,0,0,0,0|3,0,0]=4 2323 B8R0.7 CCNN=CCC(C)C 4a_100000756455_100000185833 [0,1,0,0,0,0|3,0,0]=4 2324 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,1,0,0,0,0|3,0,0]=4 2325 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,1,0,0,0,0|3,0,0]=4 2326 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,1,0,0,0,0|3,0,0]=4 2327 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,1,0,0,0,0|3,0,0]=4 2328 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [0,1,0,0,0,0|2,0,0]=3 2329 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [0,1,0,0,0,0|2,0,0]=3 2330 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,1,0,0,0,0|2,0,0]=3 2331 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,1,0,0,0,0|2,0,0]=3 2332 B8R0.7 CCOCSCC(F)F 62a_100000739092_100011934356 [0,1,0,0,0,0|3,0,0]=4 2333 B8R0.7 CCOCSCC(F)F 62a_100011934356_100000739092 [0,1,0,0,0,0|3,0,0]=4 2334 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,1,0,0,0,0|2,0,0]=3 2335 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,1,0,0,0,0|2,0,0]=3 2336 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,1,0,0,0,0|3,0,0]=4 2337 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,1,0,0,0,0|3,0,0]=4 2338 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,1,0,0,0,0|3,0,0]=4 2339 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,1,0,0,0,0|3,0,0]=4 2340 B8R0.7 CN(C)CCSCCF 62a_100011217306_100000755713 [0,1,0,0,0,0|3,0,0]=4 2341 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [0,1,0,0,0,0|3,0,0]=4 2342 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,1,0,0,0,0|3,0,0]=4 2343 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,1,0,0,0,0|3,0,0]=4 2344 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,1,0,0,0,0|3,0,0]=4 2345 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,1,0,0,0,0|3,0,0]=4 2346 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,1,0,0,0,0|3,0,0]=4 2347 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,1,0,0,0,0|3,0,0]=4 2348 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,1,0,0,0,0|3,0,0]=4 2349 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,1,0,0,0,0|3,0,0]=4 2350 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,1,0,0,0,0|3,0,0]=4 2351 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,1,0,0,0,0|3,0,0]=4 2352 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,1,0,0,0,0|3,0,0]=4 2353 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,1,0,0,0,0|3,0,0]=4 2354 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,1,0,0,0,0|3,0,0]=4 2355 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,1,0,0,0,0|3,0,0]=4 2356 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,1,0,0,0,0|3,0,0]=4 2357 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [0,1,0,0,0,0|2,1,0]=4 2358 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [0,1,0,0,0,0|2,1,0]=4 2359 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [0,1,0,0,0,0|2,1,0]=4 2360 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [0,1,0,0,0,0|2,1,0]=4 2361 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [0,1,0,0,0,0|2,1,0]=4 2362 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [0,1,0,0,0,0|2,1,0]=4 2363 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [0,1,0,0,0,0|2,1,0]=4 2364 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [0,1,0,0,0,0|2,1,0]=4 2365 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [0,1,0,0,0,0|2,1,0]=4 2366 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [0,1,0,0,0,0|2,1,0]=4 2367 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,1,0,0,0,0|2,0,0]=3 2368 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,1,0,0,0,0|2,0,0]=3 2369 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,1,0,0,0,0|2,0,0]=3 2370 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,1,0,0,0,0|2,0,0]=3 2371 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,1,0,0,0,0|2,0,0]=3 2372 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,1,0,0,0,0|2,0,0]=3 2373 B8R0.7 COCCSCC(F)F 62a_100000233755_100011934356 [0,1,0,0,0,0|3,0,0]=4 2374 B8R0.7 COCCSCC(F)F 62a_100011934356_100000233755 [0,1,0,0,0,0|3,0,0]=4 2375 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,1,0,0,0,0|2,0,0]=3 2376 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,1,0,0,0,0|2,0,0]=3 2377 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,1,0,0,0,0|3,0,0]=4 2378 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,1,0,0,0,0|2,0,1]=4 2379 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,1,0,0,0,0|2,0,1]=4 2380 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,1,0,0,0,0|2,0,0]=3 2381 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,1,0,0,0,0|2,0,0]=3 2382 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,1,0,0,0,0|2,0,0]=3 2383 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,1,0,0,0,0|2,0,0]=3 2384 B8R0.7 COCSCCN(C)C 62a_100000766300_100000755713 [0,1,0,0,0,0|3,0,0]=4 2385 B8R0.7 COCSCOC(C)C 62a_100000709892_100000766300 [0,1,0,0,0,0|3,0,0]=4 2386 B8R0.7 COCSCOC(C)C 62a_100000766300_100000709892 [0,1,0,0,0,0|3,0,0]=4 2387 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,1,0,0,0,0|3,0,0]=4 2388 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,1,0,0,0,0|3,0,0]=4 2389 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,1,0,0,0,0|3,0,0]=4 2390 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,1,0,0,0,0|3,0,0]=4 2391 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,1,0,0,0,0|3,0,0]=4 2392 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,1,0,0,0,0|3,0,0]=4 2393 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,1,0,0,0,0|3,0,0]=4 2394 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,1,0,0,0,0|3,0,0]=4 2395 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,1,0,0,0,0|3,0,0]=4 2396 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,1,0,0,0,0|3,0,0]=4 2397 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [0,1,0,0,0,0|2,1,0]=4 2398 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,1,0,0,0,0|2,1,0]=4 2399 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,1,0,0,0,0|2,1,0]=4 2400 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,1,0,0,0,0|2,1,0]=4 2401 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [0,1,0,0,0,0|2,1,0]=4 2402 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,1,0,0,0,0|2,1,0]=4 2403 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,1,0,0,0,0|2,1,0]=4 2404 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [0,1,0,0,0,0|2,1,0]=4 2405 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [0,1,0,0,0,0|2,1,0]=4 2406 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,1,0,0,0,0|2,1,0]=4 2407 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,1,0,0,0,0|2,1,0]=4 2408 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,1,0,0,0,0|2,0,0]=3 2409 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,1,0,0,0,0|2,0,0]=3 2410 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,1,0,0,0,0|2,0,0]=3 2411 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,1,0,0,0,0|2,0,0]=3 2412 B8R0.7 CSCCSCC(F)F 62a_100000212216_100011934356 [0,1,0,0,0,0|3,0,0]=4 2413 B8R0.7 CSCCSCC(F)F 62a_100011934356_100000751147 [0,1,0,0,0,0|3,0,0]=4 2414 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,1,0,0,0,0|2,0,0]=3 2415 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,1,0,0,0,0|2,0,0]=3 2416 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,1,0,0,0,0|3,0,0]=4 2417 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [0,1,0,0,0,0|2,1,0]=4 2418 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,1,0,0,0,0|2,1,0]=4 2419 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [0,1,0,0,0,0|2,1,0]=4 2420 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,1,0,0,0,0|2,0,1]=4 2421 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,1,0,0,0,0|2,0,1]=4 2422 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,1,0,0,0,0|2,0,0]=3 2423 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,1,0,0,0,0|2,0,0]=3 2424 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,1,0,0,0,0|2,0,0]=3 2425 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,1,0,0,0,0|2,0,0]=3 2426 B8R0.7 CSCSCCN(C)C 62a_100011218213_100000755713 [0,1,0,0,0,0|3,0,0]=4 2427 B8R0.7 CSCSCOC(C)C 62a_100000709892_100011218213 [0,1,0,0,0,0|3,0,0]=4 2428 B8R0.7 CSCSCOC(C)C 62a_100011218213_100000709892 [0,1,0,0,0,0|3,0,0]=4 2429 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [0,1,0,0,0,0|2,1,0]=4 2430 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [0,1,0,0,0,0|2,1,0]=4 2431 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [0,1,0,0,0,0|2,1,0]=4 2432 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|2,1,0]=4 2433 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [0,1,0,0,0,0|2,1,0]=4 2434 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [0,1,0,0,0,0|2,1,0]=4 2435 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,1,0,0,0,0|3,0,0]=4 2436 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,1,0,0,0,0|3,0,0]=4 2437 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,1,0,0,0,0|2,1,0]=4 2438 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,1,0,0,0,0|2,1,0]=4 2439 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,1,0,0,0,0|2,1,0]=4 2440 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,1,0,0,0,0|2,1,0]=4 2441 B8R0.7 C[C@@H](O)CSCCC#N 62a_100009817552_100011215226 [0,1,0,0,0,0|2,0,1]=4 2442 B8R0.7 C[C@@H](O)CSCCC#N 62a_100011215226_100009817552 [0,1,0,0,0,0|2,0,1]=4 2443 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,1,0,0,0,0|2,0,0]=3 2444 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,1,0,0,0,0|2,0,0]=3 2445 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,1,0,0,0,0|2,0,0]=3 2446 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,1,0,0,0,0|2,0,0]=3 2447 B8R0.7 FCCCSCC(F)F 62a_100011934356_100011934791 [0,1,0,0,0,0|3,0,0]=4 2448 B8R0.7 FCCCSCC(F)F 62a_100011934791_100011934356 [0,1,0,0,0,0|3,0,0]=4 2449 B8R0.7 OCCCSCC(F)F 62a_100011215043_100011934356 [0,1,0,0,0,0|3,0,0]=4 2450 B8R0.7 OCCCSCC(F)F 62a_100011934356_100011215043 [0,1,0,0,0,0|3,0,0]=4 2451 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,0,0,1,0,0|2,1,0]=4 2452 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,0,0,1,0,0|2,1,0]=4 2453 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,0,0,1,0,0|2,1,0]=4 2454 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,0,0,1,0,0|3,0,0]=4 2455 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,0,0,1,0,0|3,0,0]=4 2456 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,0,0,1,0,0|3,0,0]=4 2457 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,0,0,1,0,0|3,0,0]=4 2458 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,0,0,1,0,0|3,0,0]=4 2459 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,0,0,1,0,0|3,0,0]=4 2460 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,0,0,1,0,0|3,0,0]=4 2461 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,0,0,1,0,0|2,1,0]=4 2462 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,0,0,1,0,0|2,1,0]=4 2463 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,0,0,1,0,0|2,1,0]=4 2464 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,0,0,1,0,0|2,1,0]=4 2465 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,0,0,1,0,0|2,1,0]=4 2466 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,0,0,1,0,0|2,0,0]=3 2467 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,0,0,1,0,0|3,0,0]=4 2468 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,0,0,1,0,0|3,0,0]=4 2469 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,0,0,1,0,0|3,0,0]=4 2470 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,0,0,1,0,0|3,0,0]=4 2471 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,0,0,1,0,0|2,1,0]=4 2472 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,0,0,1,0,0|2,1,0]=4 2473 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,0,0,1,0,0|2,1,0]=4 2474 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,0,0,1,0,0|2,0,0]=3 2475 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,0,0,1,0,0|3,0,0]=4 2476 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,0,0,1,0,0|3,0,0]=4 2477 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,0,0,1,0,0|3,0,0]=4 2478 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,0,0,1,0,0|3,0,0]=4 2479 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,0,0,1,0,0|2,1,0]=4 2480 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,0,0,1,0,0|3,0,0]=4 2481 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,0,0,1,0,0|3,0,0]=4 2482 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,0,0,1,0,0|2,1,0]=4 2483 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,0,0,1,0,0|2,1,0]=4 2484 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,0,0,1,0,0|3,0,0]=4 2485 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,0,0,1,0,0|3,0,0]=4 2486 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,0,0,1,0,0|3,0,0]=4 2487 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,0,0,1,0,0|2,1,0]=4 2488 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,0,0,1,0,0|2,1,0]=4 2489 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,0,0,1,0,0|2,0,0]=3 2490 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,0,0,1,0,0|3,0,0]=4 2491 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,0,0,1,0,0|3,0,0]=4 2492 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,0,0,1,0,0|3,0,0]=4 2493 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,0,0,1,0,0|3,0,0]=4 2494 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,0,0,1,0,0|2,1,0]=4 2495 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 2496 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 2497 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 2498 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 2499 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 2500 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 2501 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,0,0,1,0,0|2,1,0]=4 2502 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,0,0,1,0,0|2,1,0]=4 2503 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,0,0,1,0,0|2,1,0]=4 2504 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,0,0,1,0,0|2,1,0]=4 2505 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,0,0,1,0,0|2,1,0]=4 2506 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,0,0,1,0,0|2,1,0]=4 2507 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,0,0,1,0,0|2,0,0]=3 2508 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,0,0,1,0,0|2,0,0]=3 2509 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,0,0,1,0,0|3,0,0]=4 2510 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,0,0,1,0,0|3,0,0]=4 2511 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,0,0,1,0,0|3,0,0]=4 2512 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,0,0,1,0,0|3,0,0]=4 2513 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,0,0,1,0,0|3,0,0]=4 2514 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,0,0,1,0,0|3,0,0]=4 2515 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,1,0,0|3,0,0]=4 2516 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,1,0,0|3,0,0]=4 2517 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,1,0,0|3,0,0]=4 2518 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,0,0,1,0,0|2,1,0]=4 2519 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,0,0,1,0,0|3,0,0]=4 2520 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,0,0,1,0,0|3,0,0]=4 2521 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,0,0,1,0,0|3,0,0]=4 2522 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,0,0,1,0,0|3,0,0]=4 2523 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,0,0,1,0,0|3,0,0]=4 2524 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,0,0,1,0,0|3,0,0]=4 2525 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,0,0,1,0,0|3,0,0]=4 2526 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,0,0,1,0,0|3,0,0]=4 2527 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,0,0,1,0,0|2,1,0]=4 2528 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,0,0,1,0,0|2,1,0]=4 2529 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,0,0,1,0,0|2,1,0]=4 2530 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,0,0,1,0,0|2,1,0]=4 2531 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,0,0,1,0,0|3,0,0]=4 2532 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,0,0,1,0,0|3,0,0]=4 2533 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,0,0,1,0,0|3,0,0]=4 2534 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,0,0,1,0,0|2,1,0]=4 2535 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,0,0,1,0,0|2,1,0]=4 2536 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [0,0,0,1,0,0|3,0,0]=4 2537 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [0,0,0,1,0,0|3,0,0]=4 2538 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [0,0,0,1,0,0|3,0,0]=4 2539 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,0,0,1,0,0|3,0,0]=4 2540 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,0,0,1,0,0|3,0,0]=4 2541 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,0,0,1,0,0|2,1,0]=4 2542 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,0,0,1,0,0|2,1,0]=4 2543 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [0,0,0,1,0,0|3,0,0]=4 2544 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [0,0,0,1,0,0|3,0,0]=4 2545 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [0,0,0,1,0,0|3,0,0]=4 2546 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [0,0,0,1,0,0|3,0,0]=4 2547 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [0,0,0,1,0,0|3,0,0]=4 2548 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [0,0,0,1,0,0|3,0,0]=4 2549 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,0,0,1,0,0|3,0,0]=4 2550 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,0,0,1,0,0|3,0,0]=4 2551 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,0,0,1,0,0|2,1,0]=4 2552 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,0,0,1,0,0|2,1,0]=4 2553 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,0,0,1,0,0|3,0,0]=4 2554 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,0,0,1,0,0|3,0,0]=4 2555 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,0,0,1,0,0|2,1,0]=4 2556 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,0,0,1,0,0|2,1,0]=4 2557 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [0,0,0,1,0,0|3,0,0]=4 2558 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,0,0,1,0,0|3,0,0]=4 2559 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,0,0,1,0,0|3,0,0]=4 2560 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,0,0,1,0,0|2,1,0]=4 2561 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,0,0,1,0,0|2,1,0]=4 2562 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [0,0,0,1,0,0|3,0,0]=4 2563 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [0,0,0,1,0,0|3,0,0]=4 2564 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [0,0,0,1,0,0|3,0,0]=4 2565 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,0,0,1,0,0|3,0,0]=4 2566 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,0,0,1,0,0|3,0,0]=4 2567 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [0,0,0,1,0,0|2,1,0]=4 2568 B8R1.10 C#CCSC1CCC1 62a_100000038162_100000749161 [0,0,0,1,0,0|1,0,2]=4 2569 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [0,0,0,1,0,0|1,0,2]=4 2570 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [0,0,0,1,0,0|2,0,0]=3 2571 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [0,0,0,1,0,0|2,0,0]=3 2572 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [0,0,0,1,0,0|2,0,0]=3 2573 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [0,0,0,1,0,0|2,0,0]=3 2574 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [0,0,0,1,0,0|3,0,0]=4 2575 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [0,0,0,1,0,0|1,1,0]=3 2576 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [0,0,0,1,0,0|1,1,0]=3 2577 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [0,0,0,1,0,0|2,1,0]=4 2578 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [0,0,0,1,0,0|2,1,0]=4 2579 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [0,0,0,1,0,0|1,0,0]=2 2580 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [0,0,0,1,0,0|2,0,0]=3 2581 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [0,0,0,1,0,0|3,0,0]=4 2582 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [0,0,0,1,0,0|3,0,0]=4 2583 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [0,0,0,1,0,0|3,0,0]=4 2584 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [0,0,0,1,0,0|3,0,0]=4 2585 B8R1.10 CCNN=C1CCC1 4a_100000756455_100000241760 [0,0,0,1,0,0|3,0,0]=4 2586 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [0,0,0,1,0,0|3,0,0]=4 2587 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [0,0,0,1,0,0|3,0,0]=4 2588 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [0,0,0,1,0,0|3,0,0]=4 2589 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [0,0,0,1,0,0|3,0,0]=4 2590 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [0,0,0,1,0,0|3,0,0]=4 2591 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [0,0,0,1,0,0|3,0,0]=4 2592 B8R1.10 COCNC1CCC1 2230a_100000749019_100000766300 [0,0,0,1,0,0|3,0,0]=4 2593 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [0,0,0,1,0,0|2,0,0]=3 2594 B8R1.10 COCSC1COC1 62a_100000766300_100009818527 [0,0,0,1,0,0|3,0,0]=4 2595 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [0,0,0,1,0,0|3,0,0]=4 2596 B8R1.10 CSCNC1CCC1 2230a_100000749019_100011218213 [0,0,0,1,0,0|3,0,0]=4 2597 B8R1.10 CSCNC1CCC1 34a_100000749019_100011218213 [0,0,0,1,0,0|3,0,0]=4 2598 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [0,0,0,1,0,0|2,1,0]=4 2599 B8R1.10 CSCSC1CCC1 62a_100011218213_100000749161 [0,0,0,1,0,0|2,0,0]=3 2600 B8R1.10 CSCSC1COC1 62a_100011218213_100009818527 [0,0,0,1,0,0|3,0,0]=4 2601 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [0,0,0,1,0,0|3,0,0]=4 2602 B8R1.10 FCCNC1CCC1 2230a_100000749019_100011217306 [0,0,0,1,0,0|3,0,0]=4 2603 B8R1.10 FCCNC1CCC1 34a_100000724931_100000749161 [0,0,0,1,0,0|3,0,0]=4 2604 B8R1.10 FCCNC1CCC1 34a_100000749019_100011217306 [0,0,0,1,0,0|3,0,0]=4 2605 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [0,0,0,1,0,0|2,1,0]=4 2606 B8R1.10 FCCSC1CCC1 62a_100011217306_100000749161 [0,0,0,1,0,0|2,0,0]=3 2607 B8R1.10 FCCSC1COC1 62a_100011217306_100009818527 [0,0,0,1,0,0|3,0,0]=4 2608 B8R1.10 N#CCSC1CCC1 62a_100011215382_100000749161 [0,0,0,1,0,0|2,0,1]=4 2609 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [0,0,0,1,0,0|2,1,0]=4 2610 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,0,0,1,0,0|2,0,1]=4 2611 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [0,0,0,1,0,0|3,0,0]=4 2612 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [0,0,0,1,0,0|3,0,0]=4 2613 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [0,0,0,1,0,0|3,0,0]=4 2614 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [0,0,0,1,0,0|3,0,0]=4 2615 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [0,0,0,1,0,0|3,0,0]=4 2616 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [0,0,0,1,0,0|2,1,0]=4 2617 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [0,0,0,1,0,0|2,0,0]=3 2618 B8R1.10 OCCSC1COC1 62a_100000211926_100009818527 [0,0,0,1,0,0|3,0,0]=4 2619 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,0,0,1,0,0|3,0,0]=4 2620 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,0,0,1,0,0|3,0,0]=4 2621 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [0,0,0,1,0,0|3,0,0]=4 2622 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [0,0,0,1,0,0|3,0,0]=4 2623 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [0,0,0,1,0,0|3,0,0]=4 2624 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [0,0,0,1,0,0|3,0,0]=4 2625 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [0,0,0,1,0,0|3,0,0]=4 2626 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [0,0,0,1,0,0|3,0,0]=4 2627 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 2628 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 2629 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 2630 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 2631 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 2632 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 2633 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,0,0,1,0,0|3,0,0]=4 2634 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,0,0,1,0,0|3,0,0]=4 2635 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,0,0,1,0,0|3,0,0]=4 2636 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,0,0,1,0,0|3,0,0]=4 2637 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,0,0,1,0,0|3,0,0]=4 2638 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,0,0,1,0,0|3,0,0]=4 2639 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,0,0,1,0,0|3,0,0]=4 2640 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,0,0,1,0,0|3,0,0]=4 2641 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,0,0,1,0,0|3,0,0]=4 2642 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,0,0,1,0,0|3,0,0]=4 2643 B8R1.13 CC1CCN1CCF 269982a_100000755817_100011217306 [0,0,0,1,0,0|3,0,0]=4 2644 B8R1.13 CC1CCN1CCF 34a_100000755817_100011217306 [0,0,0,1,0,0|3,0,0]=4 2645 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [0,0,0,1,0,0|3,0,0]=4 2646 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [0,0,0,1,0,0|3,0,0]=4 2647 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,0,0,1,0,0|2,0,0]=3 2648 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,0,0,1,0,0|2,0,0]=3 2649 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [0,0,0,1,0,0|3,0,0]=4 2650 B8R1.13 CSCN1CCC1C 269982a_100000755817_100011218213 [0,0,0,1,0,0|3,0,0]=4 2651 B8R1.13 CSCN1CCC1C 34a_100000755817_100011218213 [0,0,0,1,0,0|3,0,0]=4 2652 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 2653 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 2654 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 2655 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,0,0,1,0,0|2,1,0]=4 2656 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,0,0,1,0,0|2,1,0]=4 2657 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,0,0,1,0,0|2,1,0]=4 2658 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 2659 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 2660 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 2661 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,0,0,1,0,0|2,1,0]=4 2662 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,0,0,1,0,0|2,1,0]=4 2663 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,0,0,1,0,0|2,1,0]=4 2664 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [0,0,0,1,0,0|2,1,0]=4 2665 B8R1.36 BrCCOCC1CC1 34a_100000211926_100000742324 [0,0,0,1,0,0|2,1,0]=4 2666 B8R1.36 C#CCCSC1CC1 62a_100000688953_100000211595 [0,0,0,1,0,0|1,0,2]=4 2667 B8R1.36 C#CCSCC1CC1 62a_100000038162_100000742324 [0,0,0,1,0,0|1,0,2]=4 2668 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [0,0,0,1,0,0|1,0,2]=4 2669 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [0,0,0,1,0,0|1,0,2]=4 2670 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [0,0,0,1,0,0|1,0,2]=4 2671 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [0,0,0,1,0,0|1,0,2]=4 2672 B8R1.36 CC#CCSC1CC1 62a_100000748600_100000211595 [0,0,0,1,0,0|1,0,2]=4 2673 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [0,0,0,1,0,0|1,0,2]=4 2674 B8R1.36 CCC=NNC1CC1 4a_100000701032_100000210100 [0,0,0,1,0,0|2,0,1]=4 2675 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [0,0,0,1,0,0|2,0,0]=3 2676 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [0,0,0,1,0,0|1,1,0]=3 2677 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [0,0,0,1,0,0|1,0,0]=2 2678 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [0,0,0,1,0,0|2,0,0]=3 2679 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [0,0,0,1,0,0|2,0,0]=3 2680 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [0,0,0,1,0,0|2,0,0]=3 2681 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [0,0,0,1,0,0|1,1,0]=3 2682 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [0,0,0,1,0,0|1,1,0]=3 2683 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [0,0,0,1,0,0|2,1,0]=4 2684 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [0,0,0,1,0,0|2,1,0]=4 2685 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [0,0,0,1,0,0|1,0,0]=2 2686 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [0,0,0,1,0,0|1,0,0]=2 2687 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [0,0,0,1,0,0|2,0,0]=3 2688 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [0,0,0,1,0,0|2,0,0]=3 2689 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [0,0,0,1,0,0|2,0,0]=3 2690 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [0,0,0,1,0,0|2,0,0]=3 2691 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [0,0,0,1,0,0|2,0,0]=3 2692 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [0,0,0,1,0,0|2,0,0]=3 2693 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [0,0,0,1,0,0|3,0,0]=4 2694 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [0,0,0,1,0,0|3,0,0]=4 2695 B8R1.36 CCNN=CC1CC1 4a_100000756455_100000741477 [0,0,0,1,0,0|3,0,0]=4 2696 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [0,0,0,1,0,0|3,0,0]=4 2697 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [0,0,0,1,0,0|3,0,0]=4 2698 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [0,0,0,1,0,0|3,0,0]=4 2699 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [0,0,0,1,0,0|2,0,0]=3 2700 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [0,0,0,1,0,0|3,0,0]=4 2701 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [0,0,0,1,0,0|3,0,0]=4 2702 B8R1.36 CNCC#CC1CC1 2230a_106832991635_100009895102 [0,0,0,1,0,0|3,0,0]=4 2703 B8R1.36 CNCC#CC1CC1 34a_100102657272_100009895102 [0,0,0,1,0,0|3,0,0]=4 2704 B8R1.36 CNCC#CC1CC1 7a_106832991635_100009895102 [0,0,0,1,0,0|3,0,0]=4 2705 B8R1.36 COCC#CC1CC1 34a_100000083941_200000210301 [0,0,0,1,0,0|3,0,0]=4 2706 B8R1.36 COCC#CC1CC1 34a_100138415774_100009895102 [0,0,0,1,0,0|3,0,0]=4 2707 B8R1.36 COCC#CC1CC1 7a_100000083941_200000210301 [0,0,0,1,0,0|3,0,0]=4 2708 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [0,0,0,1,0,0|3,0,0]=4 2709 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [0,0,0,1,0,0|3,0,0]=4 2710 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [0,0,0,1,0,0|2,1,0]=4 2711 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [0,0,0,1,0,0|2,0,0]=3 2712 B8R1.36 COCNCC1CC1 2230a_100000735609_100000766300 [0,0,0,1,0,0|3,0,0]=4 2713 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [0,0,0,1,0,0|2,0,0]=3 2714 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [0,0,0,1,0,0|2,0,0]=3 2715 B8R1.36 COCSCC1CO1 62a_100000766300_102125554688 [0,0,0,1,0,0|3,0,0]=4 2716 B8R1.36 COCSCC1CO1 62a_102125554688_100000766300 [0,0,0,1,0,0|3,0,0]=4 2717 B8R1.36 COCSCC1CS1 62a_100000031435_100000766300 [0,0,0,1,0,0|3,0,0]=4 2718 B8R1.36 COCSCC1CS1 62a_100000766300_100000031435 [0,0,0,1,0,0|3,0,0]=4 2719 B8R1.36 COCSC[C@@H]1CO1 62a_100000745022_100000766300 [0,0,0,1,0,0|3,0,0]=4 2720 B8R1.36 COCSC[C@@H]1CO1 62a_100000766300_100000745022 [0,0,0,1,0,0|3,0,0]=4 2721 B8R1.36 CSCC#CC1CC1 62a_100009895102_200000210301 [0,0,0,1,0,0|3,0,0]=4 2722 B8R1.36 CSCC#CC1CC1 62a_200000210301_100009895102 [0,0,0,1,0,0|3,0,0]=4 2723 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [0,0,0,1,0,0|3,0,0]=4 2724 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [0,0,0,1,0,0|2,1,0]=4 2725 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [0,0,0,1,0,0|2,0,0]=3 2726 B8R1.36 CSCNCC1CC1 2230a_100000735609_100011218213 [0,0,0,1,0,0|3,0,0]=4 2727 B8R1.36 CSCNCC1CC1 34a_100000735609_100011218213 [0,0,0,1,0,0|3,0,0]=4 2728 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [0,0,0,1,0,0|2,1,0]=4 2729 B8R1.36 CSCSCC1CC1 62a_100000756562_100011218213 [0,0,0,1,0,0|2,0,0]=3 2730 B8R1.36 CSCSCC1CC1 62a_100011218213_100000742324 [0,0,0,1,0,0|2,0,0]=3 2731 B8R1.36 CSCSCC1CO1 62a_100011218213_102125554688 [0,0,0,1,0,0|3,0,0]=4 2732 B8R1.36 CSCSCC1CO1 62a_102125554688_100011218213 [0,0,0,1,0,0|3,0,0]=4 2733 B8R1.36 CSCSCC1CS1 62a_100000031435_100011218213 [0,0,0,1,0,0|3,0,0]=4 2734 B8R1.36 CSCSCC1CS1 62a_100011218213_100000031435 [0,0,0,1,0,0|3,0,0]=4 2735 B8R1.36 CSCSC[C@@H]1CO1 62a_100000745022_100011218213 [0,0,0,1,0,0|3,0,0]=4 2736 B8R1.36 CSCSC[C@@H]1CO1 62a_100011218213_100000745022 [0,0,0,1,0,0|3,0,0]=4 2737 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [0,0,0,1,0,0|2,1,0]=4 2738 B8R1.36 FCCCNC1CC1 34a_100000212008_100011934791 [0,0,0,1,0,0|3,0,0]=4 2739 B8R1.36 FCCCNC1CC1 34a_100015189416_100000211595 [0,0,0,1,0,0|3,0,0]=4 2740 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [0,0,0,1,0,0|2,1,0]=4 2741 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [0,0,0,1,0,0|2,0,0]=3 2742 B8R1.36 FCCNCC1CC1 2230a_100000735609_100011217306 [0,0,0,1,0,0|3,0,0]=4 2743 B8R1.36 FCCNCC1CC1 269862a_100000724931_100000741477 [0,0,0,1,0,0|3,0,0]=4 2744 B8R1.36 FCCNCC1CC1 34a_100000724931_100000742324 [0,0,0,1,0,0|3,0,0]=4 2745 B8R1.36 FCCNCC1CC1 34a_100000735609_100011217306 [0,0,0,1,0,0|3,0,0]=4 2746 B8R1.36 FCCOCC1CC1 34a_100000211283_100011217306 [0,0,0,1,0,0|2,1,0]=4 2747 B8R1.36 FCCSCC1CC1 62a_100000756562_100011217306 [0,0,0,1,0,0|2,0,0]=3 2748 B8R1.36 FCCSCC1CC1 62a_100011217306_100000742324 [0,0,0,1,0,0|2,0,0]=3 2749 B8R1.36 FCCSCC1CO1 62a_100011217306_102125554688 [0,0,0,1,0,0|3,0,0]=4 2750 B8R1.36 FCCSCC1CO1 62a_102125554688_100011217306 [0,0,0,1,0,0|3,0,0]=4 2751 B8R1.36 FCCSCC1CS1 62a_100000031435_100011217306 [0,0,0,1,0,0|3,0,0]=4 2752 B8R1.36 FCCSCC1CS1 62a_100011217306_100000031435 [0,0,0,1,0,0|3,0,0]=4 2753 B8R1.36 FCCSC[C@@H]1CO1 62a_100000745022_100011217306 [0,0,0,1,0,0|3,0,0]=4 2754 B8R1.36 FCCSC[C@@H]1CO1 62a_100011217306_100000745022 [0,0,0,1,0,0|3,0,0]=4 2755 B8R1.36 N#CCCSC1CC1 62a_100011215226_100000211595 [0,0,0,1,0,0|2,0,1]=4 2756 B8R1.36 N#CCSCC1CC1 62a_100000756562_100011215382 [0,0,0,1,0,0|2,0,1]=4 2757 B8R1.36 N#CCSCC1CC1 62a_100011215382_100000742324 [0,0,0,1,0,0|2,0,1]=4 2758 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [0,0,0,1,0,0|2,1,0]=4 2759 B8R1.36 NCCOCC1CC1 34a_100000210304_100000742324 [0,0,0,1,0,0|2,1,0]=4 2760 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,0,0,1,0,0|2,0,1]=4 2761 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,0,0,1,0,0|2,0,1]=4 2762 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [0,0,0,1,0,0|3,0,0]=4 2763 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [0,0,0,1,0,0|2,0,0]=3 2764 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [0,0,0,1,0,0|3,0,0]=4 2765 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [0,0,0,1,0,0|3,0,0]=4 2766 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [0,0,0,1,0,0|3,0,0]=4 2767 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [0,0,0,1,0,0|3,0,0]=4 2768 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [0,0,0,1,0,0|3,0,0]=4 2769 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [0,0,0,1,0,0|2,1,0]=4 2770 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [0,0,0,1,0,0|2,0,0]=3 2771 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [0,0,0,1,0,0|2,0,0]=3 2772 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [0,0,0,1,0,0|3,0,0]=4 2773 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [0,0,0,1,0,0|3,0,0]=4 2774 B8R1.36 OCCSCC1CS1 62a_100000031435_100000211926 [0,0,0,1,0,0|3,0,0]=4 2775 B8R1.36 OCCSCC1CS1 62a_100000211926_100000031435 [0,0,0,1,0,0|3,0,0]=4 2776 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [0,0,0,1,0,0|3,0,0]=4 2777 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [0,0,0,1,0,0|3,0,0]=4 2778 B8R1.36 [13CH3]OCC#CC1CC1 34a_100000083941_200025704644 [0,0,0,1,0,0|3,0,0]=4 2779 B8R1.36 [13CH3]OCC#CC1CC1 7a_100000083941_200025704644 [0,0,0,1,0,0|3,0,0]=4 2780 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [0,0,0,1,0,0|3,0,0]=4 2781 B8R1.36 [13CH3]SCC#CC1CC1 62a_100009895102_200025704644 [0,0,0,1,0,0|3,0,0]=4 2782 B8R1.36 [13CH3]SCC#CC1CC1 62a_200025704644_100009895102 [0,0,0,1,0,0|3,0,0]=4 2783 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [2,0,0,0,0,0|0,0,2]=4 2784 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|0,0,2]=4 2785 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|0,0,2]=4 2786 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,0]=3 2787 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,0]=3 2788 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,0]=3 2789 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,0]=3 2790 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,0]=3 2791 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,0]=3 2792 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,0]=3 2793 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 2794 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,0]=3 2795 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 2796 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 2797 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 2798 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,0,0]=3 2799 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,0,0]=3 2800 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,0,0]=3 2801 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,0,0]=3 2802 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,0]=3 2803 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|0,1,0]=3 2804 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|0,1,0]=3 2805 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|1,1,0]=4 2806 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|0,0,0]=2 2807 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|0,0,0]=2 2808 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|1,0,0]=3 2809 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|1,0,0]=3 2810 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 2811 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 2812 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|2,0,0]=4 2813 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|2,0,0]=4 2814 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|2,0,0]=4 2815 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|2,0,0]=4 2816 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|2,0,0]=4 2817 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|1,1,0]=4 2818 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|1,1,0]=4 2819 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|1,1,0]=4 2820 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,1,0]=4 2821 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,1,0]=4 2822 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,1,0]=4 2823 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,1,0]=4 2824 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,1,0]=4 2825 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,1,0]=4 2826 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [2,0,0,0,0,0|1,0,1]=4 2827 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [2,0,0,0,0,0|1,0,1]=4 2828 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,1]=4 2829 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,1]=4 2830 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|1,0,0]=3 2831 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|1,0,0]=3 2832 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,0]=3 2833 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,0]=3 2834 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|1,0,0]=3 2835 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|1,0,0]=3 2836 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|1,0,0]=3 2837 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|1,0,0]=3 2838 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 2839 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 2840 B5R0.2 CNCCCF 34a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 2841 B5R0.2 CNCCCF 34a_100102657272_100011934791 [2,0,0,0,0,0|2,0,0]=4 2842 B5R0.2 CNCCCF 7a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 2843 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|2,0,0]=4 2844 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|2,0,0]=4 2845 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|2,0,0]=4 2846 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|2,0,0]=4 2847 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|2,0,0]=4 2848 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|2,0,0]=4 2849 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|2,0,0]=4 2850 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [2,0,0,0,0,0|2,0,0]=4 2851 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [2,0,0,0,0,0|2,0,0]=4 2852 B5R0.2 CNCCSC 34a_100102657272_100000212216 [2,0,0,0,0,0|2,0,0]=4 2853 B5R0.2 CNCCSC 7a_106832991635_100000212216 [2,0,0,0,0,0|2,0,0]=4 2854 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|2,0,0]=4 2855 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|2,0,0]=4 2856 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|2,0,0]=4 2857 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|2,0,0]=4 2858 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|2,0,0]=4 2859 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|2,0,0]=4 2860 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|2,0,0]=4 2861 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|2,0,0]=4 2862 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|2,0,0]=4 2863 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|2,0,0]=4 2864 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 2865 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|2,0,0]=4 2866 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|2,0,0]=4 2867 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|2,0,0]=4 2868 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 2869 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|2,0,0]=4 2870 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|2,0,0]=4 2871 B5R0.2 COCSCF 62a_100000766300_100015361967 [2,0,0,0,0,0|2,0,0]=4 2872 B5R0.2 COCSCF 62a_100015361967_100000766300 [2,0,0,0,0,0|2,0,0]=4 2873 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|2,0,0]=4 2874 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|2,0,0]=4 2875 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|2,0,0]=4 2876 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|2,0,0]=4 2877 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [2,0,0,0,0,0|2,0,0]=4 2878 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 2879 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 2880 B5R0.2 CSCCSC 62a_100000212216_200000210301 [2,0,0,0,0,0|2,0,0]=4 2881 B5R0.2 CSCCSC 62a_200000210301_100000751147 [2,0,0,0,0,0|2,0,0]=4 2882 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [2,0,0,0,0,0|2,0,0]=4 2883 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [2,0,0,0,0,0|2,0,0]=4 2884 B5R0.2 CSCSCF 62a_100011218213_100015361967 [2,0,0,0,0,0|2,0,0]=4 2885 B5R0.2 CSCSCF 62a_100015361967_100011218213 [2,0,0,0,0,0|2,0,0]=4 2886 B5R0.2 FCCSCF 62a_100011217306_100015361967 [2,0,0,0,0,0|2,0,0]=4 2887 B5R0.2 FCCSCF 62a_100015361967_100011217306 [2,0,0,0,0,0|2,0,0]=4 2888 B5R0.2 OCCSCF 62a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 2889 B5R0.2 OCCSCF 62a_100015361967_100000211926 [2,0,0,0,0,0|2,0,0]=4 2890 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 2891 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 2892 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|2,0,0]=4 2893 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|2,0,0]=4 2894 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|2,0,0]=4 2895 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|2,0,0]=4 2896 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|2,0,0]=4 2897 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|2,0,0]=4 2898 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|2,0,0]=4 2899 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|2,0,0]=4 2900 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [1,1,0,0,0,0|0,0,2]=4 2901 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [1,1,0,0,0,0|0,0,2]=4 2902 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,1,0,0,0,0|0,0,2]=4 2903 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,1,0,0,0,0|0,0,2]=4 2904 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,1,0,0,0,0|0,0,2]=4 2905 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [1,1,0,0,0,0|2,0,0]=4 2906 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,1,0,0,0,0|2,0,0]=4 2907 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|2,0,0]=4 2908 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|2,0,0]=4 2909 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|2,0,0]=4 2910 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|2,0,0]=4 2911 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,1,0,0,0,0|2,0,0]=4 2912 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,1,0,0,0,0|2,0,0]=4 2913 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [1,1,0,0,0,0|2,0,0]=4 2914 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [1,1,0,0,0,0|2,0,0]=4 2915 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,1,0,0,0,0|2,0,0]=4 2916 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,1,0,0,0,0|2,0,0]=4 2917 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,1,0,0,0,0|2,0,0]=4 2918 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [1,1,0,0,0,0|2,0,0]=4 2919 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [1,1,0,0,0,0|2,0,0]=4 2920 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,1,0,0,0,0|1,1,0]=4 2921 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,1,0,0,0,0|1,1,0]=4 2922 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,1,0,0,0,0|1,1,0]=4 2923 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,1,0]=4 2924 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [1,1,0,0,0,0|1,0,1]=4 2925 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [1,1,0,0,0,0|1,0,1]=4 2926 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|1,0,1]=4 2927 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|1,0,1]=4 2928 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,1,0,0,0,0|1,0,0]=3 2929 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,1,0,0,0,0|1,0,0]=3 2930 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|1,0,0]=3 2931 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|1,0,0]=3 2932 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,1,0,0,0,0|1,0,0]=3 2933 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,1,0,0,0,0|1,0,0]=3 2934 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,1,0,0,0,0|1,0,0]=3 2935 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,1,0,0,0,0|1,0,0]=3 2936 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [1,1,0,0,0,0|2,0,0]=4 2937 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [1,1,0,0,0,0|2,0,0]=4 2938 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|1,0,1]=4 2939 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|1,0,1]=4 2940 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|2,0,0]=4 2941 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 2942 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|2,0,0]=4 2943 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|2,0,0]=4 2944 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 2945 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|2,0,0]=4 2946 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|2,0,0]=4 2947 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|2,0,0]=4 2948 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|2,0,0]=4 2949 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|2,0,0]=4 2950 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|2,0,0]=4 2951 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|2,0,0]=4 2952 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|2,0,0]=4 2953 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|2,0,0]=4 2954 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|2,0,0]=4 2955 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,1,0,0,0,0|2,0,0]=4 2956 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,1,0,0,0,0|2,0,0]=4 2957 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,1,0,0,0,0|2,0,0]=4 2958 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,1,0,0,0,0|2,0,0]=4 2959 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,1,0,0,0,0|2,0,0]=4 2960 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,1,0,0,0,0|2,0,0]=4 2961 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,1,0,0,0,0|2,0,0]=4 2962 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,1,0,0,0,0|2,0,0]=4 2963 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|1,0,1]=4 2964 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|1,0,1]=4 2965 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|1,0,1]=4 2966 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|1,0,1]=4 2967 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,1,0,0,0,0|1,0,0]=3 2968 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,1,0,0,0,0|2,0,0]=4 2969 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|0,1,0]=3 2970 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|0,1,0]=3 2971 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,1,0,0,0,0|1,1,0]=4 2972 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,1,0,0,0,0|1,1,0]=4 2973 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,1,0,0,0,0|1,1,0]=4 2974 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,1,0,0,0,0|1,1,0]=4 2975 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [1,1,0,0,0,0|1,0,1]=4 2976 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [1,1,0,0,0,0|1,0,1]=4 2977 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|0,0,0]=2 2978 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|0,0,0]=2 2979 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,1,0,0,0,0|1,0,0]=3 2980 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,1,0,0,0,0|1,0,0]=3 2981 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,1,0,0,0,0|1,0,0]=3 2982 B7R0.3 CCCSC(F)C#N 62a_100000210303_200000117898 [1,1,0,0,0,0|1,0,1]=4 2983 B7R0.3 CCCSC(F)C#N 62a_200000117898_100000210303 [1,1,0,0,0,0|1,0,1]=4 2984 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,1,0,0,0,0|1,0,0]=3 2985 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,1,0,0,0,0|1,0,0]=3 2986 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,1,0,0,0,0|2,0,0]=4 2987 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,1,0,0,0,0|2,0,0]=4 2988 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,1,0,0,0,0|2,0,0]=4 2989 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,1,0,0,0,0|2,0,0]=4 2990 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,1,0,0,0,0|2,0,0]=4 2991 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,1,0,0,0,0|2,0,0]=4 2992 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,1,0]=4 2993 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|1,1,0]=4 2994 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,1,0]=4 2995 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,1,0]=4 2996 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|1,0,1]=4 2997 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|1,0,1]=4 2998 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|1,0,1]=4 2999 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|1,0,0]=3 3000 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|1,0,0]=3 3001 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,1,0,0,0,0|2,0,0]=4 3002 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,1,0,0,0,0|1,0,0]=3 3003 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,1,0,0,0,0|1,0,0]=3 3004 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,1,0,0,0,0|2,0,0]=4 3005 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,1,0,0,0,0|2,0,0]=4 3006 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|1,0,0]=3 3007 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|1,0,0]=3 3008 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,1,0,0,0,0|2,0,0]=4 3009 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,1,0,0,0,0|2,0,0]=4 3010 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,1,0,0,0,0|2,0,0]=4 3011 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,1,0,0,0,0|2,0,0]=4 3012 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,1,0,0,0,0|2,0,0]=4 3013 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,1,0,0,0,0|2,0,0]=4 3014 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,1,0,0,0,0|2,0,0]=4 3015 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,1,0,0,0,0|2,0,0]=4 3016 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [1,1,0,0,0,0|2,0,0]=4 3017 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [1,1,0,0,0,0|2,0,0]=4 3018 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,1,0,0,0,0|2,0,0]=4 3019 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,1,0,0,0,0|2,0,0]=4 3020 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [1,1,0,0,0,0|2,0,0]=4 3021 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [1,1,0,0,0,0|2,0,0]=4 3022 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [1,1,0,0,0,0|2,0,0]=4 3023 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [1,1,0,0,0,0|2,0,0]=4 3024 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [1,1,0,0,0,0|2,0,0]=4 3025 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [1,1,0,0,0,0|2,0,0]=4 3026 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [1,1,0,0,0,0|2,0,0]=4 3027 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [1,1,0,0,0,0|2,0,0]=4 3028 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [1,1,0,0,0,0|2,0,0]=4 3029 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [1,1,0,0,0,0|2,0,0]=4 3030 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [1,1,0,0,0,0|2,0,0]=4 3031 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [1,1,0,0,0,0|2,0,0]=4 3032 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,1,0,0,0,0|2,0,0]=4 3033 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,1,0,0,0,0|2,0,0]=4 3034 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [1,1,0,0,0,0|0,0,2]=4 3035 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [1,1,0,0,0,0|0,0,2]=4 3036 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [1,1,0,0,0,0|0,0,2]=4 3037 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|1,0,1]=4 3038 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|1,0,1]=4 3039 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|0,1,1]=4 3040 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|0,1,1]=4 3041 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|0,0,1]=3 3042 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|0,0,1]=3 3043 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [1,1,0,0,0,0|1,0,1]=4 3044 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [1,1,0,0,0,0|1,0,1]=4 3045 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,1,0,0,0,0|1,0,1]=4 3046 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,1,0,0,0,0|1,0,1]=4 3047 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,1,0,0,0,0|1,0,1]=4 3048 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,1,0,0,0,0|1,0,1]=4 3049 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,1,0,0,0,0|1,0,1]=4 3050 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,1,0,0,0,0|1,0,1]=4 3051 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,1,0,0,0,0|0,0,2]=4 3052 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,1,0,0,0,0|0,0,2]=4 3053 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [1,1,0,0,0,0|0,0,2]=4 3054 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [1,1,0,0,0,0|0,0,2]=4 3055 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,1,0,0,0,0|0,0,2]=4 3056 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,1,0,0,0,0|0,0,2]=4 3057 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,1,0,0,0,0|0,0,2]=4 3058 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,1,0,0,0,0|0,0,2]=4 3059 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [1,1,0,0,0,0|1,1,0]=4 3060 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,1,0,0,0,0|1,1,0]=4 3061 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,1,0,0,0,0|2,0,0]=4 3062 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,1,0,0,0,0|2,0,0]=4 3063 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,1,0,0,0,0|2,0,0]=4 3064 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,1,0,0,0,0|2,0,0]=4 3065 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|2,0,0]=4 3066 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|2,0,0]=4 3067 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,1,0,0,0,0|2,0,0]=4 3068 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,1,0,0,0,0|2,0,0]=4 3069 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,1,0,0,0,0|2,0,0]=4 3070 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,1,0,0,0,0|2,0,0]=4 3071 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,1,0,0,0,0|2,0,0]=4 3072 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,1,0,0,0,0|2,0,0]=4 3073 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,1,0,0,0,0|2,0,0]=4 3074 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,1,0,0,0,0|2,0,0]=4 3075 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,1,0,0,0,0|2,0,0]=4 3076 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,1,0,0,0,0|2,0,0]=4 3077 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,1,0,0,0,0|1,1,0]=4 3078 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,1,0,0,0,0|1,1,0]=4 3079 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,1,0,0,0,0|1,1,0]=4 3080 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,1,0,0,0,0|1,1,0]=4 3081 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [1,1,0,0,0,0|1,0,1]=4 3082 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [1,1,0,0,0,0|1,0,1]=4 3083 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [1,1,0,0,0,0|1,0,1]=4 3084 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [1,1,0,0,0,0|1,0,1]=4 3085 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,1,0,0,0,0|1,0,0]=3 3086 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,1,0,0,0,0|1,0,0]=3 3087 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,1,0,0,0,0|1,0,0]=3 3088 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,1,0,0,0,0|1,0,0]=3 3089 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,1,0,0,0,0|2,0,0]=4 3090 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,1,0,0,0,0|2,0,0]=4 3091 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,1,0,0,0,0|2,0,0]=4 3092 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,1,0,0,0,0|2,0,0]=4 3093 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,1,0,0,0,0|2,0,0]=4 3094 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,1,0,0,0,0|2,0,0]=4 3095 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,1,0,0,0,0|2,0,0]=4 3096 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,1,0,0,0,0|2,0,0]=4 3097 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,1,0,0,0,0|2,0,0]=4 3098 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,1,0,0,0,0|2,0,0]=4 3099 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [1,1,0,0,0,0|1,1,0]=4 3100 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,1,0,0,0,0|1,1,0]=4 3101 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3102 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|2,0,0]=4 3103 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,1,0,0,0,0|2,0,0]=4 3104 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,1,0,0,0,0|2,0,0]=4 3105 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,1,0,0,0,0|2,0,0]=4 3106 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,1,0,0,0,0|2,0,0]=4 3107 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,1,0,0,0,0|2,0,0]=4 3108 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,1,0,0,0,0|2,0,0]=4 3109 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,1,0,0,0,0|2,0,0]=4 3110 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|2,0,0]=4 3111 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,1,0,0,0,0|2,0,0]=4 3112 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,1,0,0,0,0|1,1,0]=4 3113 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,1,0,0,0,0|1,1,0]=4 3114 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [1,1,0,0,0,0|1,0,1]=4 3115 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [1,1,0,0,0,0|1,0,1]=4 3116 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,1,0,0,0,0|1,0,1]=4 3117 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,1,0,0,0,0|1,0,1]=4 3118 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,1,0,0,0,0|1,0,0]=3 3119 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,1,0,0,0,0|1,0,0]=3 3120 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,1,0,0,0,0|1,0,0]=3 3121 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,1,0,0,0,0|1,0,0]=3 3122 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,1]=4 3123 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,1]=4 3124 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,1]=4 3125 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,1,0,0,0,0|2,0,0]=4 3126 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,1,0,0,0,0|2,0,0]=4 3127 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,1,0,0,0,0|2,0,0]=4 3128 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,1,0,0,0,0|2,0,0]=4 3129 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,1,0,0,0,0|2,0,0]=4 3130 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,1,0,0,0,0|2,0,0]=4 3131 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,1,0,0,0,0|2,0,0]=4 3132 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,1,0,0,0,0|2,0,0]=4 3133 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,1,0,0,0,0|2,0,0]=4 3134 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,1,0,0,0,0|2,0,0]=4 3135 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,1,0]=4 3136 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,1,0]=4 3137 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,1,0]=4 3138 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|1,0,0]=3 3139 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|1,0,0]=3 3140 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,1,0,0,0,0|1,0,0]=3 3141 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,1,0,0,0,0|1,0,0]=3 3142 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,1,0,0,0,0|1,0,0]=3 3143 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|1,0,0]=3 3144 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|1,0,0]=3 3145 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [1,1,0,0,0,0|2,0,0]=4 3146 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|0,1,1]=4 3147 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|0,1,1]=4 3148 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|0,1,1]=4 3149 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,1,0,0,0,0|0,1,0]=3 3150 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,1,0,0,0,0|0,1,0]=3 3151 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,1,0,0,0,0|0,1,0]=3 3152 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,1,0,0,0,0|0,1,0]=3 3153 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|0,1,0]=3 3154 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [1,1,0,0,0,0|1,1,0]=4 3155 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [1,1,0,0,0,0|1,1,0]=4 3156 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,1,0,0,0,0|0,1,0]=3 3157 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,1,0,0,0,0|0,1,0]=3 3158 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|0,1,0]=3 3159 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|0,0,1]=3 3160 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,0,1]=4 3161 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,0,1]=4 3162 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|0,0,1]=3 3163 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|1,0,1]=4 3164 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|1,0,1]=4 3165 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|0,0,0]=2 3166 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|0,0,0]=2 3167 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|0,0,0]=2 3168 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|0,0,0]=2 3169 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [1,1,0,0,0,0|1,0,0]=3 3170 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [1,1,0,0,0,0|1,0,0]=3 3171 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|0,0,0]=2 3172 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|0,0,0]=2 3173 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,1,0,0,0,0|2,0,0]=4 3174 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,1,0,0,0,0|2,0,0]=4 3175 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,1,0,0,0,0|2,0,0]=4 3176 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|2,0,0]=4 3177 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|2,0,0]=4 3178 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|1,1,0]=4 3179 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,1,0]=4 3180 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,1,0]=4 3181 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,1,0]=4 3182 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|1,1,0]=4 3183 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|1,1,0]=4 3184 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,1,0,0,0,0|2,0,0]=4 3185 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,1,0,0,0,0|2,0,0]=4 3186 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|1,0,1]=4 3187 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|1,0,1]=4 3188 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|1,0,1]=4 3189 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|1,0,1]=4 3190 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|1,0,1]=4 3191 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|1,0,0]=3 3192 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|1,0,0]=3 3193 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|1,0,0]=3 3194 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|1,0,0]=3 3195 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 3196 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 3197 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,1,0,0,0,0|2,0,0]=4 3198 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,1,0,0,0,0|2,0,0]=4 3199 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,1,0,0,0,0|2,0,0]=4 3200 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,1,0,0,0,0|2,0,0]=4 3201 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,1,0,0,0,0|2,0,0]=4 3202 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,1,0,0,0,0|2,0,0]=4 3203 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,1,0,0,0,0|2,0,0]=4 3204 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,1,0,0,0,0|2,0,0]=4 3205 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,1,0,0,0,0|2,0,0]=4 3206 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,1,0,0,0,0|2,0,0]=4 3207 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,1,0,0,0,0|2,0,0]=4 3208 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,1,0,0,0,0|2,0,0]=4 3209 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,1,0,0,0,0|2,0,0]=4 3210 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,1,0,0,0,0|2,0,0]=4 3211 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,1,0,0,0,0|2,0,0]=4 3212 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,1,0,0,0,0|2,0,0]=4 3213 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,1,0,0,0,0|2,0,0]=4 3214 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,1,0,0,0,0|2,0,0]=4 3215 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,1,0,0,0,0|2,0,0]=4 3216 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|2,0,0]=4 3217 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,1,0,0,0,0|2,0,0]=4 3218 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,1,0,0,0,0|2,0,0]=4 3219 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,1,0,0,0,0|2,0,0]=4 3220 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,1,0,0,0,0|2,0,0]=4 3221 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,1,0,0,0,0|2,0,0]=4 3222 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,1,0,0,0,0|2,0,0]=4 3223 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [1,1,0,0,0,0|2,0,0]=4 3224 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,1,0,0,0,0|1,0,0]=3 3225 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,1,0,0,0,0|1,0,0]=3 3226 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,1,0,0,0,0|1,0,0]=3 3227 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,1,0,0,0,0|1,0,0]=3 3228 B7R0.4 COCSCC(F)F 62a_100000766300_100011934356 [1,1,0,0,0,0|2,0,0]=4 3229 B7R0.4 COCSCC(F)F 62a_100011934356_100000766300 [1,1,0,0,0,0|2,0,0]=4 3230 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,1,0,0,0,0|1,0,0]=3 3231 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,1,0,0,0,0|1,0,0]=3 3232 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3233 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|2,0,0]=4 3234 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|2,0,0]=4 3235 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3236 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,1,0,0,0,0|2,0,0]=4 3237 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,1,0,0,0,0|2,0,0]=4 3238 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,1,0,0,0,0|2,0,0]=4 3239 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,1,0,0,0,0|2,0,0]=4 3240 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,1,0,0,0,0|2,0,0]=4 3241 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,1,0,0,0,0|2,0,0]=4 3242 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,1,0,0,0,0|2,0,0]=4 3243 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,1,0,0,0,0|2,0,0]=4 3244 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [1,1,0,0,0,0|1,1,0]=4 3245 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,1,0,0,0,0|1,1,0]=4 3246 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [1,1,0,0,0,0|1,1,0]=4 3247 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [1,1,0,0,0,0|1,1,0]=4 3248 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [1,1,0,0,0,0|1,1,0]=4 3249 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,1,0,0,0,0|1,0,0]=3 3250 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,1,0,0,0,0|1,0,0]=3 3251 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,1,0,0,0,0|1,0,0]=3 3252 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,1,0,0,0,0|1,0,0]=3 3253 B7R0.4 CSCSCC(F)F 62a_100011218213_100011934356 [1,1,0,0,0,0|2,0,0]=4 3254 B7R0.4 CSCSCC(F)F 62a_100011934356_100011218213 [1,1,0,0,0,0|2,0,0]=4 3255 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,1,0,0,0,0|1,0,0]=3 3256 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,1,0,0,0,0|1,0,0]=3 3257 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [1,1,0,0,0,0|1,1,0]=4 3258 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,1,0,0,0,0|1,1,0]=4 3259 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [1,1,0,0,0,0|1,1,0]=4 3260 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,1,0,0,0,0|1,1,0]=4 3261 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,1,0,0,0,0|2,0,0]=4 3262 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,1,0,0,0,0|2,0,0]=4 3263 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,1,0,0,0,0|2,0,0]=4 3264 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,1,0,0,0,0|1,1,0]=4 3265 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,1,0,0,0,0|1,1,0]=4 3266 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [1,1,0,0,0,0|1,0,1]=4 3267 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [1,1,0,0,0,0|1,0,1]=4 3268 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,1,0,0,0,0|1,0,1]=4 3269 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,1,0,0,0,0|1,0,1]=4 3270 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,1,0,0,0,0|1,0,0]=3 3271 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,1,0,0,0,0|1,0,0]=3 3272 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,1,0,0,0,0|1,0,0]=3 3273 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,1,0,0,0,0|1,0,0]=3 3274 B7R0.4 FCCSCC(F)F 62a_100011217306_100011934356 [1,1,0,0,0,0|2,0,0]=4 3275 B7R0.4 FCCSCC(F)F 62a_100011934356_100011217306 [1,1,0,0,0,0|2,0,0]=4 3276 B7R0.4 OCCSCC(F)F 62a_100000211926_100011934356 [1,1,0,0,0,0|2,0,0]=4 3277 B7R0.4 OCCSCC(F)F 62a_100011934356_100000211926 [1,1,0,0,0,0|2,0,0]=4 3278 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|1,0,0]=3 3279 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,1,0,0,0,0|2,0,0]=4 3280 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|2,0,0]=4 3281 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|2,0,0]=4 3282 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|2,0,0]=4 3283 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|2,0,0]=4 3284 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|2,0,0]=4 3285 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|2,0,0]=4 3286 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|2,0,0]=4 3287 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|2,0,0]=4 3288 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|2,0,0]=4 3289 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|2,0,0]=4 3290 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|2,0,0]=4 3291 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|2,0,0]=4 3292 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|2,0,0]=4 3293 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,1,0,0,0,0|2,0,0]=4 3294 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,1,0,0,0,0|2,0,0]=4 3295 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,1,0,0,0,0|2,0,0]=4 3296 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,1,0,0,0,0|2,0,0]=4 3297 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3298 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|2,0,0]=4 3299 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3300 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|2,0,0]=4 3301 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|2,0,0]=4 3302 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3303 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|2,0,0]=4 3304 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|2,0,0]=4 3305 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|2,0,0]=4 3306 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,1,0,0,0,0|2,0,0]=4 3307 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,1,0,0,0,0|2,0,0]=4 3308 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,1,0,0,0,0|2,0,0]=4 3309 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,1,0]=4 3310 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,1,0]=4 3311 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,1,0]=4 3312 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|1,0,0]=3 3313 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|1,0,0]=3 3314 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [1,1,0,0,0,0|2,0,0]=4 3315 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [1,1,0,0,0,0|2,0,0]=4 3316 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,1,0,0,0,0|1,0,0]=3 3317 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,1,0,0,0,0|1,0,0]=3 3318 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,1,0,0,0,0|1,0,0]=3 3319 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,1,0,0,0,0|1,0,0]=3 3320 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [1,1,0,0,0,0|2,0,0]=4 3321 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [1,1,0,0,0,0|2,0,0]=4 3322 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,1,0,0,0,0|2,0,0]=4 3323 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,1,0,0,0,0|2,0,0]=4 3324 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,1,0,0,0,0|2,0,0]=4 3325 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,1,0,0,0,0|2,0,0]=4 3326 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,1,0,0,0,0|2,0,0]=4 3327 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,1,0,0,0,0|2,0,0]=4 3328 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 3329 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 3330 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [1,1,0,0,0,0|2,0,0]=4 3331 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [1,1,0,0,0,0|2,0,0]=4 3332 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,1,0,0,0,0|1,0,0]=3 3333 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,1,0,0,0,0|1,0,0]=3 3334 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,1,0,0,0,0|2,0,0]=4 3335 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,1,0,0,0,0|2,0,0]=4 3336 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|2,0,0]=4 3337 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|2,0,0]=4 3338 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,1,0,0,0,0|2,0,0]=4 3339 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,1,0,0,0,0|2,0,0]=4 3340 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [1,1,0,0,0,0|2,0,0]=4 3341 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [1,1,0,0,0,0|2,0,0]=4 3342 B9R0.4 CC(C)CC(C)SCCF 62a_100000731052_100011217306 [0,2,0,0,0,0|2,0,0]=4 3343 B9R0.4 CC(C)CC(C)SCCF 62a_100011217306_100000731052 [0,2,0,0,0,0|2,0,0]=4 3344 B9R0.4 CC(C)CC(C)SCCO 62a_100000211926_100000731052 [0,2,0,0,0,0|2,0,0]=4 3345 B9R0.4 CC(C)CC(C)SCCO 62a_100000731052_100000211926 [0,2,0,0,0,0|2,0,0]=4 3346 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,2,0,0,0,0|2,0,0]=4 3347 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,2,0,0,0,0|2,0,0]=4 3348 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,2,0,0,0,0|2,0,0]=4 3349 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,2,0,0,0,0|2,0,0]=4 3350 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [0,2,0,0,0,0|2,0,0]=4 3351 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [0,2,0,0,0,0|2,0,0]=4 3352 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [0,2,0,0,0,0|2,0,0]=4 3353 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [0,2,0,0,0,0|2,0,0]=4 3354 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [0,2,0,0,0,0|2,0,0]=4 3355 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,2,0,0,0,0|2,0,0]=4 3356 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,2,0,0,0,0|2,0,0]=4 3357 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,2,0,0,0,0|2,0,0]=4 3358 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,2,0,0,0,0|2,0,0]=4 3359 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,2,0,0,0,0|2,0,0]=4 3360 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,2,0,0,0,0|2,0,0]=4 3361 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 3362 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 3363 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 3364 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 3365 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,2,0,0,0,0|2,0,0]=4 3366 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [0,2,0,0,0,0|2,0,0]=4 3367 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,2,0,0,0,0|1,1,0]=4 3368 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,2,0,0,0,0|1,1,0]=4 3369 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,2,0,0,0,0|1,1,0]=4 3370 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [0,2,0,0,0,0|1,0,0]=3 3371 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [0,2,0,0,0,0|1,0,0]=3 3372 B9R0.4 CCCSC(C)CN(C)C 62a_100000210303_100020606517 [0,2,0,0,0,0|2,0,0]=4 3373 B9R0.4 CCCSC(C)CN(C)C 62a_100020606517_100000210303 [0,2,0,0,0,0|2,0,0]=4 3374 B9R0.4 COCSC(C)CC(C)C 62a_100000731052_100000766300 [0,2,0,0,0,0|2,0,0]=4 3375 B9R0.4 COCSC(C)CC(C)C 62a_100000766300_100000731052 [0,2,0,0,0,0|2,0,0]=4 3376 B9R0.4 CSCSC(C)CC(C)C 62a_100000731052_100011218213 [0,2,0,0,0,0|2,0,0]=4 3377 B9R0.4 CSCSC(C)CC(C)C 62a_100011218213_100000731052 [0,2,0,0,0,0|2,0,0]=4 3378 B9R0.5 C#CCCSC(C)CCC 62a_100000688953_100000766640 [0,2,0,0,0,0|1,0,1]=4 3379 B9R0.5 C#CCCSC(C)CCC 62a_100000766640_100000688953 [0,2,0,0,0,0|1,0,1]=4 3380 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [0,2,0,0,0,0|1,0,1]=4 3381 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [0,2,0,0,0,0|1,0,1]=4 3382 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,2,0,0,0,0|1,0,1]=4 3383 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,2,0,0,0,0|1,0,1]=4 3384 B9R0.5 CC#CCSC(C)CCC 62a_100000748600_100000766640 [0,2,0,0,0,0|1,0,1]=4 3385 B9R0.5 CC#CCSC(C)CCC 62a_100000766640_100000748600 [0,2,0,0,0,0|1,0,1]=4 3386 B9R0.5 CC(CCO)SCCCF 62a_100009893172_100011934791 [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.5 CC(CCO)SCCCF 62a_100011934791_100009893172 [0,2,0,0,0,0|2,0,0]=4 3388 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [0,2,0,0,0,0|2,0,0]=4 3390 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [0,2,0,0,0,0|1,0,1]=4 3391 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [0,2,0,0,0,0|1,0,1]=4 3392 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,2,0,0,0,0|2,0,0]=4 3393 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,2,0,0,0,0|2,0,0]=4 3394 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|2,0,0]=4 3395 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|2,0,0]=4 3396 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,2,0,0,0,0|2,0,0]=4 3397 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,2,0,0,0,0|2,0,0]=4 3398 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,2,0,0,0,0|2,0,0]=4 3399 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|2,0,0]=4 3400 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|2,0,0]=4 3401 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,2,0,0,0,0|2,0,0]=4 3402 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,2,0,0,0,0|2,0,0]=4 3403 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,2,0,0,0,0|2,0,0]=4 3404 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,2,0,0,0,0|2,0,0]=4 3405 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|2,0,0]=4 3406 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|2,0,0]=4 3407 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,2,0,0,0,0|2,0,0]=4 3408 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,2,0,0,0,0|2,0,0]=4 3409 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,2,0,0,0,0|2,0,0]=4 3410 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,2,0,0,0,0|2,0,0]=4 3411 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 3414 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 3415 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 3416 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 3417 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 3418 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 3419 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,2,0,0,0,0|1,1,0]=4 3425 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,2,0,0,0,0|1,1,0]=4 3426 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|1,1,0]=4 3427 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 3428 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,2,0,0,0,0|2,0,0]=4 3432 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,2,0,0,0,0|2,0,0]=4 3433 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [0,2,0,0,0,0|2,0,0]=4 3434 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [0,2,0,0,0,0|2,0,0]=4 3435 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [0,2,0,0,0,0|2,0,0]=4 3436 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [0,2,0,0,0,0|2,0,0]=4 3437 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [0,2,0,0,0,0|2,0,0]=4 3438 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [0,2,0,0,0,0|2,0,0]=4 3439 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [0,2,0,0,0,0|2,0,0]=4 3440 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [0,2,0,0,0,0|2,0,0]=4 3441 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [0,2,0,0,0,0|2,0,0]=4 3442 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [0,2,0,0,0,0|2,0,0]=4 3443 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [0,2,0,0,0,0|2,0,0]=4 3444 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [0,2,0,0,0,0|2,0,0]=4 3445 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [0,2,0,0,0,0|2,0,0]=4 3446 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [0,2,0,0,0,0|2,0,0]=4 3447 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [0,2,0,0,0,0|2,0,0]=4 3448 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [0,2,0,0,0,0|2,0,0]=4 3449 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [0,2,0,0,0,0|2,0,0]=4 3450 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [0,2,0,0,0,0|2,0,0]=4 3451 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [0,2,0,0,0,0|2,0,0]=4 3452 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [0,2,0,0,0,0|2,0,0]=4 3453 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [0,2,0,0,0,0|1,1,0]=4 3454 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [0,2,0,0,0,0|1,1,0]=4 3455 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [0,2,0,0,0,0|1,1,0]=4 3456 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [0,2,0,0,0,0|1,1,0]=4 3457 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [0,2,0,0,0,0|1,1,0]=4 3458 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [0,2,0,0,0,0|1,1,0]=4 3459 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,2,0,0,0,0|1,1,0]=4 3460 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,2,0,0,0,0|1,1,0]=4 3461 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [0,2,0,0,0,0|1,1,0]=4 3462 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [0,2,0,0,0,0|1,1,0]=4 3463 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [0,2,0,0,0,0|1,1,0]=4 3464 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,2,0,0,0,0|1,1,0]=4 3465 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,2,0,0,0,0|1,1,0]=4 3466 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,2,0,0,0,0|1,1,0]=4 3467 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,2,0,0,0,0|1,1,0]=4 3468 B9R0.5 CCCC(C)SCCC#N 62a_100000766640_100011215226 [0,2,0,0,0,0|1,0,1]=4 3469 B9R0.5 CCCC(C)SCCC#N 62a_100011215226_100000766640 [0,2,0,0,0,0|1,0,1]=4 3470 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [0,2,0,0,0,0|1,0,0]=3 3471 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [0,2,0,0,0,0|1,0,0]=3 3472 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [0,2,0,0,0,0|1,0,0]=3 3473 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [0,2,0,0,0,0|1,0,0]=3 3474 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [0,2,0,0,0,0|1,0,0]=3 3475 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [0,2,0,0,0,0|1,0,0]=3 3476 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [0,2,0,0,0,0|1,0,0]=3 3477 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [0,2,0,0,0,0|1,0,0]=3 3478 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [0,2,0,0,0,0|1,0,0]=3 3479 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [0,2,0,0,0,0|1,0,0]=3 3480 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|2,0,0]=4 3481 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,2,0,0,0,0|2,0,0]=4 3482 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,2,0,0,0,0|2,0,0]=4 3484 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,2,0,0,0,0|2,0,0]=4 3485 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,2,0,0,0,0|2,0,0]=4 3486 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,2,0,0,0,0|2,0,0]=4 3487 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,2,0,0,0,0|2,0,0]=4 3488 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,2,0,0,0,0|2,0,0]=4 3489 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,2,0,0,0,0|2,0,0]=4 3490 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,2,0,0,0,0|2,0,0]=4 3491 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,2,0,0,0,0|2,0,0]=4 3492 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,2,0,0,0,0|2,0,0]=4 3493 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,2,0,0,0,0|2,0,0]=4 3494 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,2,0,0,0,0|2,0,0]=4 3495 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,2,0,0,0,0|2,0,0]=4 3496 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,2,0,0,0,0|2,0,0]=4 3497 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,2,0,0,0,0|2,0,0]=4 3498 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,2,0,0,0,0|2,0,0]=4 3499 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 3500 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 3501 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 3502 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 3503 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,2,0,0,0,0|2,0,0]=4 3504 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,2,0,0,0,0|2,0,0]=4 3505 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [0,2,0,0,0,0|2,0,0]=4 3508 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [0,2,0,0,0,0|2,0,0]=4 3509 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,2,0,0,0,0|2,0,0]=4 3510 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,2,0,0,0,0|2,0,0]=4 3511 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,2,0,0,0,0|2,0,0]=4 3512 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [0,2,0,0,0,0|2,0,0]=4 3513 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [0,2,0,0,0,0|2,0,0]=4 3514 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [0,2,0,0,0,0|2,0,0]=4 3515 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,2,0,0,0,0|2,0,0]=4 3516 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,2,0,0,0,0|1,1,0]=4 3517 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,2,0,0,0,0|1,1,0]=4 3518 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,2,0,0,0,0|1,1,0]=4 3519 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,2,0,0,0,0|1,1,0]=4 3520 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,2,0,0,0,0|1,1,0]=4 3521 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,2,0,0,0,0|1,1,0]=4 3522 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,2,0,0,0,0|1,1,0]=4 3523 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,2,0,0,0,0|1,1,0]=4 3524 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,2,0,0,0,0|1,1,0]=4 3525 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,2,0,0,0,0|1,1,0]=4 3526 B9R0.5 CCCCSC(C)CC#N 62a_100000210211_100009813641 [0,2,0,0,0,0|1,0,1]=4 3527 B9R0.5 CCCCSC(C)CC#N 62a_100009813641_100000210210 [0,2,0,0,0,0|1,0,1]=4 3528 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,2,0,0,0,0|1,0,0]=3 3529 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,2,0,0,0,0|1,0,0]=3 3530 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,2,0,0,0,0|1,0,0]=3 3531 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,2,0,0,0,0|1,0,0]=3 3532 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,2,0,0,0,0|1,0,0]=3 3533 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,2,0,0,0,0|1,0,0]=3 3534 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [0,2,0,0,0,0|2,0,0]=4 3535 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [0,2,0,0,0,0|2,0,0]=4 3536 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,2,0,0,0,0|2,0,0]=4 3537 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,2,0,0,0,0|2,0,0]=4 3538 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,2,0,0,0,0|2,0,0]=4 3539 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,2,0,0,0,0|2,0,0]=4 3540 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,2,0,0,0,0|2,0,0]=4 3541 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,2,0,0,0,0|2,0,0]=4 3542 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,2,0,0,0,0|2,0,0]=4 3543 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,2,0,0,0,0|2,0,0]=4 3544 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,2,0,0,0,0|2,0,0]=4 3545 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,2,0,0,0,0|2,0,0]=4 3546 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [0,2,0,0,0,0|2,0,0]=4 3547 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [0,2,0,0,0,0|2,0,0]=4 3548 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,2,0,0,0,0|2,0,0]=4 3549 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,2,0,0,0,0|2,0,0]=4 3550 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,2,0,0,0,0|2,0,0]=4 3551 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|1,1,0]=4 3554 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,2,0,0,0,0|1,1,0]=4 3555 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,2,0,0,0,0|1,1,0]=4 3556 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,2,0,0,0,0|1,1,0]=4 3557 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [0,2,0,0,0,0|1,1,0]=4 3558 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,2,0,0,0,0|1,1,0]=4 3559 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,2,0,0,0,0|1,1,0]=4 3560 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,2,0,0,0,0|1,1,0]=4 3561 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,2,0,0,0,0|1,0,0]=3 3562 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,2,0,0,0,0|1,0,0]=3 3563 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,2,0,0,0,0|1,0,0]=3 3564 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,2,0,0,0,0|1,0,1]=4 3565 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|1,0,1]=4 3566 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,2,0,0,0,0|1,0,1]=4 3567 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,2,0,0,0,0|1,0,1]=4 3568 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,2,0,0,0,0|1,0,1]=4 3569 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,2,0,0,0,0|1,0,1]=4 3570 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,2,0,0,0,0|1,0,1]=4 3571 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|1,0,1]=4 3572 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|1,0,1]=4 3573 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,2,0,0,0,0|1,0,0]=3 3574 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,2,0,0,0,0|1,0,0]=3 3575 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [0,2,0,0,0,0|1,0,0]=3 3576 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,2,0,0,0,0|1,0,0]=3 3577 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,2,0,0,0,0|1,0,0]=3 3578 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000001066_100000210303 [0,2,0,0,0,0|1,0,1]=4 3579 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000210303_100000001066 [0,2,0,0,0,0|1,0,1]=4 3580 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,2,0,0,0,0|2,0,0]=4 3581 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [0,2,0,0,0,0|2,0,0]=4 3582 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [0,2,0,0,0,0|2,0,0]=4 3583 B9R0.5 CCOCSC(C)COC 62a_100000739092_100000765312 [0,2,0,0,0,0|2,0,0]=4 3584 B9R0.5 CCOCSC(C)COC 62a_100000765312_100000739092 [0,2,0,0,0,0|2,0,0]=4 3585 B9R0.5 COCC(C)SCCCF 62a_100000765312_100011934791 [0,2,0,0,0,0|2,0,0]=4 3586 B9R0.5 COCC(C)SCCCF 62a_100011934791_100000765312 [0,2,0,0,0,0|2,0,0]=4 3587 B9R0.5 COCC(C)SCCCO 62a_100000765312_100011215043 [0,2,0,0,0,0|2,0,0]=4 3588 B9R0.5 COCC(C)SCCCO 62a_100011215043_100000765312 [0,2,0,0,0,0|2,0,0]=4 3589 B9R0.5 COCC(C)SCCSC 62a_100000212216_100000765312 [0,2,0,0,0,0|2,0,0]=4 3590 B9R0.5 COCC(C)SCCSC 62a_100000765312_100000751147 [0,2,0,0,0,0|2,0,0]=4 3591 B9R0.5 COCC(O)CSCCF 62a_100011215053_100011217306 [0,2,0,0,0,0|2,0,0]=4 3592 B9R0.5 COCC(O)CSCCF 62a_100011217306_100011215053 [0,2,0,0,0,0|2,0,0]=4 3593 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [0,2,0,0,0,0|2,0,0]=4 3594 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [0,2,0,0,0,0|2,0,0]=4 3595 B9R0.5 COCC(O)CSCSC 62a_100011215053_100011218213 [0,2,0,0,0,0|2,0,0]=4 3596 B9R0.5 COCC(O)CSCSC 62a_100011218213_100011215053 [0,2,0,0,0,0|2,0,0]=4 3597 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [0,2,0,0,0,0|2,0,0]=4 3598 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [0,2,0,0,0,0|2,0,0]=4 3599 B9R0.5 COCCSC(C)COC 62a_100000233755_100000765312 [0,2,0,0,0,0|2,0,0]=4 3600 B9R0.5 COCCSC(C)COC 62a_100000765312_100000233755 [0,2,0,0,0,0|2,0,0]=4 3601 B9R0.5 COCSCC(O)COC 62a_100000766300_100011215053 [0,2,0,0,0,0|2,0,0]=4 3602 B9R0.5 COCSCC(O)COC 62a_100011215053_100000766300 [0,2,0,0,0,0|2,0,0]=4 3603 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [0,2,0,0,0,0|2,0,0]=4 3604 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|2,0,0]=4 3608 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207357_200000210301 [0,2,0,0,0,0|2,0,0]=4 3609 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207549_100000758301 [0,2,0,0,0,0|2,0,0]=4 3610 B9R0.8 CCCCN(C)C(C)CC 2230a_100000741768_100000210211 [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207357_200000210301 [0,2,0,0,0,0|2,0,0]=4 3612 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207549_100000758301 [0,2,0,0,0,0|2,0,0]=4 3613 B9R0.8 CCCCN(C)C(C)CC 269982a_100000741768_100000210211 [0,2,0,0,0,0|2,0,0]=4 3614 B9R0.8 CCCCN([13CH3])C(C)CC 2230a_100000207357_200025704644 [0,2,0,0,0,0|2,0,0]=4 3615 B9R0.8 CCCCN([13CH3])C(C)CC 269982a_100000207357_200025704644 [0,2,0,0,0,0|2,0,0]=4 3616 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 3617 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 3618 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 3619 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 3620 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,2,0,0,0,0|2,0,0]=4 3621 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,2,0,0,0,0|2,0,0]=4 3622 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,2,0,0,0,0|2,0,0]=4 3623 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,2,0,0,0,0|1,1,0]=4 3624 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,2,0,0,0,0|1,0,1]=4 3625 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,2,0,0,0,0|1,0,1]=4 3626 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,2,0,0,0,0|2,0,0]=4 3627 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,2,0,0,0,0|2,0,0]=4 3628 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,2,0,0,0,0|2,0,0]=4 3629 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,2,0,0,0,0|2,0,0]=4 3632 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,2,0,0,0,0|2,0,0]=4 3633 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|2,0,0]=4 3634 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,2,0,0,0,0|2,0,0]=4 3635 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 3636 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 3637 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 3638 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 3639 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,2,0,0,0,0|2,0,0]=4 3640 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,2,0,0,0,0|2,0,0]=4 3641 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [0,2,0,0,0,0|2,0,0]=4 3642 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [0,2,0,0,0,0|2,0,0]=4 3643 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,2,0,0,0,0|1,1,0]=4 3644 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,2,0,0,0,0|1,1,0]=4 3645 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,2,0,0,0,0|1,1,0]=4 3646 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [0,2,0,0,0,0|1,0,0]=3 3647 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [0,2,0,0,0,0|1,0,0]=3 3648 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [0,2,0,0,0,0|2,0,0]=4 3649 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [0,2,0,0,0,0|2,0,0]=4 3651 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [0,2,0,0,0,0|2,0,0]=4 3652 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [0,2,0,0,0,0|2,0,0]=4 3653 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [0,2,0,0,0,0|2,0,0]=4 3654 B9R0.18 CCCCC(C)SCSC 62a_100011218213_200011215066 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.18 CCCCC(C)SCSC 62a_200011215066_100011218213 [0,2,0,0,0,0|2,0,0]=4 3656 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [0,2,0,0,0,0|2,0,0]=4 3657 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [0,2,0,0,0,0|2,0,0]=4 3658 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [0,2,0,0,0,0|2,0,0]=4 3659 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [0,2,0,0,0,0|2,0,0]=4 3660 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [0,2,0,0,0,0|2,0,0]=4 3661 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [0,2,0,0,0,0|2,0,0]=4 3662 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [0,2,0,0,0,0|2,0,0]=4 3663 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [0,2,0,0,0,0|2,0,0]=4 3664 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [0,2,0,0,0,0|2,0,0]=4 3665 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [0,2,0,0,0,0|2,0,0]=4 3666 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [0,2,0,0,0,0|2,0,0]=4 3667 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [0,2,0,0,0,0|2,0,0]=4 3668 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [0,2,0,0,0,0|2,0,0]=4 3669 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [0,2,0,0,0,0|2,0,0]=4 3670 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [0,2,0,0,0,0|2,0,0]=4 3671 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [0,2,0,0,0,0|2,0,0]=4 3672 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [0,2,0,0,0,0|2,0,0]=4 3673 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [0,2,0,0,0,0|2,0,0]=4 3674 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [0,2,0,0,0,0|2,0,0]=4 3675 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [0,2,0,0,0,0|2,0,0]=4 3676 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,2,0,0,0,0|2,0,0]=4 3677 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [0,2,0,0,0,0|2,0,0]=4 3678 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [0,2,0,0,0,0|2,0,0]=4 3679 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [0,2,0,0,0,0|2,0,0]=4 3680 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [0,2,0,0,0,0|2,0,0]=4 3681 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,2,0,0,0,0|2,0,0]=4 3682 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,2,0,0,0,0|2,0,0]=4 3683 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,2,0,0,0,0|2,0,0]=4 3684 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,2,0,0,0,0|2,0,0]=4 3685 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,2,0,0,0,0|2,0,0]=4 3686 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,2,0,0,0,0|2,0,0]=4 3687 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,2,0,0,0,0|2,0,0]=4 3688 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,2,0,0,0,0|2,0,0]=4 3689 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,2,0,0,0,0|2,0,0]=4 3690 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [0,2,0,0,0,0|2,0,0]=4 3691 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [0,2,0,0,0,0|2,0,0]=4 3692 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 3693 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 3694 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 3695 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,2,0,0,0,0|2,0,0]=4 3696 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 3697 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [0,2,0,0,0,0|2,0,0]=4 3698 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [0,2,0,0,0,0|2,0,0]=4 3699 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [0,2,0,0,0,0|2,0,0]=4 3700 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [0,2,0,0,0,0|2,0,0]=4 3701 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [0,2,0,0,0,0|2,0,0]=4 3702 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [0,2,0,0,0,0|2,0,0]=4 3703 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 3704 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 3705 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 3706 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [0,2,0,0,0,0|2,0,0]=4 3707 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [0,2,0,0,0,0|2,0,0]=4 3708 B9R0.18 CCCNC(C)CSCC 270004a_100020643023_200011216171 [0,2,0,0,0,0|2,0,0]=4 3709 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,2,0,0,0,0|1,1,0]=4 3710 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|1,1,0]=4 3711 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,2,0,0,0,0|1,1,0]=4 3712 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,2,0,0,0,0|1,1,0]=4 3713 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [0,2,0,0,0,0|1,1,0]=4 3714 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [0,2,0,0,0,0|1,1,0]=4 3715 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [0,2,0,0,0,0|1,1,0]=4 3716 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [0,2,0,0,0,0|1,1,0]=4 3717 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [0,2,0,0,0,0|1,1,0]=4 3718 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [0,2,0,0,0,0|1,1,0]=4 3719 B9R0.34 CCC(C)SC(C)CCO 62a_100000758301_100009893172 [0,2,0,0,0,0|2,0,0]=4 3720 B9R0.34 CCC(C)SC(C)CCO 62a_100009893172_100000758301 [0,2,0,0,0,0|2,0,0]=4 3721 B9R0.34 CCC(C)SC(C)COC 62a_100000758301_100000765312 [0,2,0,0,0,0|2,0,0]=4 3722 B9R0.34 CCC(C)SC(C)COC 62a_100000765312_100000758301 [0,2,0,0,0,0|2,0,0]=4 3723 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|2,0,0]=4 3724 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|2,0,0]=4 3725 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,2,0,0,0,0|2,0,0]=4 3726 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,2,0,0,0,0|2,0,0]=4 3727 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|2,0,0]=4 3728 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3729 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3730 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3731 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3732 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,2,0,0,0,0|2,0,0]=4 3733 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,2,0,0,0,0|2,0,0]=4 3734 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,2,0,0,0,0|2,0,0]=4 3735 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,2,0,0,0,0|1,1,0]=4 3736 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,2,0,0,0,0|1,1,0]=4 3737 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,2,0,0,0,0|1,1,0]=4 3738 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,2,0,0,0,0|1,0,0]=3 3739 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,2,0,0,0,0|1,0,0]=3 3740 B9R0.34 CCCC(C)SC(C)CO 62a_100012180447_100000766640 [0,2,0,0,0,0|2,0,0]=4 3741 B9R0.34 CCCC(C)SC(C)OC 62a_100000766640_100009879195 [0,2,0,0,0,0|2,0,0]=4 3742 B9R0.34 CCCC(C)SC(C)OC 62a_100009879195_100000766640 [0,2,0,0,0,0|2,0,0]=4 3743 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100000766640_100016084084 [0,2,0,0,0,0|2,0,0]=4 3744 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100016084084_100000766640 [0,2,0,0,0,0|2,0,0]=4 3745 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [0,2,0,0,0,0|2,0,0]=4 3746 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [0,2,0,0,0,0|2,0,0]=4 3747 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [0,2,0,0,0,0|2,0,0]=4 3748 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [0,2,0,0,0,0|2,0,0]=4 3749 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [0,2,0,0,0,0|2,0,0]=4 3750 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,2,0,0,0,0|2,0,0]=4 3751 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,2,0,0,0,0|2,0,0]=4 3752 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [0,2,0,0,0,0|2,0,0]=4 3753 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [0,2,0,0,0,0|2,0,0]=4 3754 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|2,0,0]=4 3755 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|2,0,0]=4 3756 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3757 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3758 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3759 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3760 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|2,0,0]=4 3761 B9R0.35 CCCC(C)N(C)CCC 2230a_100000747261_100000766640 [0,2,0,0,0,0|2,0,0]=4 3762 B9R0.35 CCCC(C)N(C)CCC 269982a_100000747261_100000766640 [0,2,0,0,0,0|2,0,0]=4 3763 B9R0.35 CCCC(C)N(C)CCC 270004a_100000747261_100000211909 [0,2,0,0,0,0|2,0,0]=4 3764 B9R0.40 C#CC(CCC)OCCC 34a_200011217317_100000210303 [0,2,0,0,0,0|1,1,0]=4 3765 B9R0.40 C#CC(CCC)OCCC 7a_200011217317_100000210303 [0,2,0,0,0,0|1,1,0]=4 3766 B9R0.40 C=CC(CCC)OCCC 34a_100011216692_100000210303 [0,2,0,0,0,0|1,1,0]=4 3767 B9R0.40 C=CC(CCC)OCCC 7a_100011216692_100000210303 [0,2,0,0,0,0|1,1,0]=4 3768 B9R0.40 CCCC(CC)SCCF 62a_100011217306_100011219200 [0,2,0,0,0,0|2,0,0]=4 3769 B9R0.40 CCCC(CC)SCCF 62a_100011219200_100011217306 [0,2,0,0,0,0|2,0,0]=4 3770 B9R0.40 CCCC(CC)SCCO 62a_100000211926_100011219200 [0,2,0,0,0,0|2,0,0]=4 3771 B9R0.40 CCCC(CC)SCCO 62a_100011219200_100000211926 [0,2,0,0,0,0|2,0,0]=4 3772 B9R0.40 CCCC(CC)SCOC 62a_100000766300_100011219200 [0,2,0,0,0,0|2,0,0]=4 3773 B9R0.40 CCCC(CC)SCOC 62a_100011219200_100000766300 [0,2,0,0,0,0|2,0,0]=4 3774 B9R0.40 CCCC(CC)SCSC 62a_100011218213_100011219200 [0,2,0,0,0,0|2,0,0]=4 3775 B9R0.40 CCCC(CC)SCSC 62a_100011219200_100011218213 [0,2,0,0,0,0|2,0,0]=4 3776 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [0,2,0,0,0,0|2,0,0]=4 3777 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [0,2,0,0,0,0|2,0,0]=4 3778 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [0,2,0,0,0,0|2,0,0]=4 3779 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [0,2,0,0,0,0|2,0,0]=4 3780 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [0,2,0,0,0,0|2,0,0]=4 3781 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [0,2,0,0,0,0|2,0,0]=4 3782 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [0,2,0,0,0,0|2,0,0]=4 3783 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [0,2,0,0,0,0|2,0,0]=4 3784 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [0,2,0,0,0,0|2,0,0]=4 3785 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [0,2,0,0,0,0|2,0,0]=4 3786 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [0,2,0,0,0,0|2,0,0]=4 3787 B9R0.40 CCCCN(CC)CCC 2230a_100000207695_100000210303 [0,2,0,0,0,0|2,0,0]=4 3788 B9R0.40 CCCCN(CC)CCC 2230a_100000226822_100000210211 [0,2,0,0,0,0|2,0,0]=4 3789 B9R0.40 CCCCN(CC)CCC 2230a_200000207744_100000210202 [0,2,0,0,0,0|2,0,0]=4 3790 B9R0.40 CCCCN(CC)CCC 269982a_100000207695_100000210303 [0,2,0,0,0,0|2,0,0]=4 3791 B9R0.40 CCCCN(CC)CCC 269982a_100000226822_100000210211 [0,2,0,0,0,0|2,0,0]=4 3792 B9R0.40 CCCCN(CC)CCC 269982a_200000207744_100000204670 [0,2,0,0,0,0|2,0,0]=4 3793 B9R0.40 CCCCN(CF)CCC 269982a_200000207744_100015361967 [0,2,0,0,0,0|2,0,0]=4 3794 B9R0.40 CCCNC(CC)CCC 2230a_100000747048_100000210303 [0,2,0,0,0,0|2,0,0]=4 3795 B9R0.40 CCCNC(CC)CCC 270004a_100020643023_100000687865 [0,2,0,0,0,0|2,0,0]=4 3796 B9R0.40 CCCN[C@H](CO)CCC 2230a_100000732646_100000210303 [0,2,0,0,0,0|2,0,0]=4 3797 B9R0.40 CCCN[C@H](CO)CCC 34a_100000732646_100000210303 [0,2,0,0,0,0|2,0,0]=4 3798 B9R0.40 CCCOC(C#N)CCC 34a_100000686963_100000210303 [0,2,0,0,0,0|1,1,0]=4 3799 B9R0.40 CCCOC(C#N)CCC 7a_100000686963_100000210303 [0,2,0,0,0,0|1,1,0]=4 3800 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [0,2,0,0,0,0|1,1,0]=4 3801 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [0,2,0,0,0,0|1,1,0]=4 3802 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [0,2,0,0,0,0|1,0,0]=3 3803 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [0,2,0,0,0,0|1,0,0]=3 3804 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,2,0,0,0,0|1,0,1]=4 3805 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,2,0,0,0,0|1,0,1]=4 3806 B9R0.48 CC(C)CSC(C)CCO 62a_100000210624_100009893172 [0,2,0,0,0,0|2,0,0]=4 3807 B9R0.48 CC(C)CSC(C)CCO 62a_100009893172_100000210760 [0,2,0,0,0,0|2,0,0]=4 3808 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,2,0,0,0,0|2,0,0]=4 3809 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,2,0,0,0,0|2,0,0]=4 3810 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,2,0,0,0,0|2,0,0]=4 3811 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,2,0,0,0,0|2,0,0]=4 3812 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|2,0,0]=4 3813 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|2,0,0]=4 3814 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|2,0,0]=4 3815 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3816 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3817 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3818 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3819 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 3820 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 3821 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 3822 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,2,0,0,0,0|2,0,0]=4 3823 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,2,0,0,0,0|2,0,0]=4 3824 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,2,0,0,0,0|2,0,0]=4 3825 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,2,0,0,0,0|2,0,0]=4 3826 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,2,0,0,0,0|2,0,0]=4 3827 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,2,0,0,0,0|2,0,0]=4 3828 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,2,0,0,0,0|2,0,0]=4 3829 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,2,0,0,0,0|2,0,0]=4 3830 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,2,0,0,0,0|2,0,0]=4 3831 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,2,0,0,0,0|2,0,0]=4 3832 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [0,2,0,0,0,0|1,1,0]=4 3833 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,2,0,0,0,0|1,1,0]=4 3834 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,2,0,0,0,0|1,1,0]=4 3835 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,2,0,0,0,0|1,1,0]=4 3836 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [0,2,0,0,0,0|1,1,0]=4 3837 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,2,0,0,0,0|1,1,0]=4 3838 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,2,0,0,0,0|1,1,0]=4 3839 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [0,2,0,0,0,0|1,1,0]=4 3840 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [0,2,0,0,0,0|1,1,0]=4 3841 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,2,0,0,0,0|1,1,0]=4 3842 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,2,0,0,0,0|1,1,0]=4 3843 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,2,0,0,0,0|1,0,0]=3 3844 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,2,0,0,0,0|1,0,0]=3 3845 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,2,0,0,0,0|1,0,0]=3 3846 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,2,0,0,0,0|1,0,0]=3 3847 B9R0.48 CCCC(C)SCC(F)F 62a_100000766640_100011934356 [0,2,0,0,0,0|2,0,0]=4 3848 B9R0.48 CCCC(C)SCC(F)F 62a_100011934356_100000766640 [0,2,0,0,0,0|2,0,0]=4 3849 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,2,0,0,0,0|1,0,0]=3 3850 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,2,0,0,0,0|1,0,0]=3 3851 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,2,0,0,0,0|2,0,0]=4 3852 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,2,0,0,0,0|2,0,0]=4 3853 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,2,0,0,0,0|2,0,0]=4 3854 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,2,0,0,0,0|2,0,0]=4 3856 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,2,0,0,0,0|2,0,0]=4 3857 B9R0.48 COCC(C)SCC(C)C 62a_100000210624_100000765312 [0,2,0,0,0,0|2,0,0]=4 3858 B9R0.48 COCC(C)SCC(C)C 62a_100000765312_100000210760 [0,2,0,0,0,0|2,0,0]=4 3859 B9R0.48 COCC(C)SCC(C)O 62a_100000765312_100011218427 [0,2,0,0,0,0|2,0,0]=4 3860 B9R0.48 COCC(C)SCC(C)O 62a_100011218427_100000765312 [0,2,0,0,0,0|2,0,0]=4 3861 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100000765312_100009817552 [0,2,0,0,0,0|2,0,0]=4 3862 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100009817552_100000765312 [0,2,0,0,0,0|2,0,0]=4 3863 B9R0.66 CCCNS(=O)(=O)CCC 270084a_100020643023_100000211391 [0,2,0,0,0,0|1,0,1]=4 3864 B9R0.66 CCCNS(=O)(=O)CCC 274078a_100020643023_100000211391 [0,2,0,0,0,0|1,0,1]=4 3865 B9R0.66 CCCNS(=O)(=O)CCC 40a_100020643023_100000054278 [0,2,0,0,0,0|1,0,1]=4 3866 B9R0.66 CCCOC(C)(C)CCC 7a_100000748436_100000210303 [0,2,0,0,0,0|1,1,0]=4 3867 B9R0.2 C#CCCCSCC(C)C 62a_100000210624_100011215417 [0,2,0,0,0,0|1,0,1]=4 3868 B9R0.2 C#CCCCSCC(C)C 62a_100011215417_100000210760 [0,2,0,0,0,0|1,0,1]=4 3869 B9R0.2 C#CCCCSCC(C)O 62a_100011215417_100011218427 [0,2,0,0,0,0|1,0,1]=4 3870 B9R0.2 C#CCCCSCC(C)O 62a_100011218427_100011215417 [0,2,0,0,0,0|1,0,1]=4 3871 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100009817552_100011215417 [0,2,0,0,0,0|1,0,1]=4 3872 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100011215417_100009817552 [0,2,0,0,0,0|1,0,1]=4 3873 B9R0.2 C#CCCSCCC(C)C 62a_100000210312_100000688953 [0,2,0,0,0,0|1,0,1]=4 3874 B9R0.2 C#CCCSCCC(C)C 62a_100000688953_100000210312 [0,2,0,0,0,0|1,0,1]=4 3875 B9R0.2 C#CCCSCCC(C)O 62a_100000688953_100012276601 [0,2,0,0,0,0|1,0,1]=4 3876 B9R0.2 C#CCCSCCC(C)O 62a_100012276601_100000688953 [0,2,0,0,0,0|1,0,1]=4 3877 B9R0.2 C/C=C/CSCCC(C)C 62a_100000210312_100102629194 [0,2,0,0,0,0|1,0,1]=4 3878 B9R0.2 C/C=C/CSCCC(C)C 62a_100102629194_100000210312 [0,2,0,0,0,0|1,0,1]=4 3879 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [0,2,0,0,0,0|1,0,1]=4 3880 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [0,2,0,0,0,0|1,0,1]=4 3881 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,2,0,0,0,0|2,0,0]=4 3882 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,2,0,0,0,0|2,0,0]=4 3883 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,2,0,0,0,0|1,1,0]=4 3884 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,2,0,0,0,0|1,1,0]=4 3885 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,2,0,0,0,0|1,1,0]=4 3886 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,2,0,0,0,0|1,0,0]=3 3887 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,2,0,0,0,0|1,0,0]=3 3888 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,2,0,0,0,0|1,0,1]=4 3889 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,2,0,0,0,0|1,0,1]=4 3890 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,2,0,0,0,0|1,0,1]=4 3891 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,2,0,0,0,0|1,0,1]=4 3892 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,2,0,0,0,0|1,0,1]=4 3893 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,2,0,0,0,0|1,0,1]=4 3894 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,2,0,0,0,0|1,0,1]=4 3895 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,2,0,0,0,0|1,0,1]=4 3896 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [0,2,0,0,0,0|1,0,1]=4 3897 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [0,2,0,0,0,0|1,0,1]=4 3898 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,2,0,0,0,0|1,0,1]=4 3899 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,2,0,0,0,0|1,0,1]=4 3900 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,2,0,0,0,0|1,0,1]=4 3901 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,2,0,0,0,0|1,0,1]=4 3902 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,2,0,0,0,0|1,0,1]=4 3903 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,2,0,0,0,0|1,0,1]=4 3904 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,2,0,0,0,0|1,0,1]=4 3905 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,2,0,0,0,0|1,0,1]=4 3906 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [0,2,0,0,0,0|1,0,1]=4 3907 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [0,2,0,0,0,0|1,0,1]=4 3908 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,2,0,0,0,0|1,0,1]=4 3909 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,2,0,0,0,0|1,0,1]=4 3910 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [0,2,0,0,0,0|1,0,1]=4 3911 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [0,2,0,0,0,0|1,0,1]=4 3912 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [0,2,0,0,0,0|1,0,1]=4 3913 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [0,2,0,0,0,0|1,0,1]=4 3914 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [0,2,0,0,0,0|1,0,1]=4 3915 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [0,2,0,0,0,0|1,0,1]=4 3916 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [0,2,0,0,0,0|1,0,1]=4 3917 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [0,2,0,0,0,0|1,0,1]=4 3918 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [0,2,0,0,0,0|1,0,1]=4 3919 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [0,2,0,0,0,0|1,0,1]=4 3920 B9R0.2 CC#CCSCCC(C)C 62a_100000210312_100000748600 [0,2,0,0,0,0|1,0,1]=4 3921 B9R0.2 CC#CCSCCC(C)C 62a_100000748600_100000210312 [0,2,0,0,0,0|1,0,1]=4 3922 B9R0.2 CC#CCSCCC(C)O 62a_100000748600_100012276601 [0,2,0,0,0,0|1,0,1]=4 3923 B9R0.2 CC#CCSCCC(C)O 62a_100012276601_100000748600 [0,2,0,0,0,0|1,0,1]=4 3924 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,2,0,0,0,0|2,0,0]=4 3925 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,2,0,0,0,0|2,0,0]=4 3926 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,2,0,0,0,0|2,0,0]=4 3927 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,2,0,0,0,0|2,0,0]=4 3928 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,2,0,0,0,0|1,0,1]=4 3929 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,2,0,0,0,0|1,0,1]=4 3930 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,2,0,0,0,0|1,0,1]=4 3931 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,2,0,0,0,0|1,0,1]=4 3932 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [0,2,0,0,0,0|1,1,0]=4 3933 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [0,2,0,0,0,0|1,1,0]=4 3934 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [0,2,0,0,0,0|1,1,0]=4 3935 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [0,2,0,0,0,0|1,1,0]=4 3936 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,2,0,0,0,0|2,0,0]=4 3937 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,2,0,0,0,0|2,0,0]=4 3938 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,2,0,0,0,0|2,0,0]=4 3939 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,2,0,0,0,0|2,0,0]=4 3940 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3941 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,2,0,0,0,0|2,0,0]=4 3942 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [0,2,0,0,0,0|2,0,0]=4 3943 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [0,2,0,0,0,0|2,0,0]=4 3944 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [0,2,0,0,0,0|2,0,0]=4 3945 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [0,2,0,0,0,0|2,0,0]=4 3946 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [0,2,0,0,0,0|2,0,0]=4 3947 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [0,2,0,0,0,0|2,0,0]=4 3948 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [0,2,0,0,0,0|2,0,0]=4 3949 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [0,2,0,0,0,0|2,0,0]=4 3950 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [0,2,0,0,0,0|1,1,0]=4 3951 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [0,2,0,0,0,0|1,1,0]=4 3952 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [0,2,0,0,0,0|1,1,0]=4 3953 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [0,2,0,0,0,0|1,1,0]=4 3954 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [0,2,0,0,0,0|1,1,0]=4 3955 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,2,0,0,0,0|1,1,0]=4 3956 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,2,0,0,0,0|1,1,0]=4 3957 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,2,0,0,0,0|1,1,0]=4 3958 B9R0.2 CC(C)CCSCCC#N 62a_100000210312_100011215226 [0,2,0,0,0,0|1,0,1]=4 3959 B9R0.2 CC(C)CCSCCC#N 62a_100011215226_100000210312 [0,2,0,0,0,0|1,0,1]=4 3960 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [0,2,0,0,0,0|1,0,0]=3 3961 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [0,2,0,0,0,0|1,0,0]=3 3962 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [0,2,0,0,0,0|1,0,0]=3 3963 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [0,2,0,0,0,0|1,0,0]=3 3964 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [0,2,0,0,0,0|2,0,0]=4 3965 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [0,2,0,0,0,0|2,0,0]=4 3966 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [0,2,0,0,0,0|2,0,0]=4 3967 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [0,2,0,0,0,0|2,0,0]=4 3968 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [0,2,0,0,0,0|2,0,0]=4 3969 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [0,2,0,0,0,0|2,0,0]=4 3970 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [0,2,0,0,0,0|2,0,0]=4 3971 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [0,2,0,0,0,0|1,1,0]=4 3972 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [0,2,0,0,0,0|1,1,0]=4 3973 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [0,2,0,0,0,0|1,1,0]=4 3974 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [0,2,0,0,0,0|1,1,0]=4 3975 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [0,2,0,0,0,0|1,1,0]=4 3976 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [0,2,0,0,0,0|1,1,0]=4 3977 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [0,2,0,0,0,0|1,1,0]=4 3978 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [0,2,0,0,0,0|1,1,0]=4 3979 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [0,2,0,0,0,0|1,1,0]=4 3980 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [0,2,0,0,0,0|1,1,0]=4 3981 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [0,2,0,0,0,0|1,1,0]=4 3982 B9R0.2 CC(C)CSCCCC#N 62a_100000210624_100000687738 [0,2,0,0,0,0|1,0,1]=4 3983 B9R0.2 CC(C)CSCCCC#N 62a_100000687738_100000210760 [0,2,0,0,0,0|1,0,1]=4 3984 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,2,0,0,0,0|1,0,1]=4 3985 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,2,0,0,0,0|1,0,1]=4 3986 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [0,2,0,0,0,0|1,0,0]=3 3987 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [0,2,0,0,0,0|1,0,0]=3 3988 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [0,2,0,0,0,0|1,0,0]=3 3989 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [0,2,0,0,0,0|1,0,0]=3 3990 B9R0.2 CC(C)CSCCOCF 34a_200000230437_100015361967 [0,2,0,0,0,0|2,0,0]=4 3991 B9R0.2 CC(C)CSCCOCF 7a_200000230437_100015361967 [0,2,0,0,0,0|2,0,0]=4 3992 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [0,2,0,0,0,0|2,0,0]=4 3993 B9R0.2 CC(C)OCCSCCF 62a_100000211751_100011217306 [0,2,0,0,0,0|2,0,0]=4 3994 B9R0.2 CC(C)OCCSCCF 62a_100011217306_100000211751 [0,2,0,0,0,0|2,0,0]=4 3995 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [0,2,0,0,0,0|2,0,0]=4 3996 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [0,2,0,0,0,0|2,0,0]=4 3997 B9R0.2 CC(C)OCSCCCF 62a_100000709892_100011934791 [0,2,0,0,0,0|2,0,0]=4 3998 B9R0.2 CC(C)OCSCCCF 62a_100011934791_100000709892 [0,2,0,0,0,0|2,0,0]=4 3999 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [0,2,0,0,0,0|2,0,0]=4 4000 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [0,2,0,0,0,0|2,0,0]=4 4001 B9R0.2 CC(C)SCCSCCF 62a_100000730970_100011217306 [0,2,0,0,0,0|2,0,0]=4 4002 B9R0.2 CC(C)SCCSCCF 62a_100011217306_100000730970 [0,2,0,0,0,0|2,0,0]=4 4003 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [0,2,0,0,0,0|2,0,0]=4 4004 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [0,2,0,0,0,0|2,0,0]=4 4005 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [0,2,0,0,0,0|1,1,0]=4 4006 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [0,2,0,0,0,0|1,1,0]=4 4007 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,2,0,0,0,0|2,0,0]=4 4008 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,2,0,0,0,0|2,0,0]=4 4009 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,2,0,0,0,0|2,0,0]=4 4010 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,2,0,0,0,0|2,0,0]=4 4011 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,2,0,0,0,0|2,0,0]=4 4012 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,2,0,0,0,0|2,0,0]=4 4013 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,2,0,0,0,0|2,0,0]=4 4014 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,2,0,0,0,0|2,0,0]=4 4015 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,2,0,0,0,0|1,1,0]=4 4016 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,2,0,0,0,0|1,1,0]=4 4017 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,2,0,0,0,0|1,1,0]=4 4018 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,2,0,0,0,0|1,1,0]=4 4019 B9R0.2 CC(O)CCSCCC#N 62a_100011215226_100012276601 [0,2,0,0,0,0|1,0,1]=4 4020 B9R0.2 CC(O)CCSCCC#N 62a_100012276601_100011215226 [0,2,0,0,0,0|1,0,1]=4 4021 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,2,0,0,0,0|1,0,0]=3 4022 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,2,0,0,0,0|1,0,0]=3 4023 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,2,0,0,0,0|1,0,0]=3 4024 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,2,0,0,0,0|1,0,0]=3 4025 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,2,0,0,0,0|2,0,0]=4 4026 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,2,0,0,0,0|2,0,0]=4 4027 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,2,0,0,0,0|2,0,0]=4 4028 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,2,0,0,0,0|2,0,0]=4 4029 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,2,0,0,0,0|2,0,0]=4 4030 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,2,0,0,0,0|2,0,0]=4 4031 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,2,0,0,0,0|1,1,0]=4 4032 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,2,0,0,0,0|1,1,0]=4 4033 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,2,0,0,0,0|1,1,0]=4 4034 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,2,0,0,0,0|1,1,0]=4 4035 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,2,0,0,0,0|1,1,0]=4 4036 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,2,0,0,0,0|1,1,0]=4 4037 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,2,0,0,0,0|1,1,0]=4 4038 B9R0.2 CC(O)CSCCCC#N 62a_100000687738_100011218427 [0,2,0,0,0,0|1,0,1]=4 4039 B9R0.2 CC(O)CSCCCC#N 62a_100011218427_100000687738 [0,2,0,0,0,0|1,0,1]=4 4040 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,2,0,0,0,0|1,0,1]=4 4041 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,2,0,0,0,0|1,0,1]=4 4042 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,2,0,0,0,0|1,0,0]=3 4043 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,2,0,0,0,0|1,0,0]=3 4044 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,2,0,0,0,0|1,0,0]=3 4045 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,2,0,0,0,0|1,0,0]=3 4046 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [0,2,0,0,0,0|1,0,1]=4 4047 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [0,2,0,0,0,0|1,0,1]=4 4048 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [0,2,0,0,0,0|1,0,1]=4 4049 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [0,2,0,0,0,0|1,0,1]=4 4050 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [0,2,0,0,0,0|1,0,1]=4 4051 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [0,2,0,0,0,0|1,0,1]=4 4052 B9R0.2 CC=CCSCCC(C)C 62a_100000070051_100000210312 [0,2,0,0,0,0|1,0,1]=4 4053 B9R0.2 CC=CCSCCC(C)C 62a_100000210312_100000070051 [0,2,0,0,0,0|1,0,1]=4 4054 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [0,2,0,0,0,0|1,0,1]=4 4055 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [0,2,0,0,0,0|1,0,1]=4 4056 B9R0.2 CCC#CCSCC(C)C 62a_100000210624_100009813939 [0,2,0,0,0,0|1,0,1]=4 4057 B9R0.2 CCC#CCSCC(C)C 62a_100009813939_100000210760 [0,2,0,0,0,0|1,0,1]=4 4058 B9R0.2 CCC#CCSCC(C)O 62a_100009813939_100011218427 [0,2,0,0,0,0|1,0,1]=4 4059 B9R0.2 CCC#CCSCC(C)O 62a_100011218427_100009813939 [0,2,0,0,0,0|1,0,1]=4 4060 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009813939_100009817552 [0,2,0,0,0,0|1,0,1]=4 4061 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009817552_100009813939 [0,2,0,0,0,0|1,0,1]=4 4062 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [0,2,0,0,0,0|2,0,0]=4 4063 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [0,2,0,0,0,0|2,0,0]=4 4064 B9R0.2 CCCC#CCOC(C)C 34a_100000034806_100000210206 [0,2,0,0,0,0|2,0,0]=4 4065 B9R0.2 CCCC#CCOC(C)C 7a_100000034806_100000210206 [0,2,0,0,0,0|2,0,0]=4 4066 B9R0.2 CCCC=NNCC(C)O 4a_200000730056_100000185831 [0,2,0,0,0,0|2,0,0]=4 4067 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,2,0,0,0,0|2,0,0]=4 4068 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,2,0,0,0,0|2,0,0]=4 4069 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,2,0,0,0,0|2,0,0]=4 4070 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,2,0,0,0,0|2,0,0]=4 4071 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,2,0,0,0,0|2,0,0]=4 4072 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,2,0,0,0,0|2,0,0]=4 4073 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,2,0,0,0,0|2,0,0]=4 4074 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,2,0,0,0,0|2,0,0]=4 4075 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,2,0,0,0,0|2,0,0]=4 4076 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,2,0,0,0,0|2,0,0]=4 4077 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,2,0,0,0,0|2,0,0]=4 4078 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,2,0,0,0,0|2,0,0]=4 4079 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,2,0,0,0,0|2,0,0]=4 4080 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,2,0,0,0,0|2,0,0]=4 4081 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,2,0,0,0,0|2,0,0]=4 4082 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,2,0,0,0,0|2,0,0]=4 4083 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,2,0,0,0,0|2,0,0]=4 4084 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [0,2,0,0,0,0|2,0,0]=4 4085 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [0,2,0,0,0,0|2,0,0]=4 4086 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [0,2,0,0,0,0|2,0,0]=4 4087 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [0,2,0,0,0,0|2,0,0]=4 4088 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,2,0,0,0,0|2,0,0]=4 4089 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,2,0,0,0,0|2,0,0]=4 4090 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,2,0,0,0,0|2,0,0]=4 4091 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,2,0,0,0,0|2,0,0]=4 4092 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,2,0,0,0,0|1,1,0]=4 4093 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,2,0,0,0,0|1,1,0]=4 4094 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,2,0,0,0,0|1,1,0]=4 4095 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,2,0,0,0,0|1,1,0]=4 4096 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,2,0,0,0,0|1,1,0]=4 4097 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,2,0,0,0,0|1,1,0]=4 4098 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,2,0,0,0,0|1,1,0]=4 4099 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,2,0,0,0,0|1,1,0]=4 4100 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,2,0,0,0,0|1,1,0]=4 4101 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,2,0,0,0,0|1,1,0]=4 4102 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,2,0,0,0,0|1,1,0]=4 4103 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [0,2,0,0,0,0|1,0,0]=3 4104 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [0,2,0,0,0,0|1,0,0]=3 4105 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,2,0,0,0,0|1,0,0]=3 4106 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,2,0,0,0,0|1,0,0]=3 4107 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [0,2,0,0,0,0|2,0,0]=4 4108 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [0,2,0,0,0,0|2,0,0]=4 4109 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,2,0,0,0,0|1,0,0]=3 4110 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,2,0,0,0,0|1,0,0]=3 4111 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,2,0,0,0,0|2,0,0]=4 4112 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [0,2,0,0,0,0|2,0,0]=4 4113 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [0,2,0,0,0,0|2,0,0]=4 4114 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [0,2,0,0,0,0|2,0,0]=4 4115 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,2,0,0,0,0|2,0,0]=4 4116 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,2,0,0,0,0|2,0,0]=4 4117 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,2,0,0,0,0|2,0,0]=4 4118 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [0,2,0,0,0,0|2,0,0]=4 4119 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [0,2,0,0,0,0|2,0,0]=4 4120 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,2,0,0,0,0|1,1,0]=4 4121 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,2,0,0,0,0|1,1,0]=4 4122 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,2,0,0,0,0|1,1,0]=4 4123 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,2,0,0,0,0|1,1,0]=4 4124 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [0,2,0,0,0,0|1,1,0]=4 4125 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,2,0,0,0,0|1,1,0]=4 4126 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,2,0,0,0,0|1,1,0]=4 4127 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,2,0,0,0,0|1,1,0]=4 4128 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,2,0,0,0,0|1,1,0]=4 4129 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,2,0,0,0,0|1,1,0]=4 4130 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,2,0,0,0,0|1,1,0]=4 4131 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [0,2,0,0,0,0|1,1,0]=4 4132 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [0,2,0,0,0,0|1,1,0]=4 4133 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [0,2,0,0,0,0|1,1,0]=4 4134 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [0,2,0,0,0,0|1,1,0]=4 4135 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [0,2,0,0,0,0|1,1,0]=4 4136 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [0,2,0,0,0,0|1,1,0]=4 4137 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [0,2,0,0,0,0|1,1,0]=4 4138 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [0,2,0,0,0,0|1,1,0]=4 4139 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [0,2,0,0,0,0|1,1,0]=4 4140 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [0,2,0,0,0,0|1,1,0]=4 4141 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [0,2,0,0,0,0|1,1,0]=4 4142 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,2,0,0,0,0|1,0,1]=4 4143 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,2,0,0,0,0|1,0,1]=4 4144 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,2,0,0,0,0|1,0,0]=3 4145 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,2,0,0,0,0|1,0,0]=3 4146 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,2,0,0,0,0|1,0,1]=4 4147 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,2,0,0,0,0|1,0,1]=4 4148 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [0,2,0,0,0,0|1,0,0]=3 4149 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [0,2,0,0,0,0|1,0,0]=3 4150 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,2,0,0,0,0|1,0,0]=3 4151 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,2,0,0,0,0|1,0,0]=3 4152 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [0,2,0,0,0,0|1,0,0]=3 4153 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,2,0,0,0,0|1,0,1]=4 4154 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,2,0,0,0,0|1,0,1]=4 4155 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [0,2,0,0,0,0|1,0,0]=3 4156 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [0,2,0,0,0,0|1,0,0]=3 4157 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [0,2,0,0,0,0|2,0,0]=4 4158 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [0,2,0,0,0,0|2,0,0]=4 4159 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,2,0,0,0,0|2,0,0]=4 4160 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,2,0,0,0,0|2,0,0]=4 4161 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,2,0,0,0,0|2,0,0]=4 4162 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [0,2,0,0,0,0|2,0,0]=4 4163 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [0,2,0,0,0,0|2,0,0]=4 4164 B9R0.2 CCCNN=CCC(C)C 4a_100000740057_100000185833 [0,2,0,0,0,0|2,0,0]=4 4165 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,2,0,0,0,0|1,1,0]=4 4166 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,2,0,0,0,0|1,1,0]=4 4167 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,2,0,0,0,0|1,1,0]=4 4168 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,2,0,0,0,0|1,1,0]=4 4169 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,2,0,0,0,0|1,1,0]=4 4170 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,2,0,0,0,0|1,1,0]=4 4171 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,2,0,0,0,0|1,1,0]=4 4172 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [0,2,0,0,0,0|1,1,0]=4 4173 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [0,2,0,0,0,0|1,1,0]=4 4174 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [0,2,0,0,0,0|1,1,0]=4 4175 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [0,2,0,0,0,0|1,1,0]=4 4176 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [0,2,0,0,0,0|1,1,0]=4 4177 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,2,0,0,0,0|1,1,0]=4 4178 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,2,0,0,0,0|1,1,0]=4 4179 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,2,0,0,0,0|1,1,0]=4 4180 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,2,0,0,0,0|1,1,0]=4 4181 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,2,0,0,0,0|1,1,0]=4 4182 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,2,0,0,0,0|1,1,0]=4 4183 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [0,2,0,0,0,0|1,1,0]=4 4184 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [0,2,0,0,0,0|1,1,0]=4 4185 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [0,2,0,0,0,0|1,1,0]=4 4186 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [0,2,0,0,0,0|1,1,0]=4 4187 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [0,2,0,0,0,0|1,1,0]=4 4188 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,2,0,0,0,0|1,0,1]=4 4189 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,2,0,0,0,0|1,0,1]=4 4190 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,2,0,0,0,0|1,0,0]=3 4191 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,2,0,0,0,0|1,0,0]=3 4192 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,2,0,0,0,0|1,0,1]=4 4193 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,2,0,0,0,0|1,0,1]=4 4194 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [0,2,0,0,0,0|1,0,0]=3 4195 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [0,2,0,0,0,0|1,0,0]=3 4196 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,2,0,0,0,0|1,0,0]=3 4197 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,2,0,0,0,0|1,0,0]=3 4198 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [0,2,0,0,0,0|1,0,0]=3 4199 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,2,0,0,0,0|1,0,1]=4 4200 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,2,0,0,0,0|1,0,1]=4 4201 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,2,0,0,0,0|1,0,1]=4 4202 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,2,0,0,0,0|1,0,1]=4 4203 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,2,0,0,0,0|1,0,1]=4 4204 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [0,2,0,0,0,0|1,0,0]=3 4205 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,2,0,0,0,0|1,0,1]=4 4206 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,2,0,0,0,0|1,0,1]=4 4207 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,2,0,0,0,0|1,0,0]=3 4208 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,2,0,0,0,0|1,0,0]=3 4209 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,2,0,0,0,0|1,0,0]=3 4210 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,2,0,0,0,0|1,0,0]=3 4211 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [0,2,0,0,0,0|1,0,0]=3 4212 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [0,2,0,0,0,0|1,0,0]=3 4213 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,2,0,0,0,0|2,0,0]=4 4214 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,2,0,0,0,0|2,0,0]=4 4215 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,2,0,0,0,0|2,0,0]=4 4216 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,2,0,0,0,0|2,0,0]=4 4217 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [0,2,0,0,0,0|2,0,0]=4 4218 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [0,2,0,0,0,0|2,0,0]=4 4219 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [0,2,0,0,0,0|2,0,0]=4 4220 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [0,2,0,0,0,0|2,0,0]=4 4221 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [0,2,0,0,0,0|2,0,0]=4 4222 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [0,2,0,0,0,0|2,0,0]=4 4223 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,2,0,0,0,0|2,0,0]=4 4224 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,2,0,0,0,0|2,0,0]=4 4225 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,2,0,0,0,0|2,0,0]=4 4226 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,2,0,0,0,0|2,0,0]=4 4227 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,2,0,0,0,0|2,0,0]=4 4228 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,2,0,0,0,0|2,0,0]=4 4229 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [0,2,0,0,0,0|1,1,0]=4 4230 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [0,2,0,0,0,0|1,1,0]=4 4231 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [0,2,0,0,0,0|1,1,0]=4 4232 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [0,2,0,0,0,0|1,1,0]=4 4233 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [0,2,0,0,0,0|1,1,0]=4 4234 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [0,2,0,0,0,0|1,1,0]=4 4235 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [0,2,0,0,0,0|1,1,0]=4 4236 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,2,0,0,0,0|1,1,0]=4 4237 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,2,0,0,0,0|1,1,0]=4 4238 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [0,2,0,0,0,0|1,1,0]=4 4239 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [0,2,0,0,0,0|1,1,0]=4 4240 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,2,0,0,0,0|1,1,0]=4 4241 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,2,0,0,0,0|1,1,0]=4 4242 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [0,2,0,0,0,0|1,0,0]=3 4243 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [0,2,0,0,0,0|1,0,0]=3 4244 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [0,2,0,0,0,0|1,0,0]=3 4245 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [0,2,0,0,0,0|1,0,0]=3 4246 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,2,0,0,0,0|1,0,0]=3 4247 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,2,0,0,0,0|1,0,0]=3 4248 B9R0.2 CCOCCSCC(F)F 62a_100000210147_100011934356 [0,2,0,0,0,0|2,0,0]=4 4249 B9R0.2 CCOCCSCC(F)F 62a_100011934356_100011215890 [0,2,0,0,0,0|2,0,0]=4 4250 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,2,0,0,0,0|1,0,0]=3 4251 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,2,0,0,0,0|1,0,0]=3 4252 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,2,0,0,0,0|1,0,1]=4 4253 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,2,0,0,0,0|1,0,1]=4 4254 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [0,2,0,0,0,0|1,0,0]=3 4255 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [0,2,0,0,0,0|1,0,0]=3 4256 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,2,0,0,0,0|1,0,0]=3 4257 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,2,0,0,0,0|1,0,0]=3 4258 B9R0.2 CCOCSCCN(C)C 62a_100000739092_100000755713 [0,2,0,0,0,0|2,0,0]=4 4259 B9R0.2 CCOCSCOC(C)C 62a_100000709892_100000739092 [0,2,0,0,0,0|2,0,0]=4 4260 B9R0.2 CCOCSCOC(C)C 62a_100000739092_100000709892 [0,2,0,0,0,0|2,0,0]=4 4261 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,2,0,0,0,0|2,0,0]=4 4262 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,2,0,0,0,0|2,0,0]=4 4263 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [0,2,0,0,0,0|2,0,0]=4 4264 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [0,2,0,0,0,0|2,0,0]=4 4265 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [0,2,0,0,0,0|2,0,0]=4 4266 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [0,2,0,0,0,0|2,0,0]=4 4267 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [0,2,0,0,0,0|2,0,0]=4 4268 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [0,2,0,0,0,0|2,0,0]=4 4269 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [0,2,0,0,0,0|2,0,0]=4 4270 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [0,2,0,0,0,0|2,0,0]=4 4271 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [0,2,0,0,0,0|1,1,0]=4 4272 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [0,2,0,0,0,0|1,1,0]=4 4273 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [0,2,0,0,0,0|1,1,0]=4 4274 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [0,2,0,0,0,0|1,1,0]=4 4275 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [0,2,0,0,0,0|1,1,0]=4 4276 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [0,2,0,0,0,0|1,1,0]=4 4277 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [0,2,0,0,0,0|1,1,0]=4 4278 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [0,2,0,0,0,0|1,1,0]=4 4279 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [0,2,0,0,0,0|1,1,0]=4 4280 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [0,2,0,0,0,0|1,1,0]=4 4281 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [0,2,0,0,0,0|1,1,0]=4 4282 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [0,2,0,0,0,0|1,0,0]=3 4283 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [0,2,0,0,0,0|1,0,0]=3 4284 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,2,0,0,0,0|1,0,0]=3 4285 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,2,0,0,0,0|1,0,0]=3 4286 B9R0.2 CCSCCSCC(F)F 62a_100000757381_100011934356 [0,2,0,0,0,0|2,0,0]=4 4287 B9R0.2 CCSCCSCC(F)F 62a_100011934356_100000757381 [0,2,0,0,0,0|2,0,0]=4 4288 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,2,0,0,0,0|1,0,0]=3 4289 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,2,0,0,0,0|1,0,0]=3 4290 B9R0.2 CN(C)CCCSCCF 62a_100011217306_100000757444 [0,2,0,0,0,0|2,0,0]=4 4291 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [0,2,0,0,0,0|2,0,0]=4 4292 B9R0.2 CN(C)CCSCCCF 62a_100011934791_100000755713 [0,2,0,0,0,0|2,0,0]=4 4293 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [0,2,0,0,0,0|2,0,0]=4 4294 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,2,0,0,0,0|2,0,0]=4 4295 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,2,0,0,0,0|2,0,0]=4 4296 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,2,0,0,0,0|2,0,0]=4 4297 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,2,0,0,0,0|2,0,0]=4 4298 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,2,0,0,0,0|2,0,0]=4 4299 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [0,2,0,0,0,0|1,1,0]=4 4300 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [0,2,0,0,0,0|1,1,0]=4 4301 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [0,2,0,0,0,0|1,1,0]=4 4302 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,2,0,0,0,0|1,1,0]=4 4303 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,2,0,0,0,0|1,1,0]=4 4304 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,2,0,0,0,0|2,0,0]=4 4305 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,2,0,0,0,0|2,0,0]=4 4306 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,2,0,0,0,0|2,0,0]=4 4307 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [0,2,0,0,0,0|2,0,0]=4 4308 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [0,2,0,0,0,0|2,0,0]=4 4309 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [0,2,0,0,0,0|2,0,0]=4 4310 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [0,2,0,0,0,0|2,0,0]=4 4311 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,2,0,0,0,0|2,0,0]=4 4312 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,2,0,0,0,0|2,0,0]=4 4313 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,2,0,0,0,0|2,0,0]=4 4314 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,2,0,0,0,0|2,0,0]=4 4315 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [0,2,0,0,0,0|1,1,0]=4 4316 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [0,2,0,0,0,0|1,1,0]=4 4317 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [0,2,0,0,0,0|1,1,0]=4 4318 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [0,2,0,0,0,0|1,1,0]=4 4319 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,2,0,0,0,0|1,1,0]=4 4320 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [0,2,0,0,0,0|1,1,0]=4 4321 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [0,2,0,0,0,0|1,1,0]=4 4322 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,2,0,0,0,0|1,1,0]=4 4323 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [0,2,0,0,0,0|1,0,0]=3 4324 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [0,2,0,0,0,0|1,0,0]=3 4325 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,2,0,0,0,0|1,0,0]=3 4326 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,2,0,0,0,0|1,0,0]=3 4327 B9R0.2 COCCCSCC(F)F 62a_100000709357_100011934356 [0,2,0,0,0,0|2,0,0]=4 4328 B9R0.2 COCCCSCC(F)F 62a_100011934356_100000709357 [0,2,0,0,0,0|2,0,0]=4 4329 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,2,0,0,0,0|1,0,0]=3 4330 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,2,0,0,0,0|1,0,0]=3 4331 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [0,2,0,0,0,0|2,0,0]=4 4332 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [0,2,0,0,0,0|2,0,0]=4 4333 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,2,0,0,0,0|2,0,0]=4 4334 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,2,0,0,0,0|2,0,0]=4 4335 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [0,2,0,0,0,0|1,1,0]=4 4336 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [0,2,0,0,0,0|1,1,0]=4 4337 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [0,2,0,0,0,0|1,1,0]=4 4338 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [0,2,0,0,0,0|1,1,0]=4 4339 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,2,0,0,0,0|1,1,0]=4 4340 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [0,2,0,0,0,0|1,1,0]=4 4341 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,2,0,0,0,0|1,0,1]=4 4342 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,2,0,0,0,0|1,0,1]=4 4343 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [0,2,0,0,0,0|1,0,0]=3 4344 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [0,2,0,0,0,0|1,0,0]=3 4345 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,2,0,0,0,0|1,0,0]=3 4346 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,2,0,0,0,0|1,0,0]=3 4347 B9R0.2 COCCSCCN(C)C 62a_100000233755_100000755713 [0,2,0,0,0,0|2,0,0]=4 4348 B9R0.2 COCCSCOC(C)C 62a_100000233755_100000709892 [0,2,0,0,0,0|2,0,0]=4 4349 B9R0.2 COCCSCOC(C)C 62a_100000709892_100000233755 [0,2,0,0,0,0|2,0,0]=4 4350 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,2,0,0,0,0|2,0,0]=4 4351 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,2,0,0,0,0|2,0,0]=4 4352 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [0,2,0,0,0,0|2,0,0]=4 4353 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [0,2,0,0,0,0|2,0,0]=4 4354 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,2,0,0,0,0|2,0,0]=4 4355 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,2,0,0,0,0|2,0,0]=4 4356 B9R0.2 COCSCCCN(C)C 62a_100000766300_100000757444 [0,2,0,0,0,0|2,0,0]=4 4357 B9R0.2 COCSCCOC(C)C 62a_100000211751_100000766300 [0,2,0,0,0,0|2,0,0]=4 4358 B9R0.2 COCSCCOC(C)C 62a_100000766300_100000211751 [0,2,0,0,0,0|2,0,0]=4 4359 B9R0.2 COCSCCSC(C)C 62a_100000730970_100000766300 [0,2,0,0,0,0|2,0,0]=4 4360 B9R0.2 COCSCCSC(C)C 62a_100000766300_100000730970 [0,2,0,0,0,0|2,0,0]=4 4361 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,2,0,0,0,0|2,0,0]=4 4362 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,2,0,0,0,0|2,0,0]=4 4363 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [0,2,0,0,0,0|2,0,0]=4 4364 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [0,2,0,0,0,0|2,0,0]=4 4365 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,2,0,0,0,0|2,0,0]=4 4366 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,2,0,0,0,0|2,0,0]=4 4367 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [0,2,0,0,0,0|1,1,0]=4 4368 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [0,2,0,0,0,0|1,1,0]=4 4369 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,2,0,0,0,0|1,1,0]=4 4370 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,2,0,0,0,0|1,1,0]=4 4371 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,2,0,0,0,0|1,1,0]=4 4372 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,2,0,0,0,0|1,1,0]=4 4373 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [0,2,0,0,0,0|2,0,0]=4 4374 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [0,2,0,0,0,0|2,0,0]=4 4375 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,2,0,0,0,0|2,0,0]=4 4376 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,2,0,0,0,0|2,0,0]=4 4377 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [0,2,0,0,0,0|1,1,0]=4 4378 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,2,0,0,0,0|1,1,0]=4 4379 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,2,0,0,0,0|1,1,0]=4 4380 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,2,0,0,0,0|1,1,0]=4 4381 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,2,0,0,0,0|1,1,0]=4 4382 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,2,0,0,0,0|1,1,0]=4 4383 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,2,0,0,0,0|1,1,0]=4 4384 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [0,2,0,0,0,0|1,1,0]=4 4385 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,2,0,0,0,0|1,0,1]=4 4386 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,2,0,0,0,0|1,0,1]=4 4387 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [0,2,0,0,0,0|1,0,0]=3 4388 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [0,2,0,0,0,0|1,0,0]=3 4389 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,2,0,0,0,0|1,0,0]=3 4390 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,2,0,0,0,0|1,0,0]=3 4391 B9R0.2 CSCCSCCN(C)C 62a_100000212216_100000755713 [0,2,0,0,0,0|2,0,0]=4 4392 B9R0.2 CSCCSCOC(C)C 62a_100000212216_100000709892 [0,2,0,0,0,0|2,0,0]=4 4393 B9R0.2 CSCCSCOC(C)C 62a_100000709892_100000751147 [0,2,0,0,0,0|2,0,0]=4 4394 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,2,0,0,0,0|2,0,0]=4 4395 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,2,0,0,0,0|2,0,0]=4 4396 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [0,2,0,0,0,0|2,0,0]=4 4397 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [0,2,0,0,0,0|2,0,0]=4 4398 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,2,0,0,0,0|2,0,0]=4 4399 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,2,0,0,0,0|2,0,0]=4 4400 B9R0.2 CSCSCCCN(C)C 62a_100011218213_100000757444 [0,2,0,0,0,0|2,0,0]=4 4401 B9R0.2 CSCSCCOC(C)C 62a_100000211751_100011218213 [0,2,0,0,0,0|2,0,0]=4 4402 B9R0.2 CSCSCCOC(C)C 62a_100011218213_100000211751 [0,2,0,0,0,0|2,0,0]=4 4403 B9R0.2 CSCSCCSC(C)C 62a_100000730970_100011218213 [0,2,0,0,0,0|2,0,0]=4 4404 B9R0.2 CSCSCCSC(C)C 62a_100011218213_100000730970 [0,2,0,0,0,0|2,0,0]=4 4405 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [0,2,0,0,0,0|1,1,0]=4 4406 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [0,2,0,0,0,0|1,1,0]=4 4407 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [0,2,0,0,0,0|1,1,0]=4 4408 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [0,2,0,0,0,0|1,1,0]=4 4409 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [0,2,0,0,0,0|1,1,0]=4 4410 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [0,2,0,0,0,0|1,1,0]=4 4411 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,2,0,0,0,0|2,0,0]=4 4412 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,2,0,0,0,0|2,0,0]=4 4413 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,2,0,0,0,0|1,1,0]=4 4414 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,2,0,0,0,0|1,1,0]=4 4415 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,2,0,0,0,0|1,1,0]=4 4416 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,2,0,0,0,0|1,1,0]=4 4417 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,2,0,0,0,0|1,1,0]=4 4418 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,2,0,0,0,0|1,1,0]=4 4419 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,2,0,0,0,0|1,1,0]=4 4420 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100000687738_100009817552 [0,2,0,0,0,0|1,0,1]=4 4421 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100009817552_100000687738 [0,2,0,0,0,0|1,0,1]=4 4422 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,2,0,0,0,0|1,0,1]=4 4423 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,2,0,0,0,0|1,0,1]=4 4424 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,2,0,0,0,0|1,0,0]=3 4425 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,2,0,0,0,0|1,0,0]=3 4426 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,2,0,0,0,0|1,0,0]=3 4427 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,2,0,0,0,0|1,0,0]=3 4428 B9R0.2 FCCCCSCC(F)F 62a_100000729493_100011934356 [0,2,0,0,0,0|2,0,0]=4 4429 B9R0.2 FCCCCSCC(F)F 62a_100011934356_100000729493 [0,2,0,0,0,0|2,0,0]=4 4430 B9R0.2 OCCCCSCC(F)F 62a_100000210776_100011934356 [0,2,0,0,0,0|2,0,0]=4 4431 B9R0.2 OCCCCSCC(F)F 62a_100011934356_100000210776 [0,2,0,0,0,0|2,0,0]=4 4432 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [0,2,0,0,0,0|2,0,0]=4 4433 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [0,2,0,0,0,0|2,0,0]=4 4434 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,2,0,0,0,0|1,1,0]=4 4435 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,2,0,0,0,0|1,1,0]=4 4436 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,2,0,0,0,0|1,1,0]=4 4437 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [0,2,0,0,0,0|1,0,0]=3 4438 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [0,2,0,0,0,0|1,0,0]=3 4439 B9R0.45 C#CCCCCSCCF 62a_100010269958_100011217306 [0,2,0,0,0,0|2,0,0]=4 4440 B9R0.45 C#CCCCCSCCF 62a_100011217306_100010269958 [0,2,0,0,0,0|2,0,0]=4 4441 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [0,2,0,0,0,0|2,0,0]=4 4442 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [0,2,0,0,0,0|2,0,0]=4 4443 B9R0.45 C#CCCCCSCOC 62a_100000766300_100010269958 [0,2,0,0,0,0|2,0,0]=4 4444 B9R0.45 C#CCCCCSCOC 62a_100010269958_100000766300 [0,2,0,0,0,0|2,0,0]=4 4445 B9R0.45 C#CCCCCSCSC 62a_100010269958_100011218213 [0,2,0,0,0,0|2,0,0]=4 4446 B9R0.45 C#CCCCCSCSC 62a_100011218213_100010269958 [0,2,0,0,0,0|2,0,0]=4 4447 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [0,2,0,0,0,0|2,0,0]=4 4448 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [0,2,0,0,0,0|2,0,0]=4 4449 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [0,2,0,0,0,0|2,0,0]=4 4450 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [0,2,0,0,0,0|1,1,0]=4 4451 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [0,2,0,0,0,0|1,1,0]=4 4452 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [0,2,0,0,0,0|1,1,0]=4 4453 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [0,2,0,0,0,0|1,1,0]=4 4454 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [0,2,0,0,0,0|1,0,0]=3 4455 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [0,2,0,0,0,0|1,0,0]=3 4456 B9R0.45 C#CCCCSCCCF 62a_100011215417_100011934791 [0,2,0,0,0,0|1,0,1]=4 4457 B9R0.45 C#CCCCSCCCF 62a_100011934791_100011215417 [0,2,0,0,0,0|1,0,1]=4 4458 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [0,2,0,0,0,0|1,0,1]=4 4459 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [0,2,0,0,0,0|1,0,1]=4 4460 B9R0.45 C#CCCCSCCOC 62a_100000233755_100011215417 [0,2,0,0,0,0|1,0,1]=4 4461 B9R0.45 C#CCCCSCCOC 62a_100011215417_100000233755 [0,2,0,0,0,0|1,0,1]=4 4462 B9R0.45 C#CCCCSCCSC 62a_100000212216_100011215417 [0,2,0,0,0,0|1,0,1]=4 4463 B9R0.45 C#CCCCSCCSC 62a_100011215417_100000751147 [0,2,0,0,0,0|1,0,1]=4 4464 B9R0.45 C#CCCCSCOCC 62a_100000739092_100011215417 [0,2,0,0,0,0|1,0,1]=4 4465 B9R0.45 C#CCCCSCOCC 62a_100011215417_100000739092 [0,2,0,0,0,0|1,0,1]=4 4466 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [0,2,0,0,0,0|1,0,1]=4 4467 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [0,2,0,0,0,0|1,0,1]=4 4468 B9R0.45 C#CCCSCCCCF 62a_100000688953_100000729493 [0,2,0,0,0,0|1,0,1]=4 4469 B9R0.45 C#CCCSCCCCF 62a_100000729493_100000688953 [0,2,0,0,0,0|1,0,1]=4 4470 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [0,2,0,0,0,0|1,0,1]=4 4471 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [0,2,0,0,0,0|1,0,1]=4 4472 B9R0.45 C#CCCSCCCOC 62a_100000688953_100000709357 [0,2,0,0,0,0|1,0,1]=4 4473 B9R0.45 C#CCCSCCCOC 62a_100000709357_100000688953 [0,2,0,0,0,0|1,0,1]=4 4474 B9R0.45 C#CCCSCCOCC 62a_100000210147_100000688953 [0,2,0,0,0,0|1,0,1]=4 4475 B9R0.45 C#CCCSCCOCC 62a_100000688953_100011215890 [0,2,0,0,0,0|1,0,1]=4 4476 B9R0.45 C#CCCSCCSCC 62a_100000688953_100000757381 [0,2,0,0,0,0|1,0,1]=4 4477 B9R0.45 C#CCCSCCSCC 62a_100000757381_100000688953 [0,2,0,0,0,0|1,0,1]=4 4478 B9R0.45 C#CCNCCSCCC 2230a_100020603323_100000038162 [0,2,0,0,0,0|1,0,1]=4 4479 B9R0.45 C#CCOCCSCCC 34a_200000230433_100000184674 [0,2,0,0,0,0|1,0,1]=4 4480 B9R0.45 C#CCOCCSCCC 62a_100000210303_100010402529 [0,2,0,0,0,0|1,0,1]=4 4481 B9R0.45 C#CCOCCSCCC 62a_100010402529_100000210303 [0,2,0,0,0,0|1,0,1]=4 4482 B9R0.45 C#CCOCCSCCC 7a_200000230433_100000038162 [0,2,0,0,0,0|1,0,1]=4 4483 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,2,0,0,0,0|1,1,0]=4 4484 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,2,0,0,0,0|1,0,1]=4 4485 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,2,0,0,0,0|1,0,1]=4 4486 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [0,2,0,0,0,0|1,0,1]=4 4487 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [0,2,0,0,0,0|1,0,1]=4 4488 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,2,0,0,0,0|1,0,1]=4 4489 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,2,0,0,0,0|1,0,1]=4 4490 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [0,2,0,0,0,0|1,0,1]=4 4491 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [0,2,0,0,0,0|1,0,1]=4 4492 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [0,2,0,0,0,0|1,0,1]=4 4493 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [0,2,0,0,0,0|1,0,1]=4 4494 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [0,2,0,0,0,0|1,0,1]=4 4495 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [0,2,0,0,0,0|1,0,1]=4 4496 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,2,0,0,0,0|2,0,0]=4 4497 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,2,0,0,0,0|2,0,0]=4 4498 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,2,0,0,0,0|1,1,0]=4 4499 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,2,0,0,0,0|1,1,0]=4 4500 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,2,0,0,0,0|1,1,0]=4 4501 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,2,0,0,0,0|1,0,0]=3 4502 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,2,0,0,0,0|1,0,0]=3 4503 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [0,2,0,0,0,0|2,0,0]=4 4504 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [0,2,0,0,0,0|2,0,0]=4 4505 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,2,0,0,0,0|2,0,0]=4 4506 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,2,0,0,0,0|2,0,0]=4 4507 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [0,2,0,0,0,0|2,0,0]=4 4508 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [0,2,0,0,0,0|2,0,0]=4 4509 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [0,2,0,0,0,0|2,0,0]=4 4510 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [0,2,0,0,0,0|2,0,0]=4 4511 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,2,0,0,0,0|2,0,0]=4 4512 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,2,0,0,0,0|2,0,0]=4 4513 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,2,0,0,0,0|2,0,0]=4 4514 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,2,0,0,0,0|2,0,0]=4 4515 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,2,0,0,0,0|1,1,0]=4 4516 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,2,0,0,0,0|1,1,0]=4 4517 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,2,0,0,0,0|1,1,0]=4 4518 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,2,0,0,0,0|1,1,0]=4 4519 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,2,0,0,0,0|1,0,0]=3 4520 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,2,0,0,0,0|1,0,0]=3 4521 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [0,2,0,0,0,0|1,0,1]=4 4522 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [0,2,0,0,0,0|1,0,1]=4 4523 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,2,0,0,0,0|1,0,1]=4 4524 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,2,0,0,0,0|1,0,1]=4 4525 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,2,0,0,0,0|1,0,1]=4 4526 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,2,0,0,0,0|1,0,1]=4 4527 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [0,2,0,0,0,0|1,0,1]=4 4528 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [0,2,0,0,0,0|1,0,1]=4 4529 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [0,2,0,0,0,0|1,0,1]=4 4530 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [0,2,0,0,0,0|1,0,1]=4 4531 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,2,0,0,0,0|1,0,1]=4 4532 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,2,0,0,0,0|1,0,1]=4 4533 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [0,2,0,0,0,0|1,0,1]=4 4534 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [0,2,0,0,0,0|1,0,1]=4 4535 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,2,0,0,0,0|1,0,1]=4 4536 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,2,0,0,0,0|1,0,1]=4 4537 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,2,0,0,0,0|1,0,1]=4 4538 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,2,0,0,0,0|1,0,1]=4 4539 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,2,0,0,0,0|1,0,1]=4 4540 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,2,0,0,0,0|1,0,1]=4 4541 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [0,2,0,0,0,0|1,0,1]=4 4542 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [0,2,0,0,0,0|1,0,1]=4 4543 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [0,2,0,0,0,0|1,0,1]=4 4544 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,2,0,0,0,0|1,0,1]=4 4545 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,2,0,0,0,0|1,0,1]=4 4546 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,2,0,0,0,0|1,0,1]=4 4547 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,2,0,0,0,0|1,0,1]=4 4548 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [0,2,0,0,0,0|1,1,0]=4 4549 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [0,2,0,0,0,0|1,0,1]=4 4550 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [0,2,0,0,0,0|1,0,1]=4 4551 B9R0.45 CC#CCSCCCCF 62a_100000729493_100000748600 [0,2,0,0,0,0|1,0,1]=4 4552 B9R0.45 CC#CCSCCCCF 62a_100000748600_100000729493 [0,2,0,0,0,0|1,0,1]=4 4553 B9R0.45 CC#CCSCCCCO 62a_100000210776_100000748600 [0,2,0,0,0,0|1,0,1]=4 4554 B9R0.45 CC#CCSCCCCO 62a_100000748600_100000210776 [0,2,0,0,0,0|1,0,1]=4 4555 B9R0.45 CC#CCSCCCOC 62a_100000709357_100000748600 [0,2,0,0,0,0|1,0,1]=4 4556 B9R0.45 CC#CCSCCCOC 62a_100000748600_100000709357 [0,2,0,0,0,0|1,0,1]=4 4557 B9R0.45 CC#CCSCCOCC 62a_100000210147_100000748600 [0,2,0,0,0,0|1,0,1]=4 4558 B9R0.45 CC#CCSCCOCC 62a_100000748600_100011215890 [0,2,0,0,0,0|1,0,1]=4 4559 B9R0.45 CC#CCSCCSCC 62a_100000748600_100000757381 [0,2,0,0,0,0|1,0,1]=4 4560 B9R0.45 CC#CCSCCSCC 62a_100000757381_100000748600 [0,2,0,0,0,0|1,0,1]=4 4561 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,2,0,0,0,0|1,1,0]=4 4562 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,2,0,0,0,0|1,1,0]=4 4563 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,2,0,0,0,0|1,1,0]=4 4564 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,2,0,0,0,0|1,0,0]=3 4565 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,2,0,0,0,0|1,0,0]=3 4566 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [0,2,0,0,0,0|2,0,0]=4 4567 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [0,2,0,0,0,0|2,0,0]=4 4568 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,2,0,0,0,0|2,0,0]=4 4569 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,2,0,0,0,0|2,0,0]=4 4570 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [0,2,0,0,0,0|2,0,0]=4 4571 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [0,2,0,0,0,0|2,0,0]=4 4572 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [0,2,0,0,0,0|2,0,0]=4 4573 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [0,2,0,0,0,0|2,0,0]=4 4574 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,2,0,0,0,0|2,0,0]=4 4575 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,2,0,0,0,0|2,0,0]=4 4576 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,2,0,0,0,0|1,1,0]=4 4577 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,2,0,0,0,0|1,1,0]=4 4578 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,2,0,0,0,0|1,1,0]=4 4579 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,2,0,0,0,0|1,0,0]=3 4580 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,2,0,0,0,0|1,0,0]=3 4581 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [0,2,0,0,0,0|1,0,1]=4 4582 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [0,2,0,0,0,0|1,0,1]=4 4583 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,2,0,0,0,0|1,0,1]=4 4584 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,2,0,0,0,0|1,0,1]=4 4585 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [0,2,0,0,0,0|1,0,1]=4 4586 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [0,2,0,0,0,0|1,0,1]=4 4587 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [0,2,0,0,0,0|1,0,1]=4 4588 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [0,2,0,0,0,0|1,0,1]=4 4589 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [0,2,0,0,0,0|1,0,1]=4 4590 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [0,2,0,0,0,0|1,0,1]=4 4591 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,2,0,0,0,0|1,1,0]=4 4592 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,2,0,0,0,0|1,0,1]=4 4593 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,2,0,0,0,0|1,0,1]=4 4594 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [0,2,0,0,0,0|1,0,1]=4 4595 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [0,2,0,0,0,0|1,0,1]=4 4596 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,2,0,0,0,0|1,0,1]=4 4597 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,2,0,0,0,0|1,0,1]=4 4598 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [0,2,0,0,0,0|1,0,1]=4 4599 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [0,2,0,0,0,0|1,0,1]=4 4600 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [0,2,0,0,0,0|1,0,1]=4 4601 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [0,2,0,0,0,0|1,0,1]=4 4602 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [0,2,0,0,0,0|1,0,1]=4 4603 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [0,2,0,0,0,0|1,0,1]=4 4604 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [0,2,0,0,0,0|1,1,0]=4 4605 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [0,2,0,0,0,0|1,1,0]=4 4606 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [0,2,0,0,0,0|2,0,0]=4 4607 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [0,2,0,0,0,0|2,0,0]=4 4608 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [0,2,0,0,0,0|1,1,0]=4 4609 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [0,2,0,0,0,0|1,1,0]=4 4610 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [0,2,0,0,0,0|1,1,0]=4 4611 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [0,2,0,0,0,0|1,0,0]=3 4612 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [0,2,0,0,0,0|1,0,0]=3 4613 B9R0.45 CCC#CCSCCCF 62a_100009813939_100011934791 [0,2,0,0,0,0|1,0,1]=4 4614 B9R0.45 CCC#CCSCCCF 62a_100011934791_100009813939 [0,2,0,0,0,0|1,0,1]=4 4615 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [0,2,0,0,0,0|1,0,1]=4 4616 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [0,2,0,0,0,0|1,0,1]=4 4617 B9R0.45 CCC#CCSCCOC 62a_100000233755_100009813939 [0,2,0,0,0,0|1,0,1]=4 4618 B9R0.45 CCC#CCSCCOC 62a_100009813939_100000233755 [0,2,0,0,0,0|1,0,1]=4 4619 B9R0.45 CCC#CCSCCSC 62a_100000212216_100009813939 [0,2,0,0,0,0|1,0,1]=4 4620 B9R0.45 CCC#CCSCCSC 62a_100009813939_100000751147 [0,2,0,0,0,0|1,0,1]=4 4621 B9R0.45 CCC#CCSCOCC 62a_100000739092_100009813939 [0,2,0,0,0,0|1,0,1]=4 4622 B9R0.45 CCC#CCSCOCC 62a_100009813939_100000739092 [0,2,0,0,0,0|1,0,1]=4 4623 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [0,2,0,0,0,0|1,1,0]=4 4624 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [0,2,0,0,0,0|1,1,0]=4 4625 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [0,2,0,0,0,0|2,0,0]=4 4626 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [0,2,0,0,0,0|2,0,0]=4 4627 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [0,2,0,0,0,0|2,0,0]=4 4628 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [0,2,0,0,0,0|2,0,0]=4 4629 B9R0.45 CCC/C=C/COCSC 34a_100016278788_100011218213 [0,2,0,0,0,0|2,0,0]=4 4630 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [0,2,0,0,0,0|2,0,0]=4 4631 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [0,2,0,0,0,0|2,0,0]=4 4632 B9R0.45 CCCC#CCCOCF 34a_100000042726_100015361967 [0,2,0,0,0,0|2,0,0]=4 4633 B9R0.45 CCCC#CCCOCF 7a_100000042726_100015361967 [0,2,0,0,0,0|2,0,0]=4 4634 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [0,2,0,0,0,0|1,1,0]=4 4635 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [0,2,0,0,0,0|1,1,0]=4 4636 B9R0.45 CCCC#CCOCCF 34a_100000034806_100011217306 [0,2,0,0,0,0|2,0,0]=4 4637 B9R0.45 CCCC#CCOCCF 7a_100000034806_100011217306 [0,2,0,0,0,0|2,0,0]=4 4638 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [0,2,0,0,0,0|2,0,0]=4 4639 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [0,2,0,0,0,0|2,0,0]=4 4640 B9R0.45 CCCC#CCOCSC 34a_100000034806_100011218213 [0,2,0,0,0,0|2,0,0]=4 4641 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [0,2,0,0,0,0|2,0,0]=4 4642 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [0,2,0,0,0,0|2,0,0]=4 4643 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,2,0,0,0,0|2,0,0]=4 4644 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,2,0,0,0,0|2,0,0]=4 4645 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,2,0,0,0,0|2,0,0]=4 4646 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,2,0,0,0,0|2,0,0]=4 4647 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [0,2,0,0,0,0|2,0,0]=4 4648 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [0,2,0,0,0,0|2,0,0]=4 4649 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [0,2,0,0,0,0|2,0,0]=4 4650 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [0,2,0,0,0,0|2,0,0]=4 4651 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [0,2,0,0,0,0|2,0,0]=4 4652 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [0,2,0,0,0,0|2,0,0]=4 4653 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [0,2,0,0,0,0|2,0,0]=4 4654 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [0,2,0,0,0,0|2,0,0]=4 4655 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,2,0,0,0,0|2,0,0]=4 4656 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,2,0,0,0,0|2,0,0]=4 4657 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,2,0,0,0,0|2,0,0]=4 4658 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,2,0,0,0,0|2,0,0]=4 4659 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,2,0,0,0,0|2,0,0]=4 4660 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,2,0,0,0,0|2,0,0]=4 4661 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,2,0,0,0,0|2,0,0]=4 4662 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,2,0,0,0,0|2,0,0]=4 4663 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,2,0,0,0,0|2,0,0]=4 4664 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,2,0,0,0,0|2,0,0]=4 4665 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,2,0,0,0,0|2,0,0]=4 4666 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,2,0,0,0,0|2,0,0]=4 4667 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,2,0,0,0,0|2,0,0]=4 4668 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,2,0,0,0,0|2,0,0]=4 4669 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,2,0,0,0,0|2,0,0]=4 4670 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,2,0,0,0,0|2,0,0]=4 4671 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,2,0,0,0,0|2,0,0]=4 4672 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,2,0,0,0,0|2,0,0]=4 4673 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,2,0,0,0,0|2,0,0]=4 4674 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,2,0,0,0,0|2,0,0]=4 4675 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,2,0,0,0,0|2,0,0]=4 4676 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,2,0,0,0,0|2,0,0]=4 4677 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,2,0,0,0,0|2,0,0]=4 4678 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,2,0,0,0,0|2,0,0]=4 4679 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,2,0,0,0,0|2,0,0]=4 4680 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,2,0,0,0,0|2,0,0]=4 4681 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,2,0,0,0,0|2,0,0]=4 4682 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,2,0,0,0,0|2,0,0]=4 4683 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,2,0,0,0,0|2,0,0]=4 4684 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,2,0,0,0,0|2,0,0]=4 4685 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,2,0,0,0,0|2,0,0]=4 4686 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,2,0,0,0,0|2,0,0]=4 4687 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,2,0,0,0,0|2,0,0]=4 4688 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,2,0,0,0,0|2,0,0]=4 4689 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,2,0,0,0,0|2,0,0]=4 4690 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,2,0,0,0,0|2,0,0]=4 4691 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,2,0,0,0,0|1,1,0]=4 4692 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,2,0,0,0,0|1,1,0]=4 4693 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,2,0,0,0,0|1,1,0]=4 4694 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,2,0,0,0,0|2,0,0]=4 4695 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,2,0,0,0,0|2,0,0]=4 4696 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,2,0,0,0,0|2,0,0]=4 4697 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,2,0,0,0,0|2,0,0]=4 4698 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,2,0,0,0,0|2,0,0]=4 4699 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,2,0,0,0,0|2,0,0]=4 4700 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,2,0,0,0,0|1,0,0]=3 4701 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,2,0,0,0,0|1,0,0]=3 4702 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,2,0,0,0,0|2,0,0]=4 4703 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,2,0,0,0,0|2,0,0]=4 4704 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,2,0,0,0,0|2,0,0]=4 4705 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,2,0,0,0,0|2,0,0]=4 4706 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,2,0,0,0,0|2,0,0]=4 4707 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,2,0,0,0,0|2,0,0]=4 4708 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,2,0,0,0,0|2,0,0]=4 4709 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,2,0,0,0,0|2,0,0]=4 4710 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,2,0,0,0,0|2,0,0]=4 4711 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,2,0,0,0,0|2,0,0]=4 4712 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,2,0,0,0,0|2,0,0]=4 4713 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,2,0,0,0,0|2,0,0]=4 4714 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,2,0,0,0,0|2,0,0]=4 4715 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,2,0,0,0,0|2,0,0]=4 4716 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,2,0,0,0,0|2,0,0]=4 4717 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,2,0,0,0,0|2,0,0]=4 4718 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,2,0,0,0,0|2,0,0]=4 4719 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,2,0,0,0,0|2,0,0]=4 4720 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,2,0,0,0,0|2,0,0]=4 4721 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,2,0,0,0,0|2,0,0]=4 4722 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,2,0,0,0,0|2,0,0]=4 4723 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,2,0,0,0,0|1,1,0]=4 4724 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,2,0,0,0,0|1,1,0]=4 4725 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,2,0,0,0,0|1,1,0]=4 4726 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,2,0,0,0,0|1,1,0]=4 4727 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,2,0,0,0,0|1,1,0]=4 4728 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,2,0,0,0,0|1,1,0]=4 4729 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,2,0,0,0,0|1,1,0]=4 4730 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,2,0,0,0,0|1,1,0]=4 4731 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,2,0,0,0,0|1,1,0]=4 4732 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,2,0,0,0,0|1,1,0]=4 4733 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,2,0,0,0,0|1,1,0]=4 4734 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,2,0,0,0,0|1,1,0]=4 4735 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,2,0,0,0,0|1,1,0]=4 4736 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,2,0,0,0,0|1,1,0]=4 4737 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,2,0,0,0,0|1,1,0]=4 4738 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,2,0,0,0,0|1,1,0]=4 4739 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,2,0,0,0,0|1,1,0]=4 4740 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,2,0,0,0,0|1,1,0]=4 4741 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,2,0,0,0,0|1,1,0]=4 4742 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,2,0,0,0,0|1,1,0]=4 4743 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,2,0,0,0,0|1,1,0]=4 4744 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,2,0,0,0,0|1,1,0]=4 4745 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,2,0,0,0,0|1,1,0]=4 4746 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [0,2,0,0,0,0|1,0,1]=4 4747 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [0,2,0,0,0,0|1,0,1]=4 4748 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,2,0,0,0,0|1,0,0]=3 4749 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,2,0,0,0,0|1,0,0]=3 4750 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,2,0,0,0,0|1,0,0]=3 4751 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,2,0,0,0,0|1,0,0]=3 4752 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,2,0,0,0,0|1,0,0]=3 4753 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,2,0,0,0,0|1,0,0]=3 4754 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,2,0,0,0,0|1,0,0]=3 4755 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,2,0,0,0,0|1,0,0]=3 4756 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,2,0,0,0,0|1,0,0]=3 4757 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,2,0,0,0,0|1,0,0]=3 4758 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,2,0,0,0,0|1,0,0]=3 4759 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,2,0,0,0,0|1,0,0]=3 4760 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [0,2,0,0,0,0|2,0,0]=4 4761 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [0,2,0,0,0,0|2,0,0]=4 4762 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,2,0,0,0,0|2,0,0]=4 4763 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,2,0,0,0,0|2,0,0]=4 4764 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,2,0,0,0,0|2,0,0]=4 4765 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,2,0,0,0,0|2,0,0]=4 4766 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,2,0,0,0,0|2,0,0]=4 4767 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,2,0,0,0,0|2,0,0]=4 4768 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,2,0,0,0,0|2,0,0]=4 4769 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,2,0,0,0,0|2,0,0]=4 4770 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,2,0,0,0,0|2,0,0]=4 4771 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,2,0,0,0,0|2,0,0]=4 4772 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,2,0,0,0,0|2,0,0]=4 4773 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,2,0,0,0,0|2,0,0]=4 4774 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,2,0,0,0,0|2,0,0]=4 4775 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,2,0,0,0,0|2,0,0]=4 4776 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,2,0,0,0,0|2,0,0]=4 4777 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,2,0,0,0,0|2,0,0]=4 4778 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,2,0,0,0,0|2,0,0]=4 4779 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,2,0,0,0,0|2,0,0]=4 4780 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,2,0,0,0,0|2,0,0]=4 4781 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [0,2,0,0,0,0|1,1,0]=4 4782 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,2,0,0,0,0|1,1,0]=4 4783 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,2,0,0,0,0|1,1,0]=4 4784 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,2,0,0,0,0|1,1,0]=4 4785 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,2,0,0,0,0|1,1,0]=4 4786 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,2,0,0,0,0|1,1,0]=4 4787 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,2,0,0,0,0|1,1,0]=4 4788 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,2,0,0,0,0|1,1,0]=4 4789 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,2,0,0,0,0|1,1,0]=4 4790 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,2,0,0,0,0|1,1,0]=4 4791 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,2,0,0,0,0|1,1,0]=4 4792 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,2,0,0,0,0|1,1,0]=4 4793 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,2,0,0,0,0|1,1,0]=4 4794 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [0,2,0,0,0,0|1,1,0]=4 4795 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [0,2,0,0,0,0|1,1,0]=4 4796 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [0,2,0,0,0,0|1,1,0]=4 4797 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [0,2,0,0,0,0|1,1,0]=4 4798 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [0,2,0,0,0,0|1,1,0]=4 4799 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,2,0,0,0,0|1,1,0]=4 4800 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,2,0,0,0,0|1,1,0]=4 4801 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,2,0,0,0,0|1,1,0]=4 4802 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,2,0,0,0,0|1,1,0]=4 4803 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,2,0,0,0,0|1,1,0]=4 4804 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,2,0,0,0,0|1,1,0]=4 4805 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,2,0,0,0,0|1,1,0]=4 4806 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,2,0,0,0,0|1,1,0]=4 4807 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,2,0,0,0,0|1,1,0]=4 4808 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,2,0,0,0,0|1,1,0]=4 4809 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,2,0,0,0,0|1,1,0]=4 4810 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,2,0,0,0,0|1,1,0]=4 4811 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,2,0,0,0,0|1,1,0]=4 4812 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,2,0,0,0,0|1,1,0]=4 4813 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,2,0,0,0,0|1,1,0]=4 4814 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,2,0,0,0,0|1,1,0]=4 4815 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,2,0,0,0,0|1,1,0]=4 4816 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,2,0,0,0,0|1,1,0]=4 4817 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,2,0,0,0,0|1,1,0]=4 4818 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,2,0,0,0,0|1,1,0]=4 4819 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,2,0,0,0,0|1,1,0]=4 4820 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,2,0,0,0,0|1,1,0]=4 4821 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,2,0,0,0,0|1,1,0]=4 4822 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,2,0,0,0,0|1,1,0]=4 4823 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,2,0,0,0,0|1,1,0]=4 4824 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [0,2,0,0,0,0|1,1,0]=4 4825 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [0,2,0,0,0,0|1,1,0]=4 4826 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [0,2,0,0,0,0|1,1,0]=4 4827 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,2,0,0,0,0|1,1,0]=4 4828 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,2,0,0,0,0|1,1,0]=4 4829 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,2,0,0,0,0|1,1,0]=4 4830 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,2,0,0,0,0|0,2,0]=4 4831 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,2,0,0,0,0|1,1,0]=4 4832 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [0,2,0,0,0,0|0,1,0]=3 4833 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [0,2,0,0,0,0|0,1,0]=3 4834 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [0,2,0,0,0,0|1,1,0]=4 4835 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [0,2,0,0,0,0|1,1,0]=4 4836 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,2,0,0,0,0|1,1,0]=4 4837 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,2,0,0,0,0|1,1,0]=4 4838 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [0,2,0,0,0,0|1,1,0]=4 4839 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [0,2,0,0,0,0|1,1,0]=4 4840 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [0,2,0,0,0,0|1,1,0]=4 4841 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [0,2,0,0,0,0|1,1,0]=4 4842 B9R0.45 CCCCSCC#CCO 62a_100000210211_200000047223 [0,2,0,0,0,0|1,0,1]=4 4843 B9R0.45 CCCCSCC#CCO 62a_200000047223_100000210210 [0,2,0,0,0,0|1,0,1]=4 4844 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [0,2,0,0,0,0|1,0,0]=3 4845 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [0,2,0,0,0,0|1,0,0]=3 4846 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,2,0,0,0,0|1,0,0]=3 4847 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,2,0,0,0,0|1,0,0]=3 4848 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,2,0,0,0,0|1,0,0]=3 4849 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,2,0,0,0,0|1,0,0]=3 4850 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,2,0,0,0,0|1,0,0]=3 4851 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,2,0,0,0,0|1,0,0]=3 4852 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,2,0,0,0,0|1,0,0]=3 4853 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,2,0,0,0,0|1,0,0]=3 4854 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,2,0,0,0,0|1,0,0]=3 4855 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,2,0,0,0,0|1,0,0]=3 4856 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,2,0,0,0,0|1,0,0]=3 4857 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,2,0,0,0,0|1,0,0]=3 4858 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,2,0,0,0,0|1,0,0]=3 4859 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,2,0,0,0,0|1,0,0]=3 4860 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,2,0,0,0,0|1,0,0]=3 4861 B9R0.45 CCCCSCCSC#N 62a_100000034367_100000210210 [0,2,0,0,0,0|1,0,1]=4 4862 B9R0.45 CCCCSCCSC#N 62a_100000210211_100000034367 [0,2,0,0,0,0|1,0,1]=4 4863 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,2,0,0,0,0|1,0,0]=3 4864 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,2,0,0,0,0|1,0,0]=3 4865 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,2,0,0,0,0|2,0,0]=4 4866 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,2,0,0,0,0|2,0,0]=4 4867 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,2,0,0,0,0|2,0,0]=4 4868 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,2,0,0,0,0|2,0,0]=4 4869 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,2,0,0,0,0|1,1,0]=4 4870 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,2,0,0,0,0|1,1,0]=4 4871 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,2,0,0,0,0|2,0,0]=4 4872 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,2,0,0,0,0|2,0,0]=4 4873 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [0,2,0,0,0,0|1,0,0]=3 4874 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,2,0,0,0,0|2,0,0]=4 4875 B9R0.45 CCCNN=CCCSC 4a_100000740057_100000210997 [0,2,0,0,0,0|2,0,0]=4 4876 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,2,0,0,0,0|1,1,0]=4 4877 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,2,0,0,0,0|1,1,0]=4 4878 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,2,0,0,0,0|1,1,0]=4 4879 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,2,0,0,0,0|1,1,0]=4 4880 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,2,0,0,0,0|1,1,0]=4 4881 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,2,0,0,0,0|1,1,0]=4 4882 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,2,0,0,0,0|1,1,0]=4 4883 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,2,0,0,0,0|1,1,0]=4 4884 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,2,0,0,0,0|1,1,0]=4 4885 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,2,0,0,0,0|1,1,0]=4 4886 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,2,0,0,0,0|1,1,0]=4 4887 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,2,0,0,0,0|1,1,0]=4 4888 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,2,0,0,0,0|1,1,0]=4 4889 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,2,0,0,0,0|1,1,0]=4 4890 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,2,0,0,0,0|1,1,0]=4 4891 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,2,0,0,0,0|1,1,0]=4 4892 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,2,0,0,0,0|1,1,0]=4 4893 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,2,0,0,0,0|1,1,0]=4 4894 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,2,0,0,0,0|1,1,0]=4 4895 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,2,0,0,0,0|1,1,0]=4 4896 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,2,0,0,0,0|1,1,0]=4 4897 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [0,2,0,0,0,0|1,1,0]=4 4898 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [0,2,0,0,0,0|1,1,0]=4 4899 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [0,2,0,0,0,0|1,1,0]=4 4900 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,2,0,0,0,0|1,1,0]=4 4901 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,2,0,0,0,0|1,1,0]=4 4902 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,2,0,0,0,0|1,1,0]=4 4903 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,2,0,0,0,0|1,1,0]=4 4904 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [0,2,0,0,0,0|1,1,0]=4 4905 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [0,2,0,0,0,0|1,1,0]=4 4906 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [0,2,0,0,0,0|1,1,0]=4 4907 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,2,0,0,0,0|1,1,0]=4 4908 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,2,0,0,0,0|1,1,0]=4 4909 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,2,0,0,0,0|1,1,0]=4 4910 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,2,0,0,0,0|0,2,0]=4 4911 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,2,0,0,0,0|0,2,0]=4 4912 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,2,0,0,0,0|0,2,0]=4 4913 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,2,0,0,0,0|1,1,0]=4 4914 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,2,0,0,0,0|1,1,0]=4 4915 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,2,0,0,0,0|1,1,0]=4 4916 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,2,0,0,0,0|1,1,0]=4 4917 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,2,0,0,0,0|1,1,0]=4 4918 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,2,0,0,0,0|1,1,0]=4 4919 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,2,0,0,0,0|1,1,0]=4 4920 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,2,0,0,0,0|1,1,0]=4 4921 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,2,0,0,0,0|1,1,0]=4 4922 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,2,0,0,0,0|1,1,0]=4 4923 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,2,0,0,0,0|1,1,0]=4 4924 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,2,0,0,0,0|1,1,0]=4 4925 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,2,0,0,0,0|1,1,0]=4 4926 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [0,2,0,0,0,0|1,1,0]=4 4927 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,2,0,0,0,0|0,1,0]=3 4928 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,2,0,0,0,0|0,1,0]=3 4929 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,2,0,0,0,0|0,1,0]=3 4930 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,2,0,0,0,0|0,1,0]=3 4931 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [0,2,0,0,0,0|1,1,0]=4 4932 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [0,2,0,0,0,0|1,1,0]=4 4933 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,2,0,0,0,0|1,1,0]=4 4934 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,2,0,0,0,0|1,1,0]=4 4935 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [0,2,0,0,0,0|1,1,0]=4 4936 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [0,2,0,0,0,0|1,1,0]=4 4937 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [0,2,0,0,0,0|1,1,0]=4 4938 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [0,2,0,0,0,0|1,1,0]=4 4939 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [0,2,0,0,0,0|1,0,0]=3 4940 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [0,2,0,0,0,0|1,0,0]=3 4941 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,2,0,0,0,0|1,0,0]=3 4942 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,2,0,0,0,0|1,0,0]=3 4943 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,2,0,0,0,0|1,0,0]=3 4944 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,2,0,0,0,0|1,0,0]=3 4945 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,2,0,0,0,0|1,0,0]=3 4946 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,2,0,0,0,0|1,0,0]=3 4947 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,2,0,0,0,0|1,0,0]=3 4948 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,2,0,0,0,0|1,0,0]=3 4949 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,2,0,0,0,0|1,0,0]=3 4950 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,2,0,0,0,0|1,0,0]=3 4951 B9R0.45 CCCSCCNCC#N 2230a_100020603323_100011215382 [0,2,0,0,0,0|1,0,1]=4 4952 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,2,0,0,0,0|1,0,1]=4 4953 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [0,2,0,0,0,0|1,0,0]=3 4954 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,2,0,0,0,0|1,0,0]=3 4955 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [0,2,0,0,0,0|1,0,0]=3 4956 B9R0.45 CCCSCCNCSC 2230a_100020603323_100011218213 [0,2,0,0,0,0|1,0,0]=3 4957 B9R0.45 CCCSCCOCC#N 62a_100000210303_200000047693 [0,2,0,0,0,0|1,0,1]=4 4958 B9R0.45 CCCSCCOCC#N 62a_200000047693_100000210303 [0,2,0,0,0,0|1,0,1]=4 4959 B9R0.45 CCCSCCOCC#N 7a_200000230433_100011215382 [0,2,0,0,0,0|1,0,1]=4 4960 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,2,0,0,0,0|1,0,1]=4 4961 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,2,0,0,0,0|1,0,1]=4 4962 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,2,0,0,0,0|1,0,0]=3 4963 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,2,0,0,0,0|1,0,0]=3 4964 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,2,0,0,0,0|1,0,0]=3 4965 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,2,0,0,0,0|1,0,0]=3 4966 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,2,0,0,0,0|1,0,0]=3 4967 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,2,0,0,0,0|1,0,0]=3 4968 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [0,2,0,0,0,0|1,0,0]=3 4969 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [0,2,0,0,0,0|0,1,0]=3 4970 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [0,2,0,0,0,0|0,1,0]=3 4971 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,2,0,0,0,0|2,0,0]=4 4972 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,2,0,0,0,0|2,0,0]=4 4973 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,2,0,0,0,0|2,0,0]=4 4974 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,2,0,0,0,0|2,0,0]=4 4975 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,2,0,0,0,0|2,0,0]=4 4976 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,2,0,0,0,0|2,0,0]=4 4977 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [0,2,0,0,0,0|1,1,0]=4 4978 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [0,2,0,0,0,0|1,1,0]=4 4979 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [0,2,0,0,0,0|1,1,0]=4 4980 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,2,0,0,0,0|2,0,0]=4 4981 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,2,0,0,0,0|2,0,0]=4 4982 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,2,0,0,0,0|2,0,0]=4 4983 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,2,0,0,0,0|2,0,0]=4 4984 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,2,0,0,0,0|2,0,0]=4 4985 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,2,0,0,0,0|2,0,0]=4 4986 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,2,0,0,0,0|2,0,0]=4 4987 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,2,0,0,0,0|2,0,0]=4 4988 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,2,0,0,0,0|2,0,0]=4 4989 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,2,0,0,0,0|2,0,0]=4 4990 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,2,0,0,0,0|2,0,0]=4 4991 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,2,0,0,0,0|2,0,0]=4 4992 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,2,0,0,0,0|2,0,0]=4 4993 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,2,0,0,0,0|2,0,0]=4 4994 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [0,2,0,0,0,0|2,0,0]=4 4995 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [0,2,0,0,0,0|2,0,0]=4 4996 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [0,2,0,0,0,0|2,0,0]=4 4997 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [0,2,0,0,0,0|2,0,0]=4 4998 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [0,2,0,0,0,0|2,0,0]=4 4999 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [0,2,0,0,0,0|2,0,0]=4 5000 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [0,2,0,0,0,0|2,0,0]=4 5001 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [0,2,0,0,0,0|2,0,0]=4 5002 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,2,0,0,0,0|2,0,0]=4 5003 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,2,0,0,0,0|2,0,0]=4 5004 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [0,2,0,0,0,0|2,0,0]=4 5005 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [0,2,0,0,0,0|2,0,0]=4 5006 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [0,2,0,0,0,0|2,0,0]=4 5007 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [0,2,0,0,0,0|2,0,0]=4 5008 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [0,2,0,0,0,0|2,0,0]=4 5009 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [0,2,0,0,0,0|2,0,0]=4 5010 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [0,2,0,0,0,0|1,1,0]=4 5011 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [0,2,0,0,0,0|1,1,0]=4 5012 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [0,2,0,0,0,0|1,1,0]=4 5013 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [0,2,0,0,0,0|1,1,0]=4 5014 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [0,2,0,0,0,0|1,1,0]=4 5015 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [0,2,0,0,0,0|1,1,0]=4 5016 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,2,0,0,0,0|1,1,0]=4 5017 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,2,0,0,0,0|1,1,0]=4 5018 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [0,2,0,0,0,0|1,1,0]=4 5019 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [0,2,0,0,0,0|1,1,0]=4 5020 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [0,2,0,0,0,0|1,1,0]=4 5021 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [0,2,0,0,0,0|1,1,0]=4 5022 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [0,2,0,0,0,0|1,1,0]=4 5023 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [0,2,0,0,0,0|1,1,0]=4 5024 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [0,2,0,0,0,0|1,1,0]=4 5025 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [0,2,0,0,0,0|1,1,0]=4 5026 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [0,2,0,0,0,0|1,1,0]=4 5027 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [0,2,0,0,0,0|1,1,0]=4 5028 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [0,2,0,0,0,0|1,1,0]=4 5029 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [0,2,0,0,0,0|1,1,0]=4 5030 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [0,2,0,0,0,0|1,1,0]=4 5031 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [0,2,0,0,0,0|1,1,0]=4 5032 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [0,2,0,0,0,0|1,1,0]=4 5033 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [0,2,0,0,0,0|1,1,0]=4 5034 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [0,2,0,0,0,0|1,1,0]=4 5035 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [0,2,0,0,0,0|1,1,0]=4 5036 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [0,2,0,0,0,0|1,1,0]=4 5037 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [0,2,0,0,0,0|1,1,0]=4 5038 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [0,2,0,0,0,0|1,1,0]=4 5039 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [0,2,0,0,0,0|1,1,0]=4 5040 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [0,2,0,0,0,0|1,1,0]=4 5041 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [0,2,0,0,0,0|1,1,0]=4 5042 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [0,2,0,0,0,0|1,1,0]=4 5043 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [0,2,0,0,0,0|1,1,0]=4 5044 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [0,2,0,0,0,0|1,1,0]=4 5045 B9R0.45 CCOCCSCCC#N 62a_100000210147_100011215226 [0,2,0,0,0,0|1,0,1]=4 5046 B9R0.45 CCOCCSCCC#N 62a_100011215226_100011215890 [0,2,0,0,0,0|1,0,1]=4 5047 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,2,0,0,0,0|1,0,0]=3 5048 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,2,0,0,0,0|1,0,0]=3 5049 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,2,0,0,0,0|1,0,0]=3 5050 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,2,0,0,0,0|1,0,0]=3 5051 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,2,0,0,0,0|1,0,0]=3 5052 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,2,0,0,0,0|1,0,0]=3 5053 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [0,2,0,0,0,0|1,0,0]=3 5054 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [0,2,0,0,0,0|1,0,0]=3 5055 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [0,2,0,0,0,0|1,0,0]=3 5056 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [0,2,0,0,0,0|1,0,0]=3 5057 B9R0.45 CCOCSCCCC#N 62a_100000687738_100000739092 [0,2,0,0,0,0|1,0,1]=4 5058 B9R0.45 CCOCSCCCC#N 62a_100000739092_100000687738 [0,2,0,0,0,0|1,0,1]=4 5059 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,2,0,0,0,0|1,0,1]=4 5060 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,2,0,0,0,0|1,0,1]=4 5061 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [0,2,0,0,0,0|1,0,0]=3 5062 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [0,2,0,0,0,0|1,0,0]=3 5063 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,2,0,0,0,0|1,0,0]=3 5064 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,2,0,0,0,0|1,0,0]=3 5065 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [0,2,0,0,0,0|1,0,0]=3 5066 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [0,2,0,0,0,0|1,0,0]=3 5067 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [0,2,0,0,0,0|1,0,0]=3 5068 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [0,2,0,0,0,0|1,0,0]=3 5069 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,2,0,0,0,0|2,0,0]=4 5070 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,2,0,0,0,0|2,0,0]=4 5071 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,2,0,0,0,0|2,0,0]=4 5072 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,2,0,0,0,0|2,0,0]=4 5073 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [0,2,0,0,0,0|2,0,0]=4 5074 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [0,2,0,0,0,0|2,0,0]=4 5075 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [0,2,0,0,0,0|2,0,0]=4 5076 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [0,2,0,0,0,0|2,0,0]=4 5077 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [0,2,0,0,0,0|2,0,0]=4 5078 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [0,2,0,0,0,0|2,0,0]=4 5079 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [0,2,0,0,0,0|2,0,0]=4 5080 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [0,2,0,0,0,0|2,0,0]=4 5081 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [0,2,0,0,0,0|1,1,0]=4 5082 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [0,2,0,0,0,0|1,1,0]=4 5083 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [0,2,0,0,0,0|1,1,0]=4 5084 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [0,2,0,0,0,0|1,1,0]=4 5085 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [0,2,0,0,0,0|1,1,0]=4 5086 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [0,2,0,0,0,0|1,1,0]=4 5087 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,2,0,0,0,0|1,1,0]=4 5088 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,2,0,0,0,0|1,1,0]=4 5089 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [0,2,0,0,0,0|1,1,0]=4 5090 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [0,2,0,0,0,0|1,1,0]=4 5091 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [0,2,0,0,0,0|1,1,0]=4 5092 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [0,2,0,0,0,0|1,1,0]=4 5093 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [0,2,0,0,0,0|1,1,0]=4 5094 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [0,2,0,0,0,0|1,1,0]=4 5095 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [0,2,0,0,0,0|1,1,0]=4 5096 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [0,2,0,0,0,0|1,1,0]=4 5097 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [0,2,0,0,0,0|1,1,0]=4 5098 B9R0.45 CCSCCSCCC#N 62a_100000757381_100011215226 [0,2,0,0,0,0|1,0,1]=4 5099 B9R0.45 CCSCCSCCC#N 62a_100011215226_100000757381 [0,2,0,0,0,0|1,0,1]=4 5100 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [0,2,0,0,0,0|1,0,0]=3 5101 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [0,2,0,0,0,0|1,0,0]=3 5102 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,2,0,0,0,0|1,0,0]=3 5103 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,2,0,0,0,0|1,0,0]=3 5104 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [0,2,0,0,0,0|1,0,0]=3 5105 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [0,2,0,0,0,0|1,0,0]=3 5106 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [0,2,0,0,0,0|1,0,0]=3 5107 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [0,2,0,0,0,0|1,0,0]=3 5108 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,2,0,0,0,0|2,0,0]=4 5109 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,2,0,0,0,0|2,0,0]=4 5110 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,2,0,0,0,0|2,0,0]=4 5111 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,2,0,0,0,0|2,0,0]=4 5112 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,2,0,0,0,0|2,0,0]=4 5113 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,2,0,0,0,0|2,0,0]=4 5114 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,2,0,0,0,0|2,0,0]=4 5115 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,2,0,0,0,0|2,0,0]=4 5116 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [0,2,0,0,0,0|1,1,0]=4 5117 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,2,0,0,0,0|1,1,0]=4 5118 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,2,0,0,0,0|1,1,0]=4 5119 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,2,0,0,0,0|1,1,0]=4 5120 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [0,2,0,0,0,0|1,1,0]=4 5121 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [0,2,0,0,0,0|1,1,0]=4 5122 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [0,2,0,0,0,0|1,1,0]=4 5123 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [0,2,0,0,0,0|1,1,0]=4 5124 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [0,2,0,0,0,0|1,1,0]=4 5125 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [0,2,0,0,0,0|1,1,0]=4 5126 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [0,2,0,0,0,0|1,1,0]=4 5127 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,2,0,0,0,0|2,0,0]=4 5128 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,2,0,0,0,0|2,0,0]=4 5129 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,2,0,0,0,0|2,0,0]=4 5130 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,2,0,0,0,0|2,0,0]=4 5131 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,2,0,0,0,0|2,0,0]=4 5132 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,2,0,0,0,0|2,0,0]=4 5133 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,2,0,0,0,0|2,0,0]=4 5134 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,2,0,0,0,0|2,0,0]=4 5135 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,2,0,0,0,0|2,0,0]=4 5136 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,2,0,0,0,0|2,0,0]=4 5137 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,2,0,0,0,0|2,0,0]=4 5138 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,2,0,0,0,0|2,0,0]=4 5139 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,2,0,0,0,0|2,0,0]=4 5140 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,2,0,0,0,0|2,0,0]=4 5141 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,2,0,0,0,0|2,0,0]=4 5142 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,2,0,0,0,0|2,0,0]=4 5143 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,2,0,0,0,0|2,0,0]=4 5144 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [0,2,0,0,0,0|2,0,0]=4 5145 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [0,2,0,0,0,0|2,0,0]=4 5146 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [0,2,0,0,0,0|2,0,0]=4 5147 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [0,2,0,0,0,0|2,0,0]=4 5148 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [0,2,0,0,0,0|2,0,0]=4 5149 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [0,2,0,0,0,0|2,0,0]=4 5150 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [0,2,0,0,0,0|2,0,0]=4 5151 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,2,0,0,0,0|2,0,0]=4 5152 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [0,2,0,0,0,0|2,0,0]=4 5153 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [0,2,0,0,0,0|2,0,0]=4 5154 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [0,2,0,0,0,0|2,0,0]=4 5155 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [0,2,0,0,0,0|2,0,0]=4 5156 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [0,2,0,0,0,0|1,1,0]=4 5157 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [0,2,0,0,0,0|1,1,0]=4 5158 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [0,2,0,0,0,0|1,1,0]=4 5159 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [0,2,0,0,0,0|1,1,0]=4 5160 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [0,2,0,0,0,0|1,1,0]=4 5161 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [0,2,0,0,0,0|1,1,0]=4 5162 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,2,0,0,0,0|1,1,0]=4 5163 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [0,2,0,0,0,0|1,1,0]=4 5164 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [0,2,0,0,0,0|1,1,0]=4 5165 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [0,2,0,0,0,0|1,1,0]=4 5166 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [0,2,0,0,0,0|1,1,0]=4 5167 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [0,2,0,0,0,0|1,1,0]=4 5168 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [0,2,0,0,0,0|1,1,0]=4 5169 B9R0.45 COCCCSCCC#N 62a_100000709357_100011215226 [0,2,0,0,0,0|1,0,1]=4 5170 B9R0.45 COCCCSCCC#N 62a_100011215226_100000709357 [0,2,0,0,0,0|1,0,1]=4 5171 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [0,2,0,0,0,0|1,0,0]=3 5172 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [0,2,0,0,0,0|1,0,0]=3 5173 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,2,0,0,0,0|1,0,0]=3 5174 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,2,0,0,0,0|1,0,0]=3 5175 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [0,2,0,0,0,0|1,0,0]=3 5176 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [0,2,0,0,0,0|1,0,0]=3 5177 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [0,2,0,0,0,0|1,0,0]=3 5178 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [0,2,0,0,0,0|1,0,0]=3 5179 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [0,2,0,0,0,0|2,0,0]=4 5180 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,2,0,0,0,0|2,0,0]=4 5181 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,2,0,0,0,0|2,0,0]=4 5182 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,2,0,0,0,0|2,0,0]=4 5183 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [0,2,0,0,0,0|2,0,0]=4 5184 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [0,2,0,0,0,0|1,1,0]=4 5185 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [0,2,0,0,0,0|1,1,0]=4 5186 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [0,2,0,0,0,0|1,1,0]=4 5187 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [0,2,0,0,0,0|1,1,0]=4 5188 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [0,2,0,0,0,0|1,1,0]=4 5189 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [0,2,0,0,0,0|1,1,0]=4 5190 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [0,2,0,0,0,0|1,1,0]=4 5191 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [0,2,0,0,0,0|1,1,0]=4 5192 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,2,0,0,0,0|1,1,0]=4 5193 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [0,2,0,0,0,0|1,1,0]=4 5194 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [0,2,0,0,0,0|1,1,0]=4 5195 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [0,2,0,0,0,0|1,1,0]=4 5196 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [0,2,0,0,0,0|1,1,0]=4 5197 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [0,2,0,0,0,0|1,1,0]=4 5198 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [0,2,0,0,0,0|1,1,0]=4 5199 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [0,2,0,0,0,0|1,1,0]=4 5200 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [0,2,0,0,0,0|1,1,0]=4 5201 B9R0.45 COCCOCSCCF 62a_100000231047_100011217306 [0,2,0,0,0,0|1,1,0]=4 5202 B9R0.45 COCCOCSCCF 62a_100011217306_100000231047 [0,2,0,0,0,0|1,1,0]=4 5203 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [0,2,0,0,0,0|1,1,0]=4 5204 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [0,2,0,0,0,0|1,1,0]=4 5205 B9R0.45 COCCOCSCOC 62a_100000231047_100000766300 [0,2,0,0,0,0|1,1,0]=4 5206 B9R0.45 COCCOCSCOC 62a_100000766300_100000231047 [0,2,0,0,0,0|1,1,0]=4 5207 B9R0.45 COCCOCSCSC 62a_100000231047_100011218213 [0,2,0,0,0,0|1,1,0]=4 5208 B9R0.45 COCCOCSCSC 62a_100011218213_100000231047 [0,2,0,0,0,0|1,1,0]=4 5209 B9R0.45 COCCSCCCC#N 62a_100000233755_100000687738 [0,2,0,0,0,0|1,0,1]=4 5210 B9R0.45 COCCSCCCC#N 62a_100000687738_100000233755 [0,2,0,0,0,0|1,0,1]=4 5211 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,2,0,0,0,0|1,0,1]=4 5212 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,2,0,0,0,0|1,0,1]=4 5213 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [0,2,0,0,0,0|1,0,0]=3 5214 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [0,2,0,0,0,0|1,0,0]=3 5215 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,2,0,0,0,0|1,0,0]=3 5216 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,2,0,0,0,0|1,0,0]=3 5217 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [0,2,0,0,0,0|2,0,0]=4 5218 B9R0.45 COCSCCCCC#N 62a_100000766300_100000211819 [0,2,0,0,0,0|2,0,0]=4 5219 B9R0.45 COCSCCCCC#N 62a_100011219923_100000766300 [0,2,0,0,0,0|2,0,0]=4 5220 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,2,0,0,0,0|2,0,0]=4 5221 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,2,0,0,0,0|2,0,0]=4 5222 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [0,2,0,0,0,0|2,0,0]=4 5223 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [0,2,0,0,0,0|2,0,0]=4 5224 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,2,0,0,0,0|2,0,0]=4 5225 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,2,0,0,0,0|2,0,0]=4 5226 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [0,2,0,0,0,0|2,0,0]=4 5227 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [0,2,0,0,0,0|2,0,0]=4 5228 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,2,0,0,0,0|2,0,0]=4 5229 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,2,0,0,0,0|2,0,0]=4 5230 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [0,2,0,0,0,0|2,0,0]=4 5231 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,2,0,0,0,0|2,0,0]=4 5232 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [0,2,0,0,0,0|2,0,0]=4 5233 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [0,2,0,0,0,0|1,1,0]=4 5234 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [0,2,0,0,0,0|1,1,0]=4 5235 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,2,0,0,0,0|1,1,0]=4 5236 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,2,0,0,0,0|1,1,0]=4 5237 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [0,2,0,0,0,0|1,1,0]=4 5238 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [0,2,0,0,0,0|1,1,0]=4 5239 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [0,2,0,0,0,0|2,0,0]=4 5240 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,2,0,0,0,0|2,0,0]=4 5241 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,2,0,0,0,0|2,0,0]=4 5242 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,2,0,0,0,0|2,0,0]=4 5243 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [0,2,0,0,0,0|1,1,0]=4 5244 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [0,2,0,0,0,0|1,1,0]=4 5245 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [0,2,0,0,0,0|1,1,0]=4 5246 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [0,2,0,0,0,0|1,1,0]=4 5247 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [0,2,0,0,0,0|1,1,0]=4 5248 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [0,2,0,0,0,0|1,1,0]=4 5249 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [0,2,0,0,0,0|1,1,0]=4 5250 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [0,2,0,0,0,0|1,1,0]=4 5251 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [0,2,0,0,0,0|1,1,0]=4 5252 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,2,0,0,0,0|1,1,0]=4 5253 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,2,0,0,0,0|1,1,0]=4 5254 B9R0.45 CSCCSCCCC#N 62a_100000212216_100000687738 [0,2,0,0,0,0|1,0,1]=4 5255 B9R0.45 CSCCSCCCC#N 62a_100000687738_100000751147 [0,2,0,0,0,0|1,0,1]=4 5256 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,2,0,0,0,0|1,0,1]=4 5257 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,2,0,0,0,0|1,0,1]=4 5258 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [0,2,0,0,0,0|1,0,0]=3 5259 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [0,2,0,0,0,0|1,0,0]=3 5260 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,2,0,0,0,0|1,0,0]=3 5261 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,2,0,0,0,0|1,0,0]=3 5262 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [0,2,0,0,0,0|2,0,0]=4 5263 B9R0.45 CSCSCCCCC#N 62a_100011218213_100000211819 [0,2,0,0,0,0|2,0,0]=4 5264 B9R0.45 CSCSCCCCC#N 62a_100011219923_100011218213 [0,2,0,0,0,0|2,0,0]=4 5265 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,2,0,0,0,0|2,0,0]=4 5266 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,2,0,0,0,0|2,0,0]=4 5267 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [0,2,0,0,0,0|2,0,0]=4 5268 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [0,2,0,0,0,0|2,0,0]=4 5269 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,2,0,0,0,0|2,0,0]=4 5270 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,2,0,0,0,0|2,0,0]=4 5271 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [0,2,0,0,0,0|2,0,0]=4 5272 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [0,2,0,0,0,0|2,0,0]=4 5273 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [0,2,0,0,0,0|2,0,0]=4 5274 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [0,2,0,0,0,0|2,0,0]=4 5275 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [0,2,0,0,0,0|2,0,0]=4 5276 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [0,2,0,0,0,0|2,0,0]=4 5277 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [0,2,0,0,0,0|1,1,0]=4 5278 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [0,2,0,0,0,0|1,1,0]=4 5279 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [0,2,0,0,0,0|1,1,0]=4 5280 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [0,2,0,0,0,0|1,1,0]=4 5281 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [0,2,0,0,0,0|1,1,0]=4 5282 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [0,2,0,0,0,0|1,0,0]=3 5283 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [0,2,0,0,0,0|1,0,0]=3 5284 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [0,2,0,0,0,0|1,1,0]=4 5285 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [0,2,0,0,0,0|1,1,0]=4 5286 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [0,2,0,0,0,0|1,1,0]=4 5287 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [0,2,0,0,0,0|1,1,0]=4 5288 B9R0.45 N#CCCCCSCCF 62a_100011217306_100000211819 [0,2,0,0,0,0|2,0,0]=4 5289 B9R0.45 N#CCCCCSCCF 62a_100011219923_100011217306 [0,2,0,0,0,0|2,0,0]=4 5290 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [0,2,0,0,0,0|2,0,0]=4 5291 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [0,2,0,0,0,0|2,0,0]=4 5292 B9R0.45 N#CCCCSCCCF 62a_100000687738_100011934791 [0,2,0,0,0,0|1,0,1]=4 5293 B9R0.45 N#CCCCSCCCF 62a_100011934791_100000687738 [0,2,0,0,0,0|1,0,1]=4 5294 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [0,2,0,0,0,0|1,0,1]=4 5295 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [0,2,0,0,0,0|1,0,1]=4 5296 B9R0.45 N#CCCSCCCCF 62a_100000729493_100011215226 [0,2,0,0,0,0|1,0,1]=4 5297 B9R0.45 N#CCCSCCCCF 62a_100011215226_100000729493 [0,2,0,0,0,0|1,0,1]=4 5298 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [0,2,0,0,0,0|1,0,1]=4 5299 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [0,2,0,0,0,0|1,0,1]=4 5300 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [0,2,0,0,0,0|1,1,0]=4 5301 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,2,0,0,0,0|1,1,0]=4 5302 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [0,2,0,0,0,0|1,1,0]=4 5303 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,2,0,0,0,0|1,1,0]=4 5304 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [0,2,0,0,0,0|2,0,0]=4 5305 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [0,2,0,0,0,0|2,0,0]=4 5306 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,2,0,0,0,0|2,0,0]=4 5307 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,2,0,0,0,0|2,0,0]=4 5308 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,2,0,0,0,0|1,0,1]=4 5309 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,2,0,0,0,0|1,0,1]=4 5310 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,2,0,0,0,0|1,0,1]=4 5311 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,2,0,0,0,0|1,0,1]=4 5312 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,2,0,0,0,0|2,0,0]=4 5313 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,2,0,0,0,0|2,0,0]=4 5314 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,2,0,0,0,0|2,0,0]=4 5315 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,2,0,0,0,0|2,0,0]=4 5316 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,2,0,0,0,0|2,0,0]=4 5317 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,2,0,0,0,0|2,0,0]=4 5318 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,2,0,0,0,0|2,0,0]=4 5319 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,2,0,0,0,0|2,0,0]=4 5320 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,2,0,0,0,0|2,0,0]=4 5321 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,2,0,0,0,0|2,0,0]=4 5322 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,2,0,0,0,0|1,1,0]=4 5323 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,2,0,0,0,0|1,1,0]=4 5324 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,2,0,0,0,0|1,1,0]=4 5325 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,2,0,0,0,0|1,0,0]=3 5326 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,2,0,0,0,0|1,0,0]=3 5327 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,2,0,0,0,0|1,0,0]=3 5328 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,2,0,0,0,0|1,0,0]=3 5329 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,2,0,0,0,0|1,1,0]=4 5330 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,2,0,0,0,0|1,1,0]=4 5331 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,2,0,0,0,0|1,1,0]=4 5332 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,2,0,0,0,0|1,1,0]=4 5333 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,2,0,0,0,0|1,1,0]=4 5334 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,2,0,0,0,0|1,1,0]=4 5335 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,2,0,0,0,0|1,0,0]=3 5336 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,2,0,0,0,0|1,0,0]=3 5337 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [0,2,0,0,0,0|2,0,0]=4 5338 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [0,2,0,0,0,0|2,0,0]=4 5339 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [0,2,0,0,0,0|2,0,0]=4 5340 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [0,2,0,0,0,0|2,0,0]=4 5341 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [0,2,0,0,0,0|2,0,0]=4 5342 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,2,0,0,0,0|2,0,0]=4 5343 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,2,0,0,0,0|2,0,0]=4 5344 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [0,2,0,0,0,0|2,0,0]=4 5345 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,2,0,0,0,0|2,0,0]=4 5346 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,2,0,0,0,0|2,0,0]=4 5347 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,2,0,0,0,0|1,1,0]=4 5348 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,2,0,0,0,0|1,1,0]=4 5349 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,2,0,0,0,0|2,0,0]=4 5350 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,2,0,0,0,0|2,0,0]=4 5351 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,2,0,0,0,0|2,0,0]=4 5352 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [0,2,0,0,0,0|1,1,0]=4 5353 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,2,0,0,0,0|2,0,0]=4 5354 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,2,0,0,0,0|2,0,0]=4 5355 B9R0.46 C#CCCCSC(C)CC 62a_100000758301_100011215417 [0,2,0,0,0,0|1,0,1]=4 5356 B9R0.46 C#CCCCSC(C)CC 62a_100011215417_100000758301 [0,2,0,0,0,0|1,0,1]=4 5357 B9R0.46 C#CCCSCC(C)CC 62a_100000688953_100000748023 [0,2,0,0,0,0|1,0,1]=4 5358 B9R0.46 C#CCCSCC(C)CC 62a_100000748023_100000688953 [0,2,0,0,0,0|1,0,1]=4 5359 B9R0.46 C#CCCSCC(O)CC 62a_100000688953_100011218378 [0,2,0,0,0,0|1,0,1]=4 5360 B9R0.46 C#CCCSCC(O)CC 62a_100011218378_100000688953 [0,2,0,0,0,0|1,0,1]=4 5361 B9R0.46 C#CCCSC[C@@H](C)CC 62a_100000688953_100009816398 [0,2,0,0,0,0|1,0,1]=4 5362 B9R0.46 C#CCCSC[C@@H](C)CC 62a_100009816398_100000688953 [0,2,0,0,0,0|1,0,1]=4 5363 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [0,2,0,0,0,0|1,0,1]=4 5364 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [0,2,0,0,0,0|1,0,1]=4 5365 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [0,2,0,0,0,0|1,0,1]=4 5366 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [0,2,0,0,0,0|1,0,1]=4 5367 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [0,2,0,0,0,0|1,0,1]=4 5368 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [0,2,0,0,0,0|1,0,1]=4 5369 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,2,0,0,0,0|1,1,0]=4 5370 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,2,0,0,0,0|1,1,0]=4 5371 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,2,0,0,0,0|1,0,1]=4 5372 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,2,0,0,0,0|1,0,1]=4 5373 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [0,2,0,0,0,0|1,0,1]=4 5374 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [0,2,0,0,0,0|1,0,1]=4 5375 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [0,2,0,0,0,0|1,0,1]=4 5376 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [0,2,0,0,0,0|1,0,1]=4 5377 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [0,2,0,0,0,0|1,0,1]=4 5378 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [0,2,0,0,0,0|1,0,1]=4 5379 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [0,2,0,0,0,0|1,0,1]=4 5380 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [0,2,0,0,0,0|1,0,1]=4 5381 B9R0.46 CC#CCSCC(C)CC 62a_100000748023_100000748600 [0,2,0,0,0,0|1,0,1]=4 5382 B9R0.46 CC#CCSCC(C)CC 62a_100000748600_100000748023 [0,2,0,0,0,0|1,0,1]=4 5383 B9R0.46 CC#CCSCC(O)CC 62a_100000748600_100011218378 [0,2,0,0,0,0|1,0,1]=4 5384 B9R0.46 CC#CCSCC(O)CC 62a_100011218378_100000748600 [0,2,0,0,0,0|1,0,1]=4 5385 B9R0.46 CC#CCSC[C@@H](C)CC 62a_100000748600_100009816398 [0,2,0,0,0,0|1,0,1]=4 5386 B9R0.46 CC#CCSC[C@@H](C)CC 62a_100009816398_100000748600 [0,2,0,0,0,0|1,0,1]=4 5387 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [0,2,0,0,0,0|2,0,0]=4 5388 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,2,0,0,0,0|2,0,0]=4 5389 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [0,2,0,0,0,0|1,0,1]=4 5390 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [0,2,0,0,0,0|1,0,1]=4 5391 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [0,2,0,0,0,0|1,0,1]=4 5392 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [0,2,0,0,0,0|1,0,1]=4 5393 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [0,2,0,0,0,0|1,0,1]=4 5394 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [0,2,0,0,0,0|1,0,1]=4 5395 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [0,2,0,0,0,0|1,0,1]=4 5396 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [0,2,0,0,0,0|1,0,1]=4 5397 B9R0.46 CCC#CCSC(C)CC 62a_100000758301_100009813939 [0,2,0,0,0,0|1,0,1]=4 5398 B9R0.46 CCC#CCSC(C)CC 62a_100009813939_100000758301 [0,2,0,0,0,0|1,0,1]=4 5399 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,2,0,0,0,0|1,0,1]=4 5400 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,2,0,0,0,0|1,0,1]=4 5401 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,2,0,0,0,0|1,0,1]=4 5402 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,2,0,0,0,0|1,0,1]=4 5403 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,2,0,0,0,0|1,0,1]=4 5404 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,2,0,0,0,0|1,0,1]=4 5405 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,2,0,0,0,0|1,0,1]=4 5406 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,2,0,0,0,0|1,0,1]=4 5407 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,2,0,0,0,0|2,0,0]=4 5408 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,2,0,0,0,0|2,0,0]=4 5409 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,2,0,0,0,0|2,0,0]=4 5410 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,2,0,0,0,0|2,0,0]=4 5411 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,2,0,0,0,0|2,0,0]=4 5412 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,2,0,0,0,0|2,0,0]=4 5413 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,2,0,0,0,0|2,0,0]=4 5414 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,2,0,0,0,0|2,0,0]=4 5415 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,2,0,0,0,0|2,0,0]=4 5416 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,2,0,0,0,0|2,0,0]=4 5417 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,2,0,0,0,0|2,0,0]=4 5418 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,2,0,0,0,0|2,0,0]=4 5419 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,2,0,0,0,0|1,1,0]=4 5420 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,2,0,0,0,0|1,1,0]=4 5421 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,2,0,0,0,0|1,1,0]=4 5422 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,2,0,0,0,0|1,1,0]=4 5423 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,2,0,0,0,0|1,1,0]=4 5424 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,2,0,0,0,0|1,1,0]=4 5425 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,2,0,0,0,0|1,1,0]=4 5426 B9R0.46 CCC(C)CSCCC#N 62a_100000748023_100011215226 [0,2,0,0,0,0|1,0,1]=4 5427 B9R0.46 CCC(C)CSCCC#N 62a_100011215226_100000748023 [0,2,0,0,0,0|1,0,1]=4 5428 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [0,2,0,0,0,0|1,0,0]=3 5429 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [0,2,0,0,0,0|1,0,0]=3 5430 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,2,0,0,0,0|1,0,0]=3 5431 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,2,0,0,0,0|1,0,0]=3 5432 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,2,0,0,0,0|1,0,0]=3 5433 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,2,0,0,0,0|1,0,0]=3 5434 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,2,0,0,0,0|1,0,0]=3 5435 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,2,0,0,0,0|1,0,0]=3 5436 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [0,2,0,0,0,0|2,0,0]=4 5437 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,2,0,0,0,0|2,0,0]=4 5438 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,2,0,0,0,0|2,0,0]=4 5439 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,2,0,0,0,0|2,0,0]=4 5440 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,2,0,0,0,0|2,0,0]=4 5441 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,2,0,0,0,0|2,0,0]=4 5442 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,2,0,0,0,0|2,0,0]=4 5443 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,2,0,0,0,0|1,1,0]=4 5444 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,2,0,0,0,0|1,1,0]=4 5445 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,2,0,0,0,0|1,1,0]=4 5446 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,2,0,0,0,0|1,1,0]=4 5447 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,2,0,0,0,0|1,1,0]=4 5448 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,2,0,0,0,0|1,1,0]=4 5449 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,2,0,0,0,0|1,1,0]=4 5450 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,2,0,0,0,0|1,1,0]=4 5451 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,2,0,0,0,0|1,1,0]=4 5452 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,2,0,0,0,0|1,1,0]=4 5453 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,2,0,0,0,0|1,1,0]=4 5454 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,2,0,0,0,0|1,1,0]=4 5455 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,2,0,0,0,0|1,1,0]=4 5456 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,2,0,0,0,0|1,1,0]=4 5457 B9R0.46 CCC(C)SCCCC#N 62a_100000687738_100000758301 [0,2,0,0,0,0|1,0,1]=4 5458 B9R0.46 CCC(C)SCCCC#N 62a_100000758301_100000687738 [0,2,0,0,0,0|1,0,1]=4 5459 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [0,2,0,0,0,0|1,0,1]=4 5460 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [0,2,0,0,0,0|1,0,1]=4 5461 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [0,2,0,0,0,0|1,0,0]=3 5462 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [0,2,0,0,0,0|1,0,0]=3 5463 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,2,0,0,0,0|1,0,0]=3 5464 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,2,0,0,0,0|1,0,0]=3 5465 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,2,0,0,0,0|1,0,0]=3 5466 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,2,0,0,0,0|1,0,0]=3 5467 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,2,0,0,0,0|2,0,0]=4 5468 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,2,0,0,0,0|2,0,0]=4 5469 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,2,0,0,0,0|2,0,0]=4 5470 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,2,0,0,0,0|2,0,0]=4 5471 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,2,0,0,0,0|2,0,0]=4 5472 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,2,0,0,0,0|2,0,0]=4 5473 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,2,0,0,0,0|2,0,0]=4 5474 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,2,0,0,0,0|2,0,0]=4 5475 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,2,0,0,0,0|1,1,0]=4 5476 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,2,0,0,0,0|1,1,0]=4 5477 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,2,0,0,0,0|1,1,0]=4 5478 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,2,0,0,0,0|1,1,0]=4 5479 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,2,0,0,0,0|1,1,0]=4 5480 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,2,0,0,0,0|1,1,0]=4 5481 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,2,0,0,0,0|1,1,0]=4 5482 B9R0.46 CCC(O)CSCCC#N 62a_100011215226_100011218378 [0,2,0,0,0,0|1,0,1]=4 5483 B9R0.46 CCC(O)CSCCC#N 62a_100011218378_100011215226 [0,2,0,0,0,0|1,0,1]=4 5484 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,2,0,0,0,0|1,0,0]=3 5485 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,2,0,0,0,0|1,0,0]=3 5486 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,2,0,0,0,0|1,0,0]=3 5487 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,2,0,0,0,0|1,0,0]=3 5488 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,2,0,0,0,0|1,0,0]=3 5489 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,2,0,0,0,0|1,0,0]=3 5490 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,2,0,0,0,0|1,0,0]=3 5491 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,2,0,0,0,0|1,0,0]=3 5492 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,2,0,0,0,0|2,0,0]=4 5493 B9R0.46 CCCC=NNC(C)CC 4a_100000718999_100000185831 [0,2,0,0,0,0|2,0,0]=4 5494 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,2,0,0,0,0|2,0,0]=4 5495 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,2,0,0,0,0|2,0,0]=4 5496 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,2,0,0,0,0|2,0,0]=4 5497 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,2,0,0,0,0|2,0,0]=4 5498 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,2,0,0,0,0|2,0,0]=4 5499 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,2,0,0,0,0|2,0,0]=4 5500 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,2,0,0,0,0|2,0,0]=4 5501 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,2,0,0,0,0|2,0,0]=4 5502 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,2,0,0,0,0|2,0,0]=4 5503 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,2,0,0,0,0|2,0,0]=4 5504 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,2,0,0,0,0|2,0,0]=4 5505 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,2,0,0,0,0|2,0,0]=4 5506 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,2,0,0,0,0|2,0,0]=4 5507 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,2,0,0,0,0|2,0,0]=4 5508 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,2,0,0,0,0|2,0,0]=4 5509 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,2,0,0,0,0|2,0,0]=4 5510 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,2,0,0,0,0|2,0,0]=4 5511 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,2,0,0,0,0|2,0,0]=4 5512 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,2,0,0,0,0|2,0,0]=4 5513 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,2,0,0,0,0|2,0,0]=4 5514 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,2,0,0,0,0|2,0,0]=4 5515 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,2,0,0,0,0|2,0,0]=4 5516 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,2,0,0,0,0|2,0,0]=4 5517 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,2,0,0,0,0|2,0,0]=4 5518 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,2,0,0,0,0|2,0,0]=4 5519 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,2,0,0,0,0|1,1,0]=4 5520 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,2,0,0,0,0|1,1,0]=4 5521 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,2,0,0,0,0|1,1,0]=4 5522 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,2,0,0,0,0|1,0,0]=3 5523 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,2,0,0,0,0|1,0,0]=3 5524 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,2,0,0,0,0|2,0,0]=4 5525 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,2,0,0,0,0|2,0,0]=4 5526 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,2,0,0,0,0|2,0,0]=4 5527 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,2,0,0,0,0|2,0,0]=4 5528 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,2,0,0,0,0|2,0,0]=4 5529 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,2,0,0,0,0|2,0,0]=4 5530 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,2,0,0,0,0|2,0,0]=4 5531 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,2,0,0,0,0|2,0,0]=4 5532 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,2,0,0,0,0|2,0,0]=4 5533 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,2,0,0,0,0|2,0,0]=4 5534 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,2,0,0,0,0|2,0,0]=4 5535 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,2,0,0,0,0|2,0,0]=4 5536 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,2,0,0,0,0|2,0,0]=4 5537 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,2,0,0,0,0|2,0,0]=4 5538 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,2,0,0,0,0|2,0,0]=4 5539 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,2,0,0,0,0|2,0,0]=4 5540 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,2,0,0,0,0|2,0,0]=4 5541 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,2,0,0,0,0|2,0,0]=4 5542 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,2,0,0,0,0|2,0,0]=4 5543 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,2,0,0,0,0|2,0,0]=4 5544 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,2,0,0,0,0|2,0,0]=4 5545 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,2,0,0,0,0|2,0,0]=4 5546 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,2,0,0,0,0|2,0,0]=4 5547 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,2,0,0,0,0|2,0,0]=4 5548 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,2,0,0,0,0|2,0,0]=4 5549 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,2,0,0,0,0|2,0,0]=4 5550 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,2,0,0,0,0|2,0,0]=4 5551 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,2,0,0,0,0|1,1,0]=4 5552 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,2,0,0,0,0|1,1,0]=4 5553 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,2,0,0,0,0|1,1,0]=4 5554 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,2,0,0,0,0|1,1,0]=4 5555 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,2,0,0,0,0|1,1,0]=4 5556 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,2,0,0,0,0|1,1,0]=4 5557 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,2,0,0,0,0|1,1,0]=4 5558 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,2,0,0,0,0|1,1,0]=4 5559 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,2,0,0,0,0|1,1,0]=4 5560 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,2,0,0,0,0|1,1,0]=4 5561 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,2,0,0,0,0|1,1,0]=4 5562 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,2,0,0,0,0|1,1,0]=4 5563 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,2,0,0,0,0|1,1,0]=4 5564 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,2,0,0,0,0|1,1,0]=4 5565 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,2,0,0,0,0|1,1,0]=4 5566 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,2,0,0,0,0|1,1,0]=4 5567 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,2,0,0,0,0|1,1,0]=4 5568 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,2,0,0,0,0|1,1,0]=4 5569 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,2,0,0,0,0|1,1,0]=4 5570 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,2,0,0,0,0|1,1,0]=4 5571 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,2,0,0,0,0|1,1,0]=4 5572 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,2,0,0,0,0|1,1,0]=4 5573 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,2,0,0,0,0|1,1,0]=4 5574 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,2,0,0,0,0|1,1,0]=4 5575 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,2,0,0,0,0|1,1,0]=4 5576 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,2,0,0,0,0|1,1,0]=4 5577 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,2,0,0,0,0|1,1,0]=4 5578 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,2,0,0,0,0|1,1,0]=4 5579 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,2,0,0,0,0|1,1,0]=4 5580 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,2,0,0,0,0|1,0,0]=3 5581 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,2,0,0,0,0|1,0,0]=3 5582 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,2,0,0,0,0|1,0,0]=3 5583 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,2,0,0,0,0|1,0,1]=4 5584 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,2,0,0,0,0|1,0,1]=4 5585 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,2,0,0,0,0|1,0,1]=4 5586 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,2,0,0,0,0|1,0,1]=4 5587 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,2,0,0,0,0|1,0,1]=4 5588 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,2,0,0,0,0|1,0,1]=4 5589 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,2,0,0,0,0|1,0,1]=4 5590 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,2,0,0,0,0|1,0,1]=4 5591 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,2,0,0,0,0|1,0,1]=4 5592 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,2,0,0,0,0|1,0,0]=3 5593 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,2,0,0,0,0|1,0,0]=3 5594 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,2,0,0,0,0|1,0,0]=3 5595 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,2,0,0,0,0|1,0,0]=3 5596 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,2,0,0,0,0|1,0,0]=3 5597 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,2,0,0,0,0|1,0,0]=3 5598 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,2,0,0,0,0|1,0,0]=3 5599 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,2,0,0,0,0|1,0,0]=3 5600 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,2,0,0,0,0|1,0,0]=3 5601 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,2,0,0,0,0|1,0,0]=3 5602 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,2,0,0,0,0|1,0,0]=3 5603 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,2,0,0,0,0|1,0,0]=3 5604 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,2,0,0,0,0|1,0,0]=3 5605 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,2,0,0,0,0|1,0,0]=3 5606 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,2,0,0,0,0|2,0,0]=4 5607 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,2,0,0,0,0|2,0,0]=4 5608 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,2,0,0,0,0|2,0,0]=4 5609 B9R0.46 CCCNN=CC(C)CC 4a_100000740057_100000243153 [0,2,0,0,0,0|2,0,0]=4 5610 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,2,0,0,0,0|1,1,0]=4 5611 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,2,0,0,0,0|1,1,0]=4 5612 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,2,0,0,0,0|1,1,0]=4 5613 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [0,2,0,0,0,0|1,1,0]=4 5614 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [0,2,0,0,0,0|1,1,0]=4 5615 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,2,0,0,0,0|1,0,1]=4 5616 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,2,0,0,0,0|1,0,1]=4 5617 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,2,0,0,0,0|1,0,1]=4 5618 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,2,0,0,0,0|1,0,1]=4 5619 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,2,0,0,0,0|2,0,0]=4 5620 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,2,0,0,0,0|2,0,0]=4 5621 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,2,0,0,0,0|2,0,0]=4 5622 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,2,0,0,0,0|2,0,0]=4 5623 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,2,0,0,0,0|1,1,0]=4 5624 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,2,0,0,0,0|1,1,0]=4 5625 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,2,0,0,0,0|1,1,0]=4 5626 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,2,0,0,0,0|1,0,0]=3 5627 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,2,0,0,0,0|1,0,0]=3 5628 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,2,0,0,0,0|2,0,0]=4 5629 B9R0.46 CCOCCSC(C)OC 62a_100000210147_100009879195 [0,2,0,0,0,0|2,0,0]=4 5630 B9R0.46 CCOCCSC(C)OC 62a_100009879195_100011215890 [0,2,0,0,0,0|2,0,0]=4 5631 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,2,0,0,0,0|2,0,0]=4 5632 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,2,0,0,0,0|2,0,0]=4 5633 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,2,0,0,0,0|1,0,1]=4 5634 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,2,0,0,0,0|1,0,1]=4 5635 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,2,0,0,0,0|1,0,0]=3 5636 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,2,0,0,0,0|1,0,0]=3 5637 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,2,0,0,0,0|1,0,0]=3 5638 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,2,0,0,0,0|1,0,0]=3 5639 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,2,0,0,0,0|2,0,0]=4 5640 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,2,0,0,0,0|2,0,0]=4 5641 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,2,0,0,0,0|1,0,0]=3 5642 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,2,0,0,0,0|1,0,0]=3 5643 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [0,2,0,0,0,0|2,0,0]=4 5644 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [0,2,0,0,0,0|2,0,0]=4 5645 B9R0.46 CCOCSC[C@@H](O)CF 62a_100000739092_100015614560 [0,2,0,0,0,0|2,0,0]=4 5646 B9R0.46 CCOCSC[C@@H](O)CF 62a_100015614560_100000739092 [0,2,0,0,0,0|2,0,0]=4 5647 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,2,0,0,0,0|2,0,0]=4 5648 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,2,0,0,0,0|2,0,0]=4 5649 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [0,2,0,0,0,0|2,0,0]=4 5650 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [0,2,0,0,0,0|2,0,0]=4 5651 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,2,0,0,0,0|1,1,0]=4 5652 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,2,0,0,0,0|1,1,0]=4 5653 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,2,0,0,0,0|1,1,0]=4 5654 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [0,2,0,0,0,0|1,0,0]=3 5655 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [0,2,0,0,0,0|1,0,0]=3 5656 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [0,2,0,0,0,0|2,0,0]=4 5657 B9R0.46 CCSCCSC(C)OC 62a_100000757381_100009879195 [0,2,0,0,0,0|2,0,0]=4 5658 B9R0.46 CCSCCSC(C)OC 62a_100009879195_100000757381 [0,2,0,0,0,0|2,0,0]=4 5659 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [0,2,0,0,0,0|2,0,0]=4 5660 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [0,2,0,0,0,0|2,0,0]=4 5661 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,2,0,0,0,0|2,0,0]=4 5662 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,2,0,0,0,0|2,0,0]=4 5663 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,2,0,0,0,0|2,0,0]=4 5664 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,2,0,0,0,0|2,0,0]=4 5665 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [0,2,0,0,0,0|1,1,0]=4 5666 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [0,2,0,0,0,0|1,1,0]=4 5667 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [0,2,0,0,0,0|1,1,0]=4 5668 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [0,2,0,0,0,0|1,1,0]=4 5669 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [0,2,0,0,0,0|1,1,0]=4 5670 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,2,0,0,0,0|1,1,0]=4 5671 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [0,2,0,0,0,0|1,1,0]=4 5672 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [0,2,0,0,0,0|1,1,0]=4 5673 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,2,0,0,0,0|1,1,0]=4 5674 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,2,0,0,0,0|1,1,0]=4 5675 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,2,0,0,0,0|1,1,0]=4 5676 B9R0.46 CC[C@H](C)CSCCC#N 62a_100009816398_100011215226 [0,2,0,0,0,0|1,0,1]=4 5677 B9R0.46 CC[C@H](C)CSCCC#N 62a_100011215226_100009816398 [0,2,0,0,0,0|1,0,1]=4 5678 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [0,2,0,0,0,0|1,0,0]=3 5679 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [0,2,0,0,0,0|1,0,0]=3 5680 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,2,0,0,0,0|1,0,0]=3 5681 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,2,0,0,0,0|1,0,0]=3 5682 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,2,0,0,0,0|1,0,0]=3 5683 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,2,0,0,0,0|1,0,0]=3 5684 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,2,0,0,0,0|1,0,0]=3 5685 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,2,0,0,0,0|1,0,0]=3 5686 B9R0.46 COC(C)SCCCCF 62a_100000729493_100009879195 [0,2,0,0,0,0|2,0,0]=4 5687 B9R0.46 COC(C)SCCCCF 62a_100009879195_100000729493 [0,2,0,0,0,0|2,0,0]=4 5688 B9R0.46 COC(C)SCCCCO 62a_100000210776_100009879195 [0,2,0,0,0,0|2,0,0]=4 5689 B9R0.46 COC(C)SCCCCO 62a_100009879195_100000210776 [0,2,0,0,0,0|2,0,0]=4 5690 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [0,2,0,0,0,0|2,0,0]=4 5691 B9R0.46 COCCCSC(C)OC 62a_100000709357_100009879195 [0,2,0,0,0,0|2,0,0]=4 5692 B9R0.46 COCCCSC(C)OC 62a_100009879195_100000709357 [0,2,0,0,0,0|2,0,0]=4 5693 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [0,2,0,0,0,0|2,0,0]=4 5694 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [0,2,0,0,0,0|2,0,0]=4 5695 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,2,0,0,0,0|2,0,0]=4 5696 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,2,0,0,0,0|2,0,0]=4 5697 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [0,2,0,0,0,0|2,0,0]=4 5698 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [0,2,0,0,0,0|2,0,0]=4 5699 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [0,2,0,0,0,0|2,0,0]=4 5700 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [0,2,0,0,0,0|2,0,0]=4 5701 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,2,0,0,0,0|2,0,0]=4 5702 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,2,0,0,0,0|2,0,0]=4 5703 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,2,0,0,0,0|2,0,0]=4 5704 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,2,0,0,0,0|2,0,0]=4 5705 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [0,2,0,0,0,0|2,0,0]=4 5706 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [0,2,0,0,0,0|2,0,0]=4 5707 B9R0.46 CSCCSC[C@@H](O)CF 62a_100000212216_100015614560 [0,2,0,0,0,0|2,0,0]=4 5708 B9R0.46 CSCCSC[C@@H](O)CF 62a_100015614560_100000751147 [0,2,0,0,0,0|2,0,0]=4 5709 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,2,0,0,0,0|2,0,0]=4 5710 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,2,0,0,0,0|2,0,0]=4 5711 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [0,2,0,0,0,0|2,0,0]=4 5712 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [0,2,0,0,0,0|2,0,0]=4 5713 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,2,0,0,0,0|2,0,0]=4 5714 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,2,0,0,0,0|2,0,0]=4 5715 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [0,2,0,0,0,0|2,0,0]=4 5716 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [0,2,0,0,0,0|2,0,0]=4 5717 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,2,0,0,0,0|2,0,0]=4 5718 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,2,0,0,0,0|2,0,0]=4 5719 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,2,0,0,0,0|2,0,0]=4 5720 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,2,0,0,0,0|2,0,0]=4 5721 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,2,0,0,0,0|2,0,0]=4 5722 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,2,0,0,0,0|2,0,0]=4 5723 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,2,0,0,0,0|2,0,0]=4 5724 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,2,0,0,0,0|2,0,0]=4 5725 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,2,0,0,0,0|2,0,0]=4 5726 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,2,0,0,0,0|2,0,0]=4 5727 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,2,0,0,0,0|2,0,0]=4 5728 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,2,0,0,0,0|2,0,0]=4 5729 B9R0.46 O[C@@H](CF)CSCCCF 62a_100011934791_100015614560 [0,2,0,0,0,0|2,0,0]=4 5730 B9R0.46 O[C@@H](CF)CSCCCF 62a_100015614560_100011934791 [0,2,0,0,0,0|2,0,0]=4 5731 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,2,0,0,0,0|1,0,1]=4 5732 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,2,0,0,0,0|1,0,1]=4 5733 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,2,0,0,0,0|1,0,1]=4 5734 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,2,0,0,0,0|1,0,1]=4 5735 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,2,0,0,0,0|1,0,1]=4 5736 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,2,0,0,0,0|1,0,1]=4 5737 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,2,0,0,0,0|1,0,1]=4 5738 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,2,0,0,0,0|1,0,1]=4 5739 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,2,0,0,0,0|2,0,0]=4 5740 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,2,0,0,0,0|2,0,0]=4 5741 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,2,0,0,0,0|2,0,0]=4 5742 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,2,0,0,0,0|2,0,0]=4 5743 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,2,0,0,0,0|2,0,0]=4 5744 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,2,0,0,0,0|2,0,0]=4 5745 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,2,0,0,0,0|2,0,0]=4 5746 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [0,2,0,0,0,0|2,0,0]=4 5747 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [0,2,0,0,0,0|2,0,0]=4 5748 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,2,0,0,0,0|2,0,0]=4 5749 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,2,0,0,0,0|2,0,0]=4 5750 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,2,0,0,0,0|2,0,0]=4 5751 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,2,0,0,0,0|2,0,0]=4 5752 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,2,0,0,0,0|2,0,0]=4 5753 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,2,0,0,0,0|2,0,0]=4 5754 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,2,0,0,0,0|2,0,0]=4 5755 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,2,0,0,0,0|2,0,0]=4 5756 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,2,0,0,0,0|2,0,0]=4 5757 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [0,2,0,0,0,0|2,0,0]=4 5758 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [0,2,0,0,0,0|2,0,0]=4 5759 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,2,0,0,0,0|2,0,0]=4 5760 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,2,0,0,0,0|2,0,0]=4 5761 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,2,0,0,0,0|1,0,1]=4 5762 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,2,0,0,0,0|1,0,1]=4 5763 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,2,0,0,0,0|1,0,1]=4 5764 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,2,0,0,0,0|1,0,1]=4 5765 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,2,0,0,0,0|1,0,1]=4 5766 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,2,0,0,0,0|1,0,1]=4 5767 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,2,0,0,0,0|2,0,0]=4 5768 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,2,0,0,0,0|2,0,0]=4 5769 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,2,0,0,0,0|2,0,0]=4 5770 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,2,0,0,0,0|2,0,0]=4 5771 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,2,0,0,0,0|2,0,0]=4 5772 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,2,0,0,0,0|2,0,0]=4 5773 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,2,0,0,0,0|2,0,0]=4 5774 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,2,0,0,0,0|2,0,0]=4 5775 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,2,0,0,0,0|2,0,0]=4 5776 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,2,0,0,0,0|2,0,0]=4 5777 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [0,2,0,0,0,0|1,1,0]=4 5778 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,2,0,0,0,0|1,1,0]=4 5779 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [0,2,0,0,0,0|1,1,0]=4 5780 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [0,2,0,0,0,0|1,1,0]=4 5781 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [0,2,0,0,0,0|1,1,0]=4 5782 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,2,0,0,0,0|1,0,0]=3 5783 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,2,0,0,0,0|1,0,0]=3 5784 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,2,0,0,0,0|1,0,0]=3 5785 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,2,0,0,0,0|1,0,0]=3 5786 B9R0.1 CCC(C)CSCC(F)F 62a_100000748023_100011934356 [0,2,0,0,0,0|2,0,0]=4 5787 B9R0.1 CCC(C)CSCC(F)F 62a_100011934356_100000748023 [0,2,0,0,0,0|2,0,0]=4 5788 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,2,0,0,0,0|1,0,0]=3 5789 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,2,0,0,0,0|1,0,0]=3 5790 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,2,0,0,0,0|2,0,0]=4 5791 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,2,0,0,0,0|2,0,0]=4 5792 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,2,0,0,0,0|2,0,0]=4 5793 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,2,0,0,0,0|2,0,0]=4 5794 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,2,0,0,0,0|1,1,0]=4 5795 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,2,0,0,0,0|1,1,0]=4 5796 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,2,0,0,0,0|1,1,0]=4 5797 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,2,0,0,0,0|1,1,0]=4 5798 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,2,0,0,0,0|1,1,0]=4 5799 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,2,0,0,0,0|1,1,0]=4 5800 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,2,0,0,0,0|1,0,1]=4 5801 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,2,0,0,0,0|1,0,1]=4 5802 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,2,0,0,0,0|1,0,0]=3 5803 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,2,0,0,0,0|1,0,0]=3 5804 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,2,0,0,0,0|1,0,0]=3 5805 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,2,0,0,0,0|1,0,0]=3 5806 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [0,2,0,0,0,0|2,0,0]=4 5807 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [0,2,0,0,0,0|2,0,0]=4 5808 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [0,2,0,0,0,0|2,0,0]=4 5809 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,2,0,0,0,0|2,0,0]=4 5810 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,2,0,0,0,0|2,0,0]=4 5811 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,2,0,0,0,0|2,0,0]=4 5812 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,2,0,0,0,0|2,0,0]=4 5813 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,2,0,0,0,0|2,0,0]=4 5814 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,2,0,0,0,0|2,0,0]=4 5815 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,2,0,0,0,0|2,0,0]=4 5816 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,2,0,0,0,0|2,0,0]=4 5817 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,2,0,0,0,0|1,1,0]=4 5818 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,2,0,0,0,0|1,1,0]=4 5819 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,2,0,0,0,0|1,1,0]=4 5820 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,2,0,0,0,0|1,1,0]=4 5821 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,2,0,0,0,0|1,1,0]=4 5822 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,2,0,0,0,0|1,0,0]=3 5823 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,2,0,0,0,0|1,0,0]=3 5824 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,2,0,0,0,0|1,0,0]=3 5825 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,2,0,0,0,0|1,0,0]=3 5826 B9R0.1 CCC(O)CSCC(F)F 62a_100011218378_100011934356 [0,2,0,0,0,0|2,0,0]=4 5827 B9R0.1 CCC(O)CSCC(F)F 62a_100011934356_100011218378 [0,2,0,0,0,0|2,0,0]=4 5828 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,2,0,0,0,0|1,0,0]=3 5829 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,2,0,0,0,0|1,0,0]=3 5830 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,2,0,0,0,0|2,0,0]=4 5831 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,2,0,0,0,0|2,0,0]=4 5832 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,2,0,0,0,0|2,0,0]=4 5833 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,2,0,0,0,0|2,0,0]=4 5834 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [0,2,0,0,0,0|1,1,0]=4 5835 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,2,0,0,0,0|1,1,0]=4 5836 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,2,0,0,0,0|1,1,0]=4 5837 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [0,2,0,0,0,0|1,1,0]=4 5838 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,2,0,0,0,0|1,1,0]=4 5839 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [0,2,0,0,0,0|1,1,0]=4 5840 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [0,2,0,0,0,0|1,1,0]=4 5841 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,2,0,0,0,0|1,1,0]=4 5842 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,2,0,0,0,0|1,0,0]=3 5843 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,2,0,0,0,0|1,0,0]=3 5844 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,2,0,0,0,0|1,0,0]=3 5845 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,2,0,0,0,0|1,0,0]=3 5846 B9R0.1 CC[C@H](C)CSCC(F)F 62a_100009816398_100011934356 [0,2,0,0,0,0|2,0,0]=4 5847 B9R0.1 CC[C@H](C)CSCC(F)F 62a_100011934356_100009816398 [0,2,0,0,0,0|2,0,0]=4 5848 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,2,0,0,0,0|1,0,0]=3 5849 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,2,0,0,0,0|1,0,0]=3 5850 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,2,0,0,0,0|2,0,0]=4 5851 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,2,0,0,0,0|2,0,0]=4 5852 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [0,2,0,0,0,0|2,0,0]=4 5853 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [0,2,0,0,0,0|2,0,0]=4 5854 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,2,0,0,0,0|2,0,0]=4 5855 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,2,0,0,0,0|2,0,0]=4 5856 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,2,0,0,0,0|2,0,0]=4 5857 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,2,0,0,0,0|2,0,0]=4 5858 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [0,2,0,0,0,0|2,0,0]=4 5859 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [0,2,0,0,0,0|2,0,0]=4 5860 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,2,0,0,0,0|2,0,0]=4 5861 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,2,0,0,0,0|2,0,0]=4 5862 B9R0.20 CCC(C)(C)SCCCF 62a_100000032637_100011934791 [0,2,0,0,0,0|2,0,0]=4 5863 B9R0.20 CCC(C)(C)SCCCF 62a_100011934791_100000032637 [0,2,0,0,0,0|2,0,0]=4 5864 B9R0.20 CCC(C)(C)SCCCO 62a_100000032637_100011215043 [0,2,0,0,0,0|2,0,0]=4 5865 B9R0.20 CCC(C)(C)SCCCO 62a_100011215043_100000032637 [0,2,0,0,0,0|2,0,0]=4 5866 B9R0.20 CCC(C)(C)SCCOC 62a_100000032637_100000233755 [0,2,0,0,0,0|2,0,0]=4 5867 B9R0.20 CCC(C)(C)SCCOC 62a_100000233755_100000032637 [0,2,0,0,0,0|2,0,0]=4 5868 B9R0.20 CCC(C)(C)SCCSC 62a_100000032637_100000751147 [0,2,0,0,0,0|2,0,0]=4 5869 B9R0.20 CCC(C)(C)SCCSC 62a_100000212216_100000032637 [0,2,0,0,0,0|2,0,0]=4 5870 B9R0.20 CCCCNC(C)(C)CC 2230a_100000211385_100000210211 [0,2,0,0,0,0|2,0,0]=4 5871 B9R0.20 CCCCNC(C)(C)CC 7a_106832991798_100000210677 [0,2,0,0,0,0|2,0,0]=4 5872 B9R0.20 CCCCOC(C)(C)CC 7a_100000210227_100000210677 [0,2,0,0,0,0|1,1,0]=4 5873 B9R0.20 CCCCOC(C)(C)CC 7a_100000210230_100000210211 [0,2,0,0,0,0|1,1,0]=4 5874 B9R0.20 CCCCSC(C)(C)CC 62a_100000032637_100000210210 [0,2,0,0,0,0|1,0,0]=3 5875 B9R0.20 CCCCSC(C)(C)CC 62a_100000210211_100000032637 [0,2,0,0,0,0|1,0,0]=3 5876 B9R0.20 CCCCSC(F)(F)CO 62a_100000210211_100011217949 [0,2,0,0,0,0|2,0,0]=4 5877 B9R0.20 CCCCSC(F)(F)CO 62a_100011217949_100000210210 [0,2,0,0,0,0|2,0,0]=4 5878 B9R0.20 CCCOCC(C)(C)CC 7a_100000765029_100000210303 [0,2,0,0,0,0|1,1,0]=4 5879 B9R0.20 CCCSCC(C)(C)CO 62a_100000210303_100009813988 [0,2,0,0,0,0|2,0,0]=4 5880 B9R0.20 CCCSCC(C)(C)CO 62a_100009813988_100000210303 [0,2,0,0,0,0|2,0,0]=4 5881 B9R0.20 CCCSCC(C)(C)OC 62a_100000210303_100000701081 [0,2,0,0,0,0|2,0,0]=4 5882 B9R0.20 CCCSCC(C)(C)OC 62a_100000701081_100000210303 [0,2,0,0,0,0|2,0,0]=4 5883 B9R0.20 CCOCSC(C)(C)CC 62a_100000032637_100000739092 [0,2,0,0,0,0|2,0,0]=4 5884 B9R0.20 CCOCSC(C)(C)CC 62a_100000739092_100000032637 [0,2,0,0,0,0|2,0,0]=4 5885 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,2,0,0,0,0|1,0,1]=4 5886 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,2,0,0,0,0|1,0,1]=4 5887 B9R0.24 CCC(C)CNC(C)CC 2230a_100000209981_100000748023 [0,2,0,0,0,0|2,0,0]=4 5888 B9R0.24 CCC(C)CNC(C)CC 2230a_100020588543_100000758301 [0,2,0,0,0,0|2,0,0]=4 5889 B9R0.24 CCC(C)CNC(C)CC 270004a_100000209981_100000243153 [0,2,0,0,0,0|2,0,0]=4 5890 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [0,2,0,0,0,0|1,1,0]=4 5891 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [0,2,0,0,0,0|1,0,0]=3 5892 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [0,2,0,0,0,0|1,0,0]=3 5893 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [0,2,0,0,0,0|2,0,0]=4 5894 B9R0.24 CCC(C)CSC(C)OC 62a_100000748023_100009879195 [0,2,0,0,0,0|2,0,0]=4 5895 B9R0.24 CCC(C)CSC(C)OC 62a_100009879195_100000748023 [0,2,0,0,0,0|2,0,0]=4 5896 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [0,2,0,0,0,0|2,0,0]=4 5897 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [0,2,0,0,0,0|2,0,0]=4 5898 B9R0.24 CCC(C)NC[C@@H](C)CC 2230a_100000209981_100009816398 [0,2,0,0,0,0|2,0,0]=4 5899 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [0,2,0,0,0,0|1,1,0]=4 5900 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [0,2,0,0,0,0|1,1,0]=4 5901 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,2,0,0,0,0|2,0,0]=4 5902 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,2,0,0,0,0|2,0,0]=4 5903 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [0,2,0,0,0,0|1,0,0]=3 5904 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [0,2,0,0,0,0|1,0,0]=3 5905 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [0,2,0,0,0,0|2,0,0]=4 5906 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [0,2,0,0,0,0|2,0,0]=4 5907 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100000758301_100015614560 [0,2,0,0,0,0|2,0,0]=4 5908 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100015614560_100000758301 [0,2,0,0,0,0|2,0,0]=4 5909 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,2,0,0,0,0|2,0,0]=4 5910 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,2,0,0,0,0|2,0,0]=4 5911 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [0,2,0,0,0,0|2,0,0]=4 5912 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [0,2,0,0,0,0|2,0,0]=4 5913 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,2,0,0,0,0|1,1,0]=4 5914 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,2,0,0,0,0|1,0,0]=3 5915 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,2,0,0,0,0|1,0,0]=3 5916 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [0,2,0,0,0,0|2,0,0]=4 5917 B9R0.24 CCC(O)CSC(C)OC 62a_100009879195_100011218378 [0,2,0,0,0,0|2,0,0]=4 5918 B9R0.24 CCC(O)CSC(C)OC 62a_100011218378_100009879195 [0,2,0,0,0,0|2,0,0]=4 5919 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [0,2,0,0,0,0|2,0,0]=4 5920 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [0,2,0,0,0,0|2,0,0]=4 5921 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [0,2,0,0,0,0|2,0,0]=4 5922 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009816398_100009879195 [0,2,0,0,0,0|2,0,0]=4 5923 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009879195_100009816398 [0,2,0,0,0,0|2,0,0]=4 5924 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [0,2,0,0,0,0|2,0,0]=4 5925 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [0,2,0,0,0,0|2,0,0]=4 5926 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,2,0,0,0,0|2,0,0]=4 5927 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,2,0,0,0,0|1,1,0]=4 5928 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,2,0,0,0,0|1,0,1]=4 5929 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,2,0,0,0,0|1,0,1]=4 5930 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,2,0,0,0,0|1,0,1]=4 5931 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,2,0,0,0,0|1,0,1]=4 5932 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,2,0,0,0,0|2,0,0]=4 5933 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,2,0,0,0,0|2,0,0]=4 5934 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,2,0,0,0,0|1,1,0]=4 5935 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,2,0,0,0,0|1,0,1]=4 5936 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,2,0,0,0,0|1,0,1]=4 5937 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,2,0,0,0,0|1,0,1]=4 5938 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,2,0,0,0,0|2,0,0]=4 5939 B9R0.50 C#CC(CC)OCCCC 34a_100000758843_100000210210 [0,2,0,0,0,0|1,1,0]=4 5940 B9R0.50 C#CC(CC)OCCCC 7a_100000758843_100000210211 [0,2,0,0,0,0|1,1,0]=4 5941 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [0,2,0,0,0,0|1,1,0]=4 5942 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [0,2,0,0,0,0|1,1,0]=4 5943 B9R0.50 CCC(CC)CSCCF 62a_100011215472_100011217306 [0,2,0,0,0,0|2,0,0]=4 5944 B9R0.50 CCC(CC)CSCCF 62a_100011217306_100011215472 [0,2,0,0,0,0|2,0,0]=4 5945 B9R0.50 CCC(CC)CSCCO 62a_100000211926_100011215472 [0,2,0,0,0,0|2,0,0]=4 5946 B9R0.50 CCC(CC)CSCCO 62a_100011215472_100000211926 [0,2,0,0,0,0|2,0,0]=4 5947 B9R0.50 CCC(CC)CSCOC 62a_100000766300_100011215472 [0,2,0,0,0,0|2,0,0]=4 5948 B9R0.50 CCC(CC)CSCOC 62a_100011215472_100000766300 [0,2,0,0,0,0|2,0,0]=4 5949 B9R0.50 CCC(CC)CSCSC 62a_100011215472_100011218213 [0,2,0,0,0,0|2,0,0]=4 5950 B9R0.50 CCC(CC)CSCSC 62a_100011218213_100011215472 [0,2,0,0,0,0|2,0,0]=4 5951 B9R0.50 CCC(CC)SCCCF 62a_100000210505_100011934791 [0,2,0,0,0,0|2,0,0]=4 5952 B9R0.50 CCC(CC)SCCCF 62a_100011934791_100000210505 [0,2,0,0,0,0|2,0,0]=4 5953 B9R0.50 CCC(CC)SCCCO 62a_100000210505_100011215043 [0,2,0,0,0,0|2,0,0]=4 5954 B9R0.50 CCC(CC)SCCCO 62a_100011215043_100000210505 [0,2,0,0,0,0|2,0,0]=4 5955 B9R0.50 CCC(CC)SCCOC 62a_100000210505_100000233755 [0,2,0,0,0,0|2,0,0]=4 5956 B9R0.50 CCC(CC)SCCOC 62a_100000233755_100000210505 [0,2,0,0,0,0|2,0,0]=4 5957 B9R0.50 CCC(CC)SCCSC 62a_100000210505_100000751147 [0,2,0,0,0,0|2,0,0]=4 5958 B9R0.50 CCC(CC)SCCSC 62a_100000212216_100000210505 [0,2,0,0,0,0|2,0,0]=4 5959 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [0,2,0,0,0,0|2,0,0]=4 5960 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [0,2,0,0,0,0|2,0,0]=4 5961 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [0,2,0,0,0,0|2,0,0]=4 5962 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [0,2,0,0,0,0|2,0,0]=4 5963 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [0,2,0,0,0,0|2,0,0]=4 5964 B9R0.50 CCCCNC(CC)CC 2230a_100000199018_100000210211 [0,2,0,0,0,0|2,0,0]=4 5965 B9R0.50 CCCCNC(CC)CC 270004a_100000102301_100000210860 [0,2,0,0,0,0|2,0,0]=4 5966 B9R0.50 CCCCNC(CC)CC 7a_106832991798_100000210505 [0,2,0,0,0,0|2,0,0]=4 5967 B9R0.50 CCCCN[C@@H](CC)CO 2230a_100000709445_100000210211 [0,2,0,0,0,0|2,0,0]=4 5968 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [0,2,0,0,0,0|1,1,0]=4 5969 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [0,2,0,0,0,0|1,1,0]=4 5970 B9R0.50 CCCCSC(CC)CC 62a_100000210211_100000210505 [0,2,0,0,0,0|1,0,0]=3 5971 B9R0.50 CCCCSC(CC)CC 62a_100000210505_100000210210 [0,2,0,0,0,0|1,0,0]=3 5972 B9R0.50 CCCNCC(CC)CC 2230a_100102946423_100000210303 [0,2,0,0,0,0|2,0,0]=4 5973 B9R0.50 CCCNCC(CC)CC 269862a_100020643023_100000211137 [0,2,0,0,0,0|2,0,0]=4 5974 B9R0.50 CCCNCC(CC)CC 270004a_100020643023_100000211137 [0,2,0,0,0,0|2,0,0]=4 5975 B9R0.50 CCCOCC(CC)CC 34a_100000210258_100011215472 [0,2,0,0,0,0|1,1,0]=4 5976 B9R0.50 CCCOCC(CC)CC 7a_100000703878_100000210303 [0,2,0,0,0,0|1,1,0]=4 5977 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [0,2,0,0,0,0|1,1,0]=4 5978 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [0,2,0,0,0,0|1,1,0]=4 5979 B9R0.50 CCCSCC(CC)CC 62a_100000210303_100011215472 [0,2,0,0,0,0|1,0,0]=3 5980 B9R0.50 CCCSCC(CC)CC 62a_100011215472_100000210303 [0,2,0,0,0,0|1,0,0]=3 5981 B9R0.50 CCCSCC(OC)OC 62a_100000210303_100000751394 [0,2,0,0,0,0|2,0,0]=4 5982 B9R0.50 CCCSCC(OC)OC 62a_100000751394_100000210303 [0,2,0,0,0,0|2,0,0]=4 5983 B9R0.50 CCOCSC(CC)CC 62a_100000210505_100000739092 [0,2,0,0,0,0|2,0,0]=4 5984 B9R0.50 CCOCSC(CC)CC 62a_100000739092_100000210505 [0,2,0,0,0,0|2,0,0]=4 5985 B9R0.38 CC(C)(C)CCSCCF 62a_100000755188_100011217306 [0,2,0,0,0,0|2,0,0]=4 5986 B9R0.38 CC(C)(C)CCSCCF 62a_100011217306_100000755188 [0,2,0,0,0,0|2,0,0]=4 5987 B9R0.38 CC(C)(C)CCSCCO 62a_100000211926_100000755188 [0,2,0,0,0,0|2,0,0]=4 5988 B9R0.38 CC(C)(C)CCSCCO 62a_100000755188_100000211926 [0,2,0,0,0,0|2,0,0]=4 5989 B9R0.38 CC(C)(C)CSCCCF 62a_100011219605_100011934791 [0,2,0,0,0,0|2,0,0]=4 5990 B9R0.38 CC(C)(C)CSCCCF 62a_100011934791_100011219605 [0,2,0,0,0,0|2,0,0]=4 5991 B9R0.38 CC(C)(C)CSCCCO 62a_100011215043_100011219605 [0,2,0,0,0,0|2,0,0]=4 5992 B9R0.38 CC(C)(C)CSCCCO 62a_100011219605_100011215043 [0,2,0,0,0,0|2,0,0]=4 5993 B9R0.38 CC(C)(F)CSCCCF 62a_100011934791_100011997219 [0,2,0,0,0,0|2,0,0]=4 5994 B9R0.38 CC(C)(F)CSCCCF 62a_100011997219_100011934791 [0,2,0,0,0,0|2,0,0]=4 5995 B9R0.38 CC(C)(F)CSCCCO 62a_100011215043_100011997219 [0,2,0,0,0,0|2,0,0]=4 5996 B9R0.38 CC(C)(F)CSCCCO 62a_100011997219_100011215043 [0,2,0,0,0,0|2,0,0]=4 5997 B9R0.38 CC(C)(O)CCSCCF 62a_100000702414_100011217306 [0,2,0,0,0,0|2,0,0]=4 5998 B9R0.38 CC(C)(O)CCSCCF 62a_100011217306_100000702414 [0,2,0,0,0,0|2,0,0]=4 5999 B9R0.38 CC(C)(O)CCSCCO 62a_100000211926_100000702414 [0,2,0,0,0,0|2,0,0]=4 6000 B9R0.38 CC(C)(O)CCSCCO 62a_100000702414_100000211926 [0,2,0,0,0,0|2,0,0]=4 6001 B9R0.38 CC(C)(O)CSCCCF 62a_100000764493_100011934791 [0,2,0,0,0,0|2,0,0]=4 6002 B9R0.38 CC(C)(O)CSCCCF 62a_100011934791_100000764493 [0,2,0,0,0,0|2,0,0]=4 6003 B9R0.38 CC(C)(O)CSCCCO 62a_100000764493_100011215043 [0,2,0,0,0,0|2,0,0]=4 6004 B9R0.38 CC(C)(O)CSCCCO 62a_100011215043_100000764493 [0,2,0,0,0,0|2,0,0]=4 6005 B9R0.38 CCCCNCC(C)(C)C 2230a_100000743828_100000210211 [0,2,0,0,0,0|2,0,0]=4 6006 B9R0.38 CCCCNCC(C)(C)C 270004a_100000102301_100011204126 [0,2,0,0,0,0|2,0,0]=4 6007 B9R0.38 CCCCNCC(C)(C)F 2230a_100020643315_100000210211 [0,2,0,0,0,0|2,0,0]=4 6008 B9R0.38 CCCCNCC(C)(C)O 2230a_100000751335_100000210211 [0,2,0,0,0,0|2,0,0]=4 6009 B9R0.38 CCCCNCC(C)(C)O 7a_106832991798_100000764493 [0,2,0,0,0,0|2,0,0]=4 6010 B9R0.38 CCCCOCC(C)(C)C 34a_100000210227_100011219605 [0,2,0,0,0,0|1,1,0]=4 6011 B9R0.38 CCCCOCC(C)(C)F 34a_100000210227_100011997219 [0,2,0,0,0,0|1,1,0]=4 6012 B9R0.38 CCCCOCC(C)(C)F 34a_100000716592_100000210210 [0,2,0,0,0,0|1,1,0]=4 6013 B9R0.38 CCCCOCC(C)(C)O 34a_100000210227_100000764493 [0,2,0,0,0,0|1,1,0]=4 6014 B9R0.38 CCCCOCC(C)(C)O 7a_100000210227_100000764493 [0,2,0,0,0,0|1,1,0]=4 6015 B9R0.38 CCCCOCC(C)(F)F 34a_100000068830_100000210210 [0,2,0,0,0,0|1,1,0]=4 6016 B9R0.38 CCCCSCC(C)(C)C 62a_100000210211_100011219605 [0,2,0,0,0,0|1,0,0]=3 6017 B9R0.38 CCCCSCC(C)(C)C 62a_100011219605_100000210210 [0,2,0,0,0,0|1,0,0]=3 6018 B9R0.38 CCCCSCC(C)(C)F 62a_100000210211_100011997219 [0,2,0,0,0,0|1,0,0]=3 6019 B9R0.38 CCCCSCC(C)(C)F 62a_100011997219_100000210210 [0,2,0,0,0,0|1,0,0]=3 6020 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [0,2,0,0,0,0|1,0,0]=3 6021 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [0,2,0,0,0,0|1,0,0]=3 6022 B9R0.38 CCCCSCC(F)(F)F 62a_100000210211_100000763148 [0,2,0,0,0,0|2,0,0]=4 6023 B9R0.38 CCCCSCC(F)(F)F 62a_100000763148_100000210210 [0,2,0,0,0,0|2,0,0]=4 6024 B9R0.38 CCCCSC[N+](C)(C)C 62a_100000210211_200000036245 [0,2,0,0,0,0|2,0,0]=4 6025 B9R0.38 CCCCSC[N+](C)(C)C 62a_200000036245_100000210210 [0,2,0,0,0,0|2,0,0]=4 6026 B9R0.38 CCCCSC[Si](C)(C)C 62a_100000037933_100000210210 [0,2,0,0,0,0|1,1,0]=4 6027 B9R0.38 CCCCSC[Si](C)(C)C 62a_100000210211_100000037933 [0,2,0,0,0,0|1,1,0]=4 6028 B9R0.38 CCCNCCC(C)(C)C 2230a_100000738805_100000210303 [0,2,0,0,0,0|2,0,0]=4 6029 B9R0.38 CCCNCCC(C)(C)F 2230a_100016253952_100000210303 [0,2,0,0,0,0|2,0,0]=4 6030 B9R0.38 CCCOCCC(C)(C)C 34a_100000210258_100000755188 [0,2,0,0,0,0|1,1,0]=4 6031 B9R0.38 CCCOCCC(C)(C)C 7a_100000765024_100000210303 [0,2,0,0,0,0|1,1,0]=4 6032 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [0,2,0,0,0,0|1,1,0]=4 6033 B9R0.38 CCCSCCC(C)(C)C 62a_100000210303_100000755188 [0,2,0,0,0,0|1,0,0]=3 6034 B9R0.38 CCCSCCC(C)(C)C 62a_100000755188_100000210303 [0,2,0,0,0,0|1,0,0]=3 6035 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [0,2,0,0,0,0|1,0,0]=3 6036 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [0,2,0,0,0,0|1,0,0]=3 6037 B9R0.38 CCCSCCC(F)(F)F 62a_100000210303_100011219754 [0,2,0,0,0,0|2,0,0]=4 6038 B9R0.38 CCCSCCC(F)(F)F 62a_100011219754_100000210303 [0,2,0,0,0,0|2,0,0]=4 6039 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000210303_100000230027 [0,2,0,0,0,0|2,0,0]=4 6040 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000731031_100000210303 [0,2,0,0,0,0|2,0,0]=4 6041 B9R0.38 CCCSCC[N+](C)(C)C 62a_100000085578_100000210303 [0,2,0,0,0,0|2,0,0]=4 6042 B9R0.38 CCCSCC[N+](C)(C)C 62a_100000210303_100000085578 [0,2,0,0,0,0|2,0,0]=4 6043 B9R0.38 CCCSCC[Si](C)(C)C 62a_100000210303_200000733723 [0,2,0,0,0,0|1,1,0]=4 6044 B9R0.38 CCCSCC[Si](C)(C)C 62a_200000733723_100000210303 [0,2,0,0,0,0|1,1,0]=4 6045 B9R0.38 CCOCSCC(C)(C)C 62a_100000739092_100011219605 [0,2,0,0,0,0|2,0,0]=4 6046 B9R0.38 CCOCSCC(C)(C)C 62a_100011219605_100000739092 [0,2,0,0,0,0|2,0,0]=4 6047 B9R0.38 CCOCSCC(C)(C)F 62a_100000739092_100011997219 [0,2,0,0,0,0|2,0,0]=4 6048 B9R0.38 CCOCSCC(C)(C)F 62a_100011997219_100000739092 [0,2,0,0,0,0|2,0,0]=4 6049 B9R0.38 CCOCSCC(C)(C)O 62a_100000739092_100000764493 [0,2,0,0,0,0|2,0,0]=4 6050 B9R0.38 CCOCSCC(C)(C)O 62a_100000764493_100000739092 [0,2,0,0,0,0|2,0,0]=4 6051 B9R0.38 COCCSCC(C)(C)C 62a_100000233755_100011219605 [0,2,0,0,0,0|2,0,0]=4 6052 B9R0.38 COCCSCC(C)(C)C 62a_100011219605_100000233755 [0,2,0,0,0,0|2,0,0]=4 6053 B9R0.38 COCCSCC(C)(C)F 62a_100000233755_100011997219 [0,2,0,0,0,0|2,0,0]=4 6054 B9R0.38 COCCSCC(C)(C)F 62a_100011997219_100000233755 [0,2,0,0,0,0|2,0,0]=4 6055 B9R0.38 COCCSCC(C)(C)O 62a_100000233755_100000764493 [0,2,0,0,0,0|2,0,0]=4 6056 B9R0.38 COCCSCC(C)(C)O 62a_100000764493_100000233755 [0,2,0,0,0,0|2,0,0]=4 6057 B9R0.38 COCSCCC(C)(C)C 62a_100000755188_100000766300 [0,2,0,0,0,0|2,0,0]=4 6058 B9R0.38 COCSCCC(C)(C)C 62a_100000766300_100000755188 [0,2,0,0,0,0|2,0,0]=4 6059 B9R0.38 COCSCCC(C)(C)O 62a_100000702414_100000766300 [0,2,0,0,0,0|2,0,0]=4 6060 B9R0.38 COCSCCC(C)(C)O 62a_100000766300_100000702414 [0,2,0,0,0,0|2,0,0]=4 6061 B9R0.38 CSCCSCC(C)(C)C 62a_100000212216_100011219605 [0,2,0,0,0,0|2,0,0]=4 6062 B9R0.38 CSCCSCC(C)(C)C 62a_100011219605_100000751147 [0,2,0,0,0,0|2,0,0]=4 6063 B9R0.38 CSCCSCC(C)(C)F 62a_100000212216_100011997219 [0,2,0,0,0,0|2,0,0]=4 6064 B9R0.38 CSCCSCC(C)(C)F 62a_100011997219_100000751147 [0,2,0,0,0,0|2,0,0]=4 6065 B9R0.38 CSCCSCC(C)(C)O 62a_100000212216_100000764493 [0,2,0,0,0,0|2,0,0]=4 6066 B9R0.38 CSCCSCC(C)(C)O 62a_100000764493_100000751147 [0,2,0,0,0,0|2,0,0]=4 6067 B9R0.38 CSCSCCC(C)(C)C 62a_100000755188_100011218213 [0,2,0,0,0,0|2,0,0]=4 6068 B9R0.38 CSCSCCC(C)(C)C 62a_100011218213_100000755188 [0,2,0,0,0,0|2,0,0]=4 6069 B9R0.38 CSCSCCC(C)(C)O 62a_100000702414_100011218213 [0,2,0,0,0,0|2,0,0]=4 6070 B9R0.38 CSCSCCC(C)(C)O 62a_100011218213_100000702414 [0,2,0,0,0,0|2,0,0]=4 6071 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,2,0,0,0,0|1,0,1]=4 6072 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,2,0,0,0,0|1,0,1]=4 6073 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [0,2,0,0,0,0|1,0,1]=4 6074 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [0,2,0,0,0,0|1,0,1]=4 6075 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [0,2,0,0,0,0|1,0,1]=4 6076 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [0,2,0,0,0,0|1,0,1]=4 6077 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,2,0,0,0,0|1,0,1]=4 6078 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,2,0,0,0,0|1,0,1]=4 6079 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,2,0,0,0,0|1,0,1]=4 6080 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,2,0,0,0,0|1,0,1]=4 6081 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,2,0,0,0,0|1,0,1]=4 6082 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,2,0,0,0,0|1,0,1]=4 6083 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,2,0,0,0,0|1,0,1]=4 6084 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,2,0,0,0,0|1,0,1]=4 6085 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,2,0,0,0,0|1,0,1]=4 6086 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,2,0,0,0,0|1,0,1]=4 6087 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [0,2,0,0,0,0|1,1,0]=4 6088 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [0,2,0,0,0,0|2,0,0]=4 6089 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [0,2,0,0,0,0|2,0,0]=4 6090 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [0,2,0,0,0,0|2,0,0]=4 6091 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [0,2,0,0,0,0|2,0,0]=4 6092 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [0,2,0,0,0,0|2,0,0]=4 6093 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [0,2,0,0,0,0|2,0,0]=4 6094 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [0,2,0,0,0,0|2,0,0]=4 6095 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [0,2,0,0,0,0|1,1,0]=4 6096 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,2,0,0,0,0|1,1,0]=4 6097 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,2,0,0,0,0|1,1,0]=4 6098 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,2,0,0,0,0|1,1,0]=4 6099 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [0,2,0,0,0,0|1,1,0]=4 6100 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,2,0,0,0,0|1,1,0]=4 6101 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,2,0,0,0,0|1,1,0]=4 6102 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [0,2,0,0,0,0|1,1,0]=4 6103 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [0,2,0,0,0,0|1,1,0]=4 6104 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,2,0,0,0,0|1,1,0]=4 6105 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,2,0,0,0,0|1,1,0]=4 6106 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [0,2,0,0,0,0|1,0,0]=3 6107 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [0,2,0,0,0,0|1,0,0]=3 6108 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,2,0,0,0,0|1,0,0]=3 6109 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,2,0,0,0,0|1,0,0]=3 6110 B9R0.55 CC(C)CCSCC(F)F 62a_100000210312_100011934356 [0,2,0,0,0,0|2,0,0]=4 6111 B9R0.55 CC(C)CCSCC(F)F 62a_100011934356_100000210312 [0,2,0,0,0,0|2,0,0]=4 6112 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,2,0,0,0,0|1,0,0]=3 6113 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,2,0,0,0,0|1,0,0]=3 6114 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,2,0,0,0,0|2,0,0]=4 6115 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,2,0,0,0,0|2,0,0]=4 6116 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,2,0,0,0,0|2,0,0]=4 6117 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,2,0,0,0,0|2,0,0]=4 6118 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [0,2,0,0,0,0|1,1,0]=4 6119 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,2,0,0,0,0|1,1,0]=4 6120 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [0,2,0,0,0,0|1,1,0]=4 6121 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,2,0,0,0,0|1,0,0]=3 6122 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,2,0,0,0,0|1,0,0]=3 6123 B9R0.55 CC(C)CSCCN(C)C 62a_100000210624_100000755713 [0,2,0,0,0,0|2,0,0]=4 6124 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [0,2,0,0,0,0|2,0,0]=4 6125 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [0,2,0,0,0,0|2,0,0]=4 6126 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [0,2,0,0,0,0|2,0,0]=4 6127 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [0,2,0,0,0,0|2,0,0]=4 6128 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,2,0,0,0,0|2,0,0]=4 6129 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,2,0,0,0,0|2,0,0]=4 6130 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,2,0,0,0,0|2,0,0]=4 6131 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,2,0,0,0,0|2,0,0]=4 6132 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [0,2,0,0,0,0|1,1,0]=4 6133 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [0,2,0,0,0,0|1,1,0]=4 6134 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [0,2,0,0,0,0|1,1,0]=4 6135 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [0,2,0,0,0,0|1,1,0]=4 6136 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [0,2,0,0,0,0|1,0,0]=3 6137 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [0,2,0,0,0,0|1,0,0]=3 6138 B9R0.55 CC(O)CCSCC(F)F 62a_100011934356_100012276601 [0,2,0,0,0,0|2,0,0]=4 6139 B9R0.55 CC(O)CCSCC(F)F 62a_100012276601_100011934356 [0,2,0,0,0,0|2,0,0]=4 6140 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [0,2,0,0,0,0|1,0,0]=3 6141 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [0,2,0,0,0,0|1,0,0]=3 6142 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [0,2,0,0,0,0|1,1,0]=4 6143 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [0,2,0,0,0,0|1,1,0]=4 6144 B9R0.55 CC(O)CSCCN(C)C 62a_100011218427_100000755713 [0,2,0,0,0,0|2,0,0]=4 6145 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [0,2,0,0,0,0|2,0,0]=4 6146 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [0,2,0,0,0,0|2,0,0]=4 6147 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [0,2,0,0,0,0|1,1,0]=4 6148 B9R0.55 C[C@@H](O)CSCCN(C)C 62a_100009817552_100000755713 [0,2,0,0,0,0|2,0,0]=4 6149 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [1,0,0,1,0,0|2,0,0]=4 6150 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [1,0,0,1,0,0|2,0,0]=4 6151 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [1,0,0,1,0,0|2,0,0]=4 6152 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [1,0,0,1,0,0|2,0,0]=4 6153 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,1,0,0|2,0,0]=4 6154 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,1,0,0|2,0,0]=4 6155 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,1,0,0|2,0,0]=4 6156 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,1,0,0|2,0,0]=4 6157 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,1,0,0|2,0,0]=4 6158 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,1,0,0|2,0,0]=4 6159 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [1,0,0,1,0,0|2,0,0]=4 6160 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,1,0,0|2,0,0]=4 6161 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,1,0,0|2,0,0]=4 6162 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,1,0,0|2,0,0]=4 6163 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,1,0,0|1,1,0]=4 6164 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,0,0,1,0,0|2,0,0]=4 6165 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,1,0,0|2,0,0]=4 6166 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,1,0,0|2,0,0]=4 6167 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,1,0,0|2,0,0]=4 6168 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,1,0,0|2,0,0]=4 6169 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,1,0,0|2,0,0]=4 6170 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,1,0,0|2,0,0]=4 6171 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,1,0,0|1,1,0]=4 6172 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,0,0,1,0,0|2,0,0]=4 6173 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,1,0,0|2,0,0]=4 6174 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,1,0,0|2,0,0]=4 6175 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [1,0,0,1,0,0|1,1,0]=4 6176 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [1,0,0,1,0,0|1,1,0]=4 6177 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [1,0,0,1,0,0|1,1,0]=4 6178 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [1,0,0,1,0,0|2,0,0]=4 6179 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [1,0,0,1,0,0|2,0,0]=4 6180 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [1,0,0,1,0,0|1,1,0]=4 6181 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [1,0,0,1,0,0|1,1,0]=4 6182 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [1,0,0,1,0,0|1,1,0]=4 6183 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [1,0,0,1,0,0|2,0,0]=4 6184 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [1,0,0,1,0,0|2,0,0]=4 6185 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [1,0,0,1,0,0|2,0,0]=4 6186 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [1,0,0,1,0,0|2,0,0]=4 6187 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [1,0,0,1,0,0|2,0,0]=4 6188 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [1,0,0,1,0,0|2,0,0]=4 6189 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [1,0,0,1,0,0|2,0,0]=4 6190 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [1,0,0,1,0,0|2,0,0]=4 6191 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 6192 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 6193 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 6194 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 6195 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 6196 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 6197 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 6198 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 6199 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 6200 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 6201 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 6202 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 6203 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 6204 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 6205 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [1,0,0,1,0,0|1,0,0]=3 6206 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [1,0,0,1,0,0|2,0,0]=4 6207 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [1,0,0,1,0,0|2,0,0]=4 6208 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [1,0,0,1,0,0|2,0,0]=4 6209 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|1,1,0]=4 6210 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|1,1,0]=4 6211 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [1,0,0,1,0,0|1,0,0]=3 6212 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [1,0,0,1,0,0|2,0,0]=4 6213 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [1,0,0,1,0,0|2,0,0]=4 6214 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [1,0,0,1,0,0|2,0,0]=4 6215 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [1,0,0,1,0,0|2,0,0]=4 6216 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [1,0,0,1,0,0|2,0,0]=4 6217 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [1,0,0,1,0,0|2,0,0]=4 6218 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [1,0,0,1,0,0|2,0,0]=4 6219 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [1,0,0,1,0,0|2,0,0]=4 6220 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [1,0,0,1,0,0|2,0,0]=4 6221 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [1,0,0,1,0,0|2,0,0]=4 6222 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [1,0,0,1,0,0|2,0,0]=4 6223 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [1,0,0,1,0,0|2,0,0]=4 6224 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [1,0,0,1,0,0|2,0,0]=4 6225 B7R1.6 FCCN1CCC1 269982a_100000754969_100011217306 [1,0,0,1,0,0|2,0,0]=4 6226 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [1,0,0,1,0,0|2,0,0]=4 6227 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [1,0,0,1,0,0|2,0,0]=4 6228 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [1,0,0,1,0,0|2,0,0]=4 6229 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [1,0,0,1,0,0|2,0,0]=4 6230 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [1,0,0,1,0,0|2,0,0]=4 6231 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [1,0,0,1,0,0|2,0,0]=4 6232 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [1,0,0,1,0,0|2,0,0]=4 6233 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [1,0,0,1,0,0|1,1,0]=4 6234 B7R1.7 C#CCSC1CC1 62a_100000038162_100000211595 [1,0,0,1,0,0|0,0,2]=4 6235 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [1,0,0,1,0,0|0,0,2]=4 6236 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [1,0,0,1,0,0|1,0,0]=3 6237 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [1,0,0,1,0,0|0,1,0]=3 6238 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [1,0,0,1,0,0|0,0,0]=2 6239 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [1,0,0,1,0,0|2,0,0]=4 6240 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [1,0,0,1,0,0|2,0,0]=4 6241 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [1,0,0,1,0,0|2,0,0]=4 6242 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [1,0,0,1,0,0|2,0,0]=4 6243 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|1,1,0]=4 6244 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|1,1,0]=4 6245 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [1,0,0,1,0,0|1,0,0]=3 6246 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [1,0,0,1,0,0|1,0,0]=3 6247 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [1,0,0,1,0,0|2,0,0]=4 6248 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [1,0,0,1,0,0|2,0,0]=4 6249 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [1,0,0,1,0,0|2,0,0]=4 6250 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [1,0,0,1,0,0|2,0,0]=4 6251 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [1,0,0,1,0,0|2,0,0]=4 6252 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [1,0,0,1,0,0|2,0,0]=4 6253 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [1,0,0,1,0,0|2,0,0]=4 6254 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [1,0,0,1,0,0|2,0,0]=4 6255 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [1,0,0,1,0,0|2,0,0]=4 6256 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [1,0,0,1,0,0|2,0,0]=4 6257 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [1,0,0,1,0,0|2,0,0]=4 6258 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [1,0,0,1,0,0|2,0,0]=4 6259 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [1,0,0,1,0,0|2,0,0]=4 6260 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [1,0,0,1,0,0|1,0,0]=3 6261 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|2,0,0]=4 6262 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|2,0,0]=4 6263 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [1,0,0,1,0,0|2,0,0]=4 6264 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [1,0,0,1,0,0|1,0,0]=3 6265 B7R1.7 FCCNC1CC1 34a_100000212008_100011217306 [1,0,0,1,0,0|2,0,0]=4 6266 B7R1.7 FCCNC1CC1 34a_100000724931_100000211595 [1,0,0,1,0,0|2,0,0]=4 6267 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [1,0,0,1,0,0|1,0,0]=3 6268 B7R1.7 FCSCC1CC1 62a_100000756562_100015361967 [1,0,0,1,0,0|2,0,0]=4 6269 B7R1.7 FCSCC1CC1 62a_100015361967_100000742324 [1,0,0,1,0,0|2,0,0]=4 6270 B7R1.7 N#CCSC1CC1 62a_100011215382_100000211595 [1,0,0,1,0,0|1,0,1]=4 6271 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [1,0,0,1,0,0|1,1,0]=4 6272 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [1,0,0,1,0,0|1,0,1]=4 6273 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [1,0,0,1,0,0|2,0,0]=4 6274 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [1,0,0,1,0,0|2,0,0]=4 6275 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [1,0,0,1,0,0|1,0,0]=3 6276 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [1,0,0,1,0,0|2,0,0]=4 6277 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [1,0,0,1,0,0|2,0,0]=4 6278 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [1,0,0,1,0,0|2,0,0]=4 6279 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|2,0,0]=4 6280 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|2,0,0]=4 6281 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [1,0,0,1,0,0|2,0,0]=4 6282 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [1,0,0,1,0,0|2,0,0]=4 6283 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,1,0,1,0,0|2,0,0]=4 6284 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,1,0,1,0,0|2,0,0]=4 6285 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [0,1,0,1,0,0|2,0,0]=4 6286 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [0,1,0,1,0,0|2,0,0]=4 6287 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [0,1,0,1,0,0|2,0,0]=4 6288 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,1,0,1,0,0|2,0,0]=4 6289 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,1,0,1,0,0|2,0,0]=4 6290 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,1,0,1,0,0|2,0,0]=4 6291 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [0,1,0,1,0,0|1,1,0]=4 6292 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [0,1,0,1,0,0|1,1,0]=4 6293 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [0,1,0,1,0,0|1,1,0]=4 6294 B9R1.8 CCCN1CCOCC1 2230a_100015191051_100000210303 [0,1,0,1,0,0|2,0,0]=4 6295 B9R1.8 CCCN1CCOCC1 269982a_100015191051_100000210303 [0,1,0,1,0,0|2,0,0]=4 6296 B9R1.8 CCCN1CCOCC1 34a_100015191051_100000210303 [0,1,0,1,0,0|2,0,0]=4 6297 B9R1.8 CCCN1CCSCC1 2230a_100000737611_100000210303 [0,1,0,1,0,0|2,0,0]=4 6298 B9R1.8 CCCN1CCSCC1 269982a_100000737611_100000210303 [0,1,0,1,0,0|2,0,0]=4 6299 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,1,0,1,0,0|2,0,0]=4 6300 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,1,0,1,0,0|2,0,0]=4 6301 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,1,0,1,0,0|2,0,0]=4 6302 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,1,0,1,0,0|2,0,0]=4 6303 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,1,0,1,0,0|1,1,0]=4 6304 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,1,0,1,0,0|1,1,0]=4 6305 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,1,0,1,0,0|1,1,0]=4 6306 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [0,1,0,1,0,0|1,0,0]=3 6307 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,1,0,1,0,0|2,0,0]=4 6308 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,1,0,1,0,0|2,0,0]=4 6309 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,1,0,1,0,0|2,0,0]=4 6310 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,1,0,1,0,0|2,0,0]=4 6311 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,1,0,1,0,0|1,1,0]=4 6312 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,1,0,1,0,0|1,1,0]=4 6313 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,1,0,1,0,0|1,1,0]=4 6314 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,1,0,1,0,0|1,0,0]=3 6315 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [0,1,0,1,0,0|2,0,0]=4 6316 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [0,1,0,1,0,0|2,0,0]=4 6317 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,1,0,1,0,0|2,0,0]=4 6318 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,1,0,1,0,0|2,0,0]=4 6319 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,1,0,1,0,0|1,1,0]=4 6320 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,1,0,1,0,0|2,0,0]=4 6321 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,1,0,1,0,0|2,0,0]=4 6322 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,1,0,1,0,0|2,0,0]=4 6323 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,1,0,1,0,0|2,0,0]=4 6324 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,1,0,1,0,0|2,0,0]=4 6325 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,1,0,1,0,0|2,0,0]=4 6326 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,1,0,1,0,0|1,1,0]=4 6327 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,1,0,1,0,0|1,1,0]=4 6328 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,1,0,1,0,0|1,1,0]=4 6329 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,1,0,1,0,0|1,1,0]=4 6330 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,1,0,1,0,0|1,1,0]=4 6331 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [0,1,0,1,0,0|1,1,0]=4 6332 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [0,1,0,1,0,0|1,1,0]=4 6333 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [0,1,0,1,0,0|1,1,0]=4 6334 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [0,1,0,1,0,0|1,1,0]=4 6335 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [0,1,0,1,0,0|1,1,0]=4 6336 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,1,0,1,0,0|2,0,0]=4 6337 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,1,0,1,0,0|2,0,0]=4 6338 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,1,0,1,0,0|2,0,0]=4 6339 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,1,0,1,0,0|2,0,0]=4 6340 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,1,0,1,0,0|1,1,0]=4 6341 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,1,0,1,0,0|1,1,0]=4 6342 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,1,0,1,0,0|1,1,0]=4 6343 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,1,0,1,0,0|2,0,0]=4 6344 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,1,0,1,0,0|1,1,0]=4 6345 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,1,0,1,0,0|1,1,0]=4 6346 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,1,0,1,0,0|2,0,0]=4 6347 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,1,0,1,0,0|2,0,0]=4 6348 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,1,0,1,0,0|1,1,0]=4 6349 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,1,0,1,0,0|1,1,0]=4 6350 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,1,0,1,0,0|1,1,0]=4 6351 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,1,0,1,0,0|1,1,0]=4 6352 B9R1.8 FCOC1CCCSC1 7a_100015962668_100015361967 [0,1,0,1,0,0|2,0,0]=4 6353 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,1,0,1,0,0|2,0,0]=4 6354 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,1,0,1,0,0|2,0,0]=4 6355 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,1,0,1,0,0|1,1,0]=4 6356 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,1,0,1,0,0|1,1,0]=4 6357 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [0,1,0,1,0,0|1,1,0]=4 6358 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [0,1,0,1,0,0|1,1,0]=4 6359 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,1,0,1,0,0|2,0,0]=4 6360 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,1,0,1,0,0|2,0,0]=4 6361 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,1,0,1,0,0|2,0,0]=4 6362 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,1,0,1,0,0|1,1,0]=4 6363 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,1,0,1,0,0|1,1,0]=4 6364 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,1,0,1,0,0|2,0,0]=4 6365 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,1,0,1,0,0|1,1,0]=4 6366 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,1,0,1,0,0|2,0,0]=4 6367 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,1,0,1,0,0|2,0,0]=4 6368 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,1,0,1,0,0|1,1,0]=4 6369 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,1,0,1,0,0|1,1,0]=4 6370 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,1,0,1,0,0|1,1,0]=4 6371 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,1,0,1,0,0|1,1,0]=4 6372 B9R1.9 CCCCN1CC(C1)C 2230a_100000702820_100000210211 [0,1,0,1,0,0|2,0,0]=4 6373 B9R1.9 CCCCN1CC(C1)C 269982a_100000702820_100000210211 [0,1,0,1,0,0|2,0,0]=4 6374 B9R1.9 CCCCN1CC(C1)C 34a_100000702820_100000210210 [0,1,0,1,0,0|2,0,0]=4 6375 B9R1.9 CCCCN1CC(C1)F 2230a_100000690557_100000210211 [0,1,0,1,0,0|2,0,0]=4 6376 B9R1.9 CCCCN1CC(C1)F 269982a_100000690557_100000210211 [0,1,0,1,0,0|2,0,0]=4 6377 B9R1.9 CCCCN1CC(C1)F 34a_100000690557_100000210210 [0,1,0,1,0,0|2,0,0]=4 6378 B9R1.9 CCCCN1CC(C1)O 269982a_100000749847_100000210211 [0,1,0,1,0,0|2,0,0]=4 6379 B9R1.9 CCCNC1CC(C1)F 2230a_100016993743_100000210303 [0,1,0,1,0,0|2,0,0]=4 6380 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210303 [0,1,0,1,0,0|2,0,0]=4 6381 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,1,0,1,0,0|1,0,1]=4 6382 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [0,1,0,1,0,0|2,0,0]=4 6383 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [0,1,0,1,0,0|2,0,0]=4 6384 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [0,1,0,1,0,0|2,0,0]=4 6385 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [0,1,0,1,0,0|2,0,0]=4 6386 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [0,1,0,1,0,0|2,0,0]=4 6387 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [0,1,0,1,0,0|2,0,0]=4 6388 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [0,1,0,1,0,0|2,0,0]=4 6389 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [0,1,0,1,0,0|2,0,0]=4 6390 B9R1.12 CCCNC1CCSC1 270004a_100020643023_100000212027 [0,1,0,1,0,0|2,0,0]=4 6391 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [0,1,0,1,0,0|2,0,0]=4 6392 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [0,1,0,1,0,0|2,0,0]=4 6393 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [0,1,0,1,0,0|2,0,0]=4 6394 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,1,0,1,0,0|1,1,0]=4 6395 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,1,0,1,0,0|1,1,0]=4 6396 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,1,0,1,0,0|1,1,0]=4 6397 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,1,0,1,0,0|0,2,0]=4 6398 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [0,1,0,1,0,0|1,1,0]=4 6399 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [0,1,0,1,0,0|1,1,0]=4 6400 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [0,1,0,1,0,0|1,1,0]=4 6401 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [0,1,0,1,0,0|1,0,0]=3 6402 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [0,1,0,1,0,0|1,0,0]=3 6403 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [0,1,0,1,0,0|1,0,0]=3 6404 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [0,1,0,1,0,0|2,0,0]=4 6405 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [0,1,0,1,0,0|2,0,0]=4 6406 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [0,1,0,1,0,0|2,0,0]=4 6407 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [0,1,0,1,0,0|2,0,0]=4 6408 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [0,1,0,1,0,0|1,1,0]=4 6409 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [0,1,0,1,0,0|1,1,0]=4 6410 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [0,1,0,1,0,0|1,1,0]=4 6411 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,1,0,1,0,0|2,0,0]=4 6412 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,1,0,1,0,0|2,0,0]=4 6413 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,1,0,1,0,0|2,0,0]=4 6414 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,1,0,1,0,0|1,1,0]=4 6415 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,1,0,1,0,0|1,1,0]=4 6416 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [0,1,0,1,0,0|2,0,0]=4 6417 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [0,1,0,1,0,0|2,0,0]=4 6418 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [0,1,0,1,0,0|2,0,0]=4 6419 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [0,1,0,1,0,0|2,0,0]=4 6420 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,1,0,1,0,0|1,1,0]=4 6421 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,1,0,1,0,0|1,1,0]=4 6422 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [0,1,0,1,0,0|2,0,0]=4 6423 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [0,1,0,1,0,0|2,0,0]=4 6424 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [0,1,0,1,0,0|2,0,0]=4 6425 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [0,1,0,1,0,0|2,0,0]=4 6426 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [0,1,0,1,0,0|2,0,0]=4 6427 B9R1.12 CNCCN1CCCC1 7a_106832991635_100000004467 [0,1,0,1,0,0|2,0,0]=4 6428 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [0,1,0,1,0,0|2,0,0]=4 6429 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [0,1,0,1,0,0|2,0,0]=4 6430 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [0,1,0,1,0,0|2,0,0]=4 6431 B9R1.12 COCCN1CCCC1 2230a_100000188435_100011201679 [0,1,0,1,0,0|2,0,0]=4 6432 B9R1.12 COCCN1CCCC1 269982a_100000188435_100000233755 [0,1,0,1,0,0|2,0,0]=4 6433 B9R1.12 COCSC1CCCC1 62a_100000766300_100000179811 [0,1,0,1,0,0|2,0,0]=4 6434 B9R1.12 COCSC1CCCC1 62a_100011217020_100000766300 [0,1,0,1,0,0|2,0,0]=4 6435 B9R1.12 COCSC1CCOC1 62a_100000766300_100000690089 [0,1,0,1,0,0|2,0,0]=4 6436 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,1,0,1,0,0|2,0,0]=4 6437 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,1,0,1,0,0|2,0,0]=4 6438 B9R1.12 CSCCN1CCCC1 2230a_100000188435_100000751147 [0,1,0,1,0,0|2,0,0]=4 6439 B9R1.12 CSCCN1CCCC1 269982a_100000188435_100000212216 [0,1,0,1,0,0|2,0,0]=4 6440 B9R1.12 CSCCN1CCCC1 62a_100000700749_200000210301 [0,1,0,1,0,0|2,0,0]=4 6441 B9R1.12 CSCCN1CCCC1 62a_200000210301_100000004467 [0,1,0,1,0,0|2,0,0]=4 6442 B9R1.12 CSCSC1CCCC1 62a_100011217020_100011218213 [0,1,0,1,0,0|2,0,0]=4 6443 B9R1.12 CSCSC1CCCC1 62a_100011218213_100000179811 [0,1,0,1,0,0|2,0,0]=4 6444 B9R1.12 CSCSC1CCOC1 62a_100011218213_100000690089 [0,1,0,1,0,0|2,0,0]=4 6445 B9R1.12 FCCCN1CCCC1 2230a_100000188435_100011934791 [0,1,0,1,0,0|2,0,0]=4 6446 B9R1.12 FCCCN1CCCC1 269982a_100000188435_100011934791 [0,1,0,1,0,0|2,0,0]=4 6447 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [0,1,0,1,0,0|2,0,0]=4 6448 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [0,1,0,1,0,0|2,0,0]=4 6449 B9R1.12 FCCSC1CCOC1 62a_100011217306_100000690089 [0,1,0,1,0,0|2,0,0]=4 6450 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [0,1,0,1,0,0|2,0,0]=4 6451 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [0,1,0,1,0,0|2,0,0]=4 6452 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [0,1,0,1,0,0|2,0,0]=4 6453 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [0,1,0,1,0,0|2,0,0]=4 6454 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [0,1,0,1,0,0|2,0,0]=4 6455 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [0,1,0,1,0,0|2,0,0]=4 6456 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [0,1,0,1,0,0|2,0,0]=4 6457 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [0,1,0,1,0,0|2,0,0]=4 6458 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [0,1,0,1,0,0|2,0,0]=4 6459 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,1,0,1,0,0|2,0,0]=4 6460 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,1,0,1,0,0|2,0,0]=4 6461 B9R1.12 [13CH3]SCCN1CCCC1 62a_100000700749_200025704644 [0,1,0,1,0,0|2,0,0]=4 6462 B9R1.12 [13CH3]SCCN1CCCC1 62a_200025704644_100000004467 [0,1,0,1,0,0|2,0,0]=4 6463 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,1,0,1,0,0|2,0,0]=4 6464 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,1,0,1,0,0|2,0,0]=4 6465 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,1,0,1,0,0|2,0,0]=4 6466 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,1,0,1,0,0|2,0,0]=4 6467 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [0,1,0,1,0,0|2,0,0]=4 6468 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [0,1,0,1,0,0|2,0,0]=4 6469 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,1,0,1,0,0|2,0,0]=4 6470 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,1,0,1,0,0|2,0,0]=4 6471 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,1,0,1,0,0|2,0,0]=4 6472 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,1,0,1,0,0|2,0,0]=4 6473 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,1,0,1,0,0|2,0,0]=4 6474 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,1,0,1,0,0|2,0,0]=4 6475 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,1,0,1,0,0|2,0,0]=4 6476 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,1,0,1,0,0|2,0,0]=4 6477 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,1,0,1,0,0|2,0,0]=4 6478 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [0,1,0,1,0,0|1,1,0]=4 6479 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [0,1,0,1,0,0|1,1,0]=4 6480 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [0,1,0,1,0,0|1,1,0]=4 6481 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [0,1,0,1,0,0|1,1,0]=4 6482 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [0,1,0,1,0,0|1,1,0]=4 6483 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [0,1,0,1,0,0|1,1,0]=4 6484 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [0,1,0,1,0,0|1,1,0]=4 6485 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [0,1,0,1,0,0|1,1,0]=4 6486 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [0,1,0,1,0,0|1,1,0]=4 6487 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,1,0,1,0,0|2,0,0]=4 6488 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,1,0,1,0,0|2,0,0]=4 6489 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,1,0,1,0,0|2,0,0]=4 6490 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,1,0,1,0,0|2,0,0]=4 6491 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [0,1,0,1,0,0|2,0,0]=4 6492 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [0,1,0,1,0,0|1,1,0]=4 6493 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,1,0,1,0,0|2,0,0]=4 6494 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,1,0,1,0,0|2,0,0]=4 6495 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [0,1,0,1,0,0|2,0,0]=4 6496 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [0,1,0,1,0,0|2,0,0]=4 6497 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [0,1,0,1,0,0|2,0,0]=4 6498 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [0,1,0,1,0,0|2,0,0]=4 6499 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [0,1,0,1,0,0|2,0,0]=4 6500 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [0,1,0,1,0,0|2,0,0]=4 6501 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [0,1,0,1,0,0|2,0,0]=4 6502 B9R1.33 CCCN1CCSC1C 2230a_200011216479_100000210303 [0,1,0,1,0,0|2,0,0]=4 6503 B9R1.33 CCCN1CCSC1C 269982a_200011216479_100000210303 [0,1,0,1,0,0|2,0,0]=4 6504 B9R1.33 CCCN1CCSC1C 34a_200011216479_100000210303 [0,1,0,1,0,0|2,0,0]=4 6505 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,1,0,1,0,0|2,0,0]=4 6506 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,1,0,1,0,0|2,0,0]=4 6507 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,1,0,1,0,0|2,0,0]=4 6508 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [0,1,0,1,0,0|2,0,0]=4 6509 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 6510 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 6511 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 6512 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 6513 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 6514 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 6515 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,1,0,1,0,0|2,0,0]=4 6516 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,1,0,1,0,0|2,0,0]=4 6517 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,1,0,1,0,0|2,0,0]=4 6518 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,1,0,1,0,0|2,0,0]=4 6519 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,1,0,1,0,0|2,0,0]=4 6520 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,1,0,1,0,0|2,0,0]=4 6521 B9R1.58 CCCN1CC(C1)CC 2230a_100015205115_100000210303 [0,1,0,1,0,0|2,0,0]=4 6522 B9R1.58 CCCN1CC(C1)CC 269982a_100015205115_100000210303 [0,1,0,1,0,0|2,0,0]=4 6523 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,1,0,0|2,0,0]=4 6524 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,1,0,0|2,0,0]=4 6525 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 6526 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 6527 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 6528 B9R1.73 CCCC(C)N1CCC1 269982a_100000754969_100000766640 [0,1,0,1,0,0|2,0,0]=4 6529 B9R1.73 CCCN(C)C1CCC1 2230a_100000758072_100000210303 [0,1,0,1,0,0|2,0,0]=4 6530 B9R1.73 CCCN(C)C1CCC1 269982a_100000747261_100000749161 [0,1,0,1,0,0|2,0,0]=4 6531 B9R1.73 CCCN(C)C1CCC1 269982a_100000758072_100000210303 [0,1,0,1,0,0|2,0,0]=4 6532 B9R1.73 CCCN(C)C1CCC1 270004a_100000747261_100000241760 [0,1,0,1,0,0|2,0,0]=4 6533 B9R1.73 CCCN(C)C1CCC1 34a_100000758072_100000210303 [0,1,0,1,0,0|2,0,0]=4 6534 B9R1.75 CC(CCO)SC1CC1 62a_100009893172_100000211595 [0,1,0,1,0,0|2,0,0]=4 6535 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,1,0,1,0,0|2,0,0]=4 6536 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,1,0,1,0,0|2,0,0]=4 6537 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 6538 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 6539 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 6540 B9R1.75 CCCC(C)NC1CC1 34a_100000212008_100000766640 [0,1,0,1,0,0|2,0,0]=4 6541 B9R1.75 CCCC(C)OC1CC1 34a_100000764384_100000211595 [0,1,0,1,0,0|1,1,0]=4 6542 B9R1.75 CCCC(C)SC1CC1 62a_100000766640_100000211595 [0,1,0,1,0,0|1,0,0]=3 6543 B9R1.75 CCCN(C)CC1CC1 2230a_100000210729_200000210301 [0,1,0,1,0,0|2,0,0]=4 6544 B9R1.75 CCCN(C)CC1CC1 2230a_100000741881_100000210303 [0,1,0,1,0,0|2,0,0]=4 6545 B9R1.75 CCCN(C)CC1CC1 2230a_100000747261_100000742324 [0,1,0,1,0,0|2,0,0]=4 6546 B9R1.75 CCCN(C)CC1CC1 269982a_100000210729_200000210301 [0,1,0,1,0,0|2,0,0]=4 6547 B9R1.75 CCCN(C)CC1CC1 269982a_100000741881_100000210303 [0,1,0,1,0,0|2,0,0]=4 6548 B9R1.75 CCCN(C)CC1CC1 269982a_100000747261_100000756562 [0,1,0,1,0,0|2,0,0]=4 6549 B9R1.75 CCCN(C)CC1CC1 34a_100000210729_200000210301 [0,1,0,1,0,0|2,0,0]=4 6550 B9R1.75 CCCN([13CH3])CC1CC1 2230a_100000210729_200025704644 [0,1,0,1,0,0|2,0,0]=4 6551 B9R1.75 CCCN([13CH3])CC1CC1 269982a_100000210729_200025704644 [0,1,0,1,0,0|2,0,0]=4 6552 B9R1.75 CCCN([13CH3])CC1CC1 34a_100000210729_200025704644 [0,1,0,1,0,0|2,0,0]=4 6553 B9R1.75 COCC(C)SC1CC1 62a_100000765312_100000211595 [0,1,0,1,0,0|2,0,0]=4 6554 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,1,0,1,0,0|2,0,0]=4 6555 B9R1.100 CCCCN(C)C1CC1 2230a_100000226674_100000210211 [0,1,0,1,0,0|2,0,0]=4 6556 B9R1.100 CCCCN(C)C1CC1 269982a_100000207549_100000211595 [0,1,0,1,0,0|2,0,0]=4 6557 B9R1.100 CCCCN(C)C1CC1 269982a_100000226674_100000210211 [0,1,0,1,0,0|2,0,0]=4 6558 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 6559 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 6560 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 6561 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 6562 B9R1.100 CCCNC(C)C1CC1 2230a_100000700016_100000210303 [0,1,0,1,0,0|2,0,0]=4 6563 B9R1.100 CCCNC(C)C1CC1 269862a_100020643023_100000210639 [0,1,0,1,0,0|2,0,0]=4 6564 B9R1.100 CCCNC(C)C1CC1 34a_100000700016_100000210303 [0,1,0,1,0,0|2,0,0]=4 6565 B9R1.100 CCCOC(C)C1CC1 34a_100000744524_100000210303 [0,1,0,1,0,0|1,1,0]=4 6566 B9R1.100 CCCOC(C)C1CC1 7a_100000744524_100000210303 [0,1,0,1,0,0|1,1,0]=4 6567 B9R1.117 CCCNC1(CCC1)C 2230a_100000692455_100000210303 [0,1,0,1,0,0|2,0,0]=4 6568 B9R1.117 CCCNC1(CCC1)C 34a_100000692455_100000210303 [0,1,0,1,0,0|2,0,0]=4 6569 B9R1.117 CCCOC1(CCC1)C 34a_100000759064_100000210303 [0,1,0,1,0,0|1,1,0]=4 6570 B9R1.117 CCCOC1(CCC1)C 7a_100000759064_100000210303 [0,1,0,1,0,0|1,1,0]=4 6571 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,1,0,1,0,0|2,0,0]=4 6572 B9R1.14 CCC1C=CCN1CC 2230a_100000730860_100000210202 [0,1,0,1,0,0|2,0,0]=4 6573 B9R1.14 CCC1C=CCN1CC 269982a_100000730860_100000204670 [0,1,0,1,0,0|2,0,0]=4 6574 B9R1.14 CCC1C=CCN1CC 34a_100000730860_100000210202 [0,1,0,1,0,0|2,0,0]=4 6575 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [0,1,0,1,0,0|2,0,0]=4 6576 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [0,1,0,1,0,0|2,0,0]=4 6577 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [0,1,0,1,0,0|2,0,0]=4 6578 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [0,1,0,1,0,0|2,0,0]=4 6579 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [0,1,0,1,0,0|2,0,0]=4 6580 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [0,1,0,1,0,0|2,0,0]=4 6581 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [0,1,0,1,0,0|2,0,0]=4 6582 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [0,1,0,1,0,0|2,0,0]=4 6583 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,1,0,1,0,0|1,1,0]=4 6584 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,1,0,1,0,0|1,1,0]=4 6585 B9R1.17 BrCCCOC1CCC1 34a_100011217188_100000749161 [0,1,0,1,0,0|1,1,0]=4 6586 B9R1.17 C#CCCSC1CCC1 62a_100000688953_100000749161 [0,1,0,1,0,0|1,0,1]=4 6587 B9R1.17 C/C=C/CSC1CCC1 62a_100102629194_100000749161 [0,1,0,1,0,0|1,0,1]=4 6588 B9R1.17 C=CCCSC1CCC1 62a_100000754431_100000749161 [0,1,0,1,0,0|1,0,1]=4 6589 B9R1.17 CC#CCSC1CCC1 62a_100000748600_100000749161 [0,1,0,1,0,0|1,0,1]=4 6590 B9R1.17 CC=CCSC1CCC1 62a_100000070051_100000749161 [0,1,0,1,0,0|1,0,1]=4 6591 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [0,1,0,1,0,0|2,0,0]=4 6592 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [0,1,0,1,0,0|2,0,0]=4 6593 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [0,1,0,1,0,0|2,0,0]=4 6594 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [0,1,0,1,0,0|2,0,0]=4 6595 B9R1.17 CCCCNC1COC1 2230a_100016991112_100000210211 [0,1,0,1,0,0|2,0,0]=4 6596 B9R1.17 CCCCNC1COC1 7a_106832991798_100009818527 [0,1,0,1,0,0|2,0,0]=4 6597 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [0,1,0,1,0,0|1,1,0]=4 6598 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [0,1,0,1,0,0|1,1,0]=4 6599 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [0,1,0,1,0,0|1,1,0]=4 6600 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [0,1,0,1,0,0|1,1,0]=4 6601 B9R1.17 CCCCOC1CSC1 7a_100000072292_100000210211 [0,1,0,1,0,0|1,1,0]=4 6602 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [0,1,0,1,0,0|1,0,0]=3 6603 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [0,1,0,1,0,0|1,0,0]=3 6604 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [0,1,0,1,0,0|2,0,0]=4 6605 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [0,1,0,1,0,0|2,0,0]=4 6606 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [0,1,0,1,0,0|2,0,0]=4 6607 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [0,1,0,1,0,0|2,0,0]=4 6608 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [0,1,0,1,0,0|2,0,0]=4 6609 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,1,0,1,0,0|2,0,0]=4 6610 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,1,0,1,0,0|2,0,0]=4 6611 B9R1.17 CCCNN=C1CCC1 4a_100000740057_100000241760 [0,1,0,1,0,0|2,0,0]=4 6612 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [0,1,0,1,0,0|1,1,0]=4 6613 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [0,1,0,1,0,0|1,1,0]=4 6614 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,1,0,1,0,0|1,1,0]=4 6615 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,1,0,1,0,0|1,1,0]=4 6616 B9R1.17 CCCOCC1CNC1 34a_100016987283_100000210303 [0,1,0,1,0,0|1,1,0]=4 6617 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [0,1,0,1,0,0|1,1,0]=4 6618 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [0,1,0,1,0,0|1,1,0]=4 6619 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [0,1,0,1,0,0|1,0,0]=3 6620 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [0,1,0,1,0,0|1,0,0]=3 6621 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,1,0,1,0,0|1,0,0]=3 6622 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,1,0,1,0,0|1,0,0]=3 6623 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [0,1,0,1,0,0|1,0,0]=3 6624 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [0,1,0,1,0,0|1,0,0]=3 6625 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [0,1,0,1,0,0|2,0,0]=4 6626 B9R1.17 CCOCSC1CCC1 62a_100000739092_100000749161 [0,1,0,1,0,0|1,0,0]=3 6627 B9R1.17 CCOCSC1COC1 62a_100000739092_100009818527 [0,1,0,1,0,0|2,0,0]=4 6628 B9R1.17 CCSCCN1CCC1 269982a_100000754969_100000757381 [0,1,0,1,0,0|2,0,0]=4 6629 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [0,1,0,1,0,0|2,0,0]=4 6630 B9R1.17 COCCNC1CCC1 2230a_100000749019_100011201679 [0,1,0,1,0,0|2,0,0]=4 6631 B9R1.17 COCCNC1CCC1 270004a_100000209980_100000241760 [0,1,0,1,0,0|2,0,0]=4 6632 B9R1.17 COCCNC1CCC1 34a_100000749019_100011201679 [0,1,0,1,0,0|2,0,0]=4 6633 B9R1.17 COCCOC1CCC1 34a_100000210237_100000749161 [0,1,0,1,0,0|1,1,0]=4 6634 B9R1.17 COCCOC1CCC1 34a_100000748187_100011201679 [0,1,0,1,0,0|1,1,0]=4 6635 B9R1.17 COCCSC1CCC1 62a_100000233755_100000749161 [0,1,0,1,0,0|1,0,0]=3 6636 B9R1.17 COCCSC1COC1 62a_100000233755_100009818527 [0,1,0,1,0,0|2,0,0]=4 6637 B9R1.17 COCSCC1CCC1 62a_100000763275_100000766300 [0,1,0,1,0,0|2,0,0]=4 6638 B9R1.17 COCSCC1CCC1 62a_100000766300_100000763275 [0,1,0,1,0,0|2,0,0]=4 6639 B9R1.17 COCSCC1CCO1 62a_100000103362_100000766300 [0,1,0,1,0,0|2,0,0]=4 6640 B9R1.17 COCSCC1CCO1 62a_100000766300_100000103362 [0,1,0,1,0,0|2,0,0]=4 6641 B9R1.17 COCSCC1COC1 62a_100000766300_100010264016 [0,1,0,1,0,0|2,0,0]=4 6642 B9R1.17 COCSCC1COC1 62a_100010264016_100000766300 [0,1,0,1,0,0|2,0,0]=4 6643 B9R1.17 CSCCNC1CCC1 2230a_100000749019_100000751147 [0,1,0,1,0,0|2,0,0]=4 6644 B9R1.17 CSCCNC1CCC1 270004a_100020590264_100000241760 [0,1,0,1,0,0|2,0,0]=4 6645 B9R1.17 CSCCNC1CCC1 34a_100000749019_100000212216 [0,1,0,1,0,0|2,0,0]=4 6646 B9R1.17 CSCCOC1CCC1 34a_100000230434_100000749161 [0,1,0,1,0,0|1,1,0]=4 6647 B9R1.17 CSCCOC1CCC1 34a_100000748187_100000212216 [0,1,0,1,0,0|1,1,0]=4 6648 B9R1.17 CSCCSC1CCC1 62a_100000212216_100000749161 [0,1,0,1,0,0|1,0,0]=3 6649 B9R1.17 CSCCSC1COC1 62a_100000212216_100009818527 [0,1,0,1,0,0|2,0,0]=4 6650 B9R1.17 CSCSCC1CCC1 62a_100000763275_100011218213 [0,1,0,1,0,0|2,0,0]=4 6651 B9R1.17 CSCSCC1CCC1 62a_100011218213_100000763275 [0,1,0,1,0,0|2,0,0]=4 6652 B9R1.17 CSCSCC1CCO1 62a_100000103362_100011218213 [0,1,0,1,0,0|2,0,0]=4 6653 B9R1.17 CSCSCC1CCO1 62a_100011218213_100000103362 [0,1,0,1,0,0|2,0,0]=4 6654 B9R1.17 CSCSCC1COC1 62a_100010264016_100011218213 [0,1,0,1,0,0|2,0,0]=4 6655 B9R1.17 CSCSCC1COC1 62a_100011218213_100010264016 [0,1,0,1,0,0|2,0,0]=4 6656 B9R1.17 ClCCCOC1CCC1 34a_100000230001_100000749161 [0,1,0,1,0,0|1,1,0]=4 6657 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [0,1,0,1,0,0|2,0,0]=4 6658 B9R1.17 FCCCNC1CCC1 2230a_100000749019_100011934791 [0,1,0,1,0,0|2,0,0]=4 6659 B9R1.17 FCCCNC1CCC1 270004a_100015189416_100000241760 [0,1,0,1,0,0|2,0,0]=4 6660 B9R1.17 FCCCNC1CCC1 34a_100000749019_100011934791 [0,1,0,1,0,0|2,0,0]=4 6661 B9R1.17 FCCCNC1CCC1 34a_100015189416_100000749161 [0,1,0,1,0,0|2,0,0]=4 6662 B9R1.17 FCCCOC1CCC1 34a_100000748187_100011934791 [0,1,0,1,0,0|1,1,0]=4 6663 B9R1.17 FCCCOC1CCC1 34a_100000759539_100000749161 [0,1,0,1,0,0|1,1,0]=4 6664 B9R1.17 FCCCSC1CCC1 62a_100011934791_100000749161 [0,1,0,1,0,0|1,0,0]=3 6665 B9R1.17 FCCCSC1COC1 62a_100011934791_100009818527 [0,1,0,1,0,0|2,0,0]=4 6666 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [0,1,0,1,0,0|2,0,0]=4 6667 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [0,1,0,1,0,0|2,0,0]=4 6668 B9R1.17 FCCSCC1CCO1 62a_100000103362_100011217306 [0,1,0,1,0,0|2,0,0]=4 6669 B9R1.17 FCCSCC1CCO1 62a_100011217306_100000103362 [0,1,0,1,0,0|2,0,0]=4 6670 B9R1.17 FCCSCC1COC1 62a_100010264016_100011217306 [0,1,0,1,0,0|2,0,0]=4 6671 B9R1.17 FCCSCC1COC1 62a_100011217306_100010264016 [0,1,0,1,0,0|2,0,0]=4 6672 B9R1.17 N#CCCSC1CCC1 62a_100011215226_100000749161 [0,1,0,1,0,0|1,0,1]=4 6673 B9R1.17 NCCCOC1CCC1 34a_100000182051_100000749161 [0,1,0,1,0,0|1,1,0]=4 6674 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [0,1,0,1,0,0|2,0,0]=4 6675 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [0,1,0,1,0,0|2,0,0]=4 6676 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [0,1,0,1,0,0|2,0,0]=4 6677 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [0,1,0,1,0,0|2,0,0]=4 6678 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [0,1,0,1,0,0|1,1,0]=4 6679 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [0,1,0,1,0,0|1,0,0]=3 6680 B9R1.17 OCCCSC1COC1 62a_100011215043_100009818527 [0,1,0,1,0,0|2,0,0]=4 6681 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [0,1,0,1,0,0|2,0,0]=4 6682 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [0,1,0,1,0,0|2,0,0]=4 6683 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [0,1,0,1,0,0|2,0,0]=4 6684 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [0,1,0,1,0,0|2,0,0]=4 6685 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [0,1,0,1,0,0|2,0,0]=4 6686 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [0,1,0,1,0,0|2,0,0]=4 6687 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [0,1,0,1,0,0|2,0,0]=4 6688 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [0,1,0,1,0,0|2,0,0]=4 6689 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [0,1,0,1,0,0|2,0,0]=4 6690 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [0,1,0,1,0,0|2,0,0]=4 6691 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,1,0,1,0,0|2,0,0]=4 6692 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,1,0,1,0,0|2,0,0]=4 6693 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,1,0,0|1,0,1]=4 6694 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,1,0,0|1,0,1]=4 6695 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [0,1,0,1,0,0|2,0,0]=4 6696 B9R1.39 COCCN1CCC1C 269982a_100000755817_100000233755 [0,1,0,1,0,0|2,0,0]=4 6697 B9R1.39 COCCN1CCC1C 34a_100000755817_100011201679 [0,1,0,1,0,0|2,0,0]=4 6698 B9R1.39 CSCCN1CCC1C 269982a_100000755817_100000212216 [0,1,0,1,0,0|2,0,0]=4 6699 B9R1.39 CSCCN1CCC1C 34a_100000755817_100000212216 [0,1,0,1,0,0|2,0,0]=4 6700 B9R1.83 BrCCCCOC1CC1 34a_100011216708_100000211595 [0,1,0,1,0,0|1,1,0]=4 6701 B9R1.83 BrCCCOCC1CC1 34a_100011217188_100000742324 [0,1,0,1,0,0|1,1,0]=4 6702 B9R1.83 C#CCCCSC1CC1 62a_100011215417_100000211595 [0,1,0,1,0,0|1,0,1]=4 6703 B9R1.83 C#CCCSCC1CC1 62a_100000688953_100000742324 [0,1,0,1,0,0|1,0,1]=4 6704 B9R1.83 C#CCCSCC1CC1 62a_100000756562_100000688953 [0,1,0,1,0,0|1,0,1]=4 6705 B9R1.83 C/C=C/CSCC1CC1 62a_100000756562_100102629194 [0,1,0,1,0,0|1,0,1]=4 6706 B9R1.83 C/C=C/CSCC1CC1 62a_100102629194_100000742324 [0,1,0,1,0,0|1,0,1]=4 6707 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [0,1,0,1,0,0|1,0,1]=4 6708 B9R1.83 C=CCCSCC1CC1 62a_100000754431_100000742324 [0,1,0,1,0,0|1,0,1]=4 6709 B9R1.83 C=CCCSCC1CC1 62a_100000756562_100000754431 [0,1,0,1,0,0|1,0,1]=4 6710 B9R1.83 CC#CCSCC1CC1 62a_100000748600_100000742324 [0,1,0,1,0,0|1,0,1]=4 6711 B9R1.83 CC#CCSCC1CC1 62a_100000756562_100000748600 [0,1,0,1,0,0|1,0,1]=4 6712 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [0,1,0,1,0,0|1,0,1]=4 6713 B9R1.83 CC=CCSCC1CC1 62a_100000070051_100000742324 [0,1,0,1,0,0|1,0,1]=4 6714 B9R1.83 CC=CCSCC1CC1 62a_100000756562_100000070051 [0,1,0,1,0,0|1,0,1]=4 6715 B9R1.83 CCC#CCSC1CC1 62a_100009813939_100000211595 [0,1,0,1,0,0|1,0,1]=4 6716 B9R1.83 CCCC=NNC1CC1 4a_100000701032_100000185831 [0,1,0,1,0,0|2,0,0]=4 6717 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [0,1,0,1,0,0|2,0,0]=4 6718 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [0,1,0,1,0,0|1,1,0]=4 6719 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [0,1,0,1,0,0|1,0,0]=3 6720 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [0,1,0,1,0,0|2,0,0]=4 6721 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [0,1,0,1,0,0|2,0,0]=4 6722 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [0,1,0,1,0,0|2,0,0]=4 6723 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [0,1,0,1,0,0|2,0,0]=4 6724 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [0,1,0,1,0,0|2,0,0]=4 6725 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [0,1,0,1,0,0|2,0,0]=4 6726 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [0,1,0,1,0,0|2,0,0]=4 6727 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [0,1,0,1,0,0|2,0,0]=4 6728 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [0,1,0,1,0,0|2,0,0]=4 6729 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [0,1,0,1,0,0|1,1,0]=4 6730 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [0,1,0,1,0,0|1,1,0]=4 6731 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [0,1,0,1,0,0|1,1,0]=4 6732 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [0,1,0,1,0,0|1,1,0]=4 6733 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [0,1,0,1,0,0|1,1,0]=4 6734 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [0,1,0,1,0,0|1,1,0]=4 6735 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [0,1,0,1,0,0|1,1,0]=4 6736 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [0,1,0,1,0,0|1,1,0]=4 6737 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [0,1,0,1,0,0|1,0,0]=3 6738 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [0,1,0,1,0,0|1,0,0]=3 6739 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,1,0,1,0,0|1,0,0]=3 6740 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,1,0,1,0,0|1,0,0]=3 6741 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [0,1,0,1,0,0|1,0,0]=3 6742 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [0,1,0,1,0,0|1,0,0]=3 6743 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,1,0,1,0,0|1,0,0]=3 6744 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,1,0,1,0,0|1,0,0]=3 6745 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [0,1,0,1,0,0|2,0,0]=4 6746 B9R1.83 CCCNN=CC1CC1 4a_100000740057_100000741477 [0,1,0,1,0,0|2,0,0]=4 6747 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [0,1,0,1,0,0|1,1,0]=4 6748 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [0,1,0,1,0,0|1,1,0]=4 6749 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [0,1,0,1,0,0|1,1,0]=4 6750 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [0,1,0,1,0,0|1,1,0]=4 6751 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [0,1,0,1,0,0|1,1,0]=4 6752 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [0,1,0,1,0,0|1,0,0]=3 6753 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [0,1,0,1,0,0|1,0,0]=3 6754 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,1,0,1,0,0|1,0,0]=3 6755 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,1,0,1,0,0|1,0,0]=3 6756 B9R1.83 CCNCC#CC1CC1 2230a_100015525214_100009895102 [0,1,0,1,0,0|2,0,0]=4 6757 B9R1.83 CCOCC#CC1CC1 34a_100000083941_100000210202 [0,1,0,1,0,0|2,0,0]=4 6758 B9R1.83 CCOCC#CC1CC1 34a_100121572206_100009895102 [0,1,0,1,0,0|2,0,0]=4 6759 B9R1.83 CCOCC#CC1CC1 7a_100000083941_100000210202 [0,1,0,1,0,0|2,0,0]=4 6760 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [0,1,0,1,0,0|2,0,0]=4 6761 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [0,1,0,1,0,0|2,0,0]=4 6762 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [0,1,0,1,0,0|2,0,0]=4 6763 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [0,1,0,1,0,0|1,1,0]=4 6764 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [0,1,0,1,0,0|1,0,0]=3 6765 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [0,1,0,1,0,0|1,0,0]=3 6766 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [0,1,0,1,0,0|1,0,0]=3 6767 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [0,1,0,1,0,0|2,0,0]=4 6768 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [0,1,0,1,0,0|2,0,0]=4 6769 B9R1.83 CCOCSCC1CS1 62a_100000031435_100000739092 [0,1,0,1,0,0|2,0,0]=4 6770 B9R1.83 CCOCSCC1CS1 62a_100000739092_100000031435 [0,1,0,1,0,0|2,0,0]=4 6771 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [0,1,0,1,0,0|2,0,0]=4 6772 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [0,1,0,1,0,0|2,0,0]=4 6773 B9R1.83 CCSCC#CC1CC1 62a_100000210202_100009895102 [0,1,0,1,0,0|2,0,0]=4 6774 B9R1.83 CCSCC#CC1CC1 62a_100009895102_100000210202 [0,1,0,1,0,0|2,0,0]=4 6775 B9R1.83 CCSCCNC1CC1 34a_100000212008_100000757381 [0,1,0,1,0,0|2,0,0]=4 6776 B9R1.83 CCSCCOC1CC1 34a_100000212035_100000211595 [0,1,0,1,0,0|1,1,0]=4 6777 B9R1.83 CCSCCSC1CC1 62a_100000757381_100000211595 [0,1,0,1,0,0|1,0,0]=3 6778 B9R1.83 CNCCCOC1CC1 34a_100000213112_100000211595 [0,1,0,1,0,0|1,1,0]=4 6779 B9R1.83 COCCCNC1CC1 34a_100000212008_100000740836 [0,1,0,1,0,0|2,0,0]=4 6780 B9R1.83 COCCCNC1CC1 34a_100150723488_100000211595 [0,1,0,1,0,0|2,0,0]=4 6781 B9R1.83 COCCCOC1CC1 34a_100000740835_100000211595 [0,1,0,1,0,0|1,1,0]=4 6782 B9R1.83 COCCCSC1CC1 62a_100000709357_100000211595 [0,1,0,1,0,0|1,0,0]=3 6783 B9R1.83 COCCNCC1CC1 2230a_100000209980_100000742324 [0,1,0,1,0,0|2,0,0]=4 6784 B9R1.83 COCCNCC1CC1 2230a_100000735609_100011201679 [0,1,0,1,0,0|2,0,0]=4 6785 B9R1.83 COCCNCC1CC1 269862a_100000209980_100000741477 [0,1,0,1,0,0|2,0,0]=4 6786 B9R1.83 COCCNCC1CC1 34a_100000735609_100011201679 [0,1,0,1,0,0|2,0,0]=4 6787 B9R1.83 COCCOCC1CC1 34a_100000210237_100000742324 [0,1,0,1,0,0|1,1,0]=4 6788 B9R1.83 COCCOCC1CC1 34a_100000211283_100011201679 [0,1,0,1,0,0|1,1,0]=4 6789 B9R1.83 COCCSCC1CC1 62a_100000233755_100000742324 [0,1,0,1,0,0|1,0,0]=3 6790 B9R1.83 COCCSCC1CC1 62a_100000756562_100000233755 [0,1,0,1,0,0|1,0,0]=3 6791 B9R1.83 COCCSCC1CO1 62a_100000233755_102125554688 [0,1,0,1,0,0|2,0,0]=4 6792 B9R1.83 COCCSCC1CO1 62a_102125554688_100000233755 [0,1,0,1,0,0|2,0,0]=4 6793 B9R1.83 COCCSCC1CS1 62a_100000031435_100000233755 [0,1,0,1,0,0|2,0,0]=4 6794 B9R1.83 COCCSCC1CS1 62a_100000233755_100000031435 [0,1,0,1,0,0|2,0,0]=4 6795 B9R1.83 COCCSC[C@@H]1CO1 62a_100000233755_100000745022 [0,1,0,1,0,0|2,0,0]=4 6796 B9R1.83 COCCSC[C@@H]1CO1 62a_100000745022_100000233755 [0,1,0,1,0,0|2,0,0]=4 6797 B9R1.83 COCSCCC1CC1 62a_100000764125_100000766300 [0,1,0,1,0,0|2,0,0]=4 6798 B9R1.83 COCSCCC1CC1 62a_100000766300_100000764125 [0,1,0,1,0,0|2,0,0]=4 6799 B9R1.83 COCSCCC1CO1 62a_100000732470_100000766300 [0,1,0,1,0,0|2,0,0]=4 6800 B9R1.83 COCSCCC1CO1 62a_100000766300_100000732470 [0,1,0,1,0,0|2,0,0]=4 6801 B9R1.83 CSCCCOC1CC1 34a_100000690336_100000211595 [0,1,0,1,0,0|1,1,0]=4 6802 B9R1.83 CSCCNCC1CC1 2230a_100000735609_100000751147 [0,1,0,1,0,0|2,0,0]=4 6803 B9R1.83 CSCCNCC1CC1 2230a_100020590264_100000742324 [0,1,0,1,0,0|2,0,0]=4 6804 B9R1.83 CSCCNCC1CC1 269862a_100020590264_100000741477 [0,1,0,1,0,0|2,0,0]=4 6805 B9R1.83 CSCCNCC1CC1 34a_100000735609_100000212216 [0,1,0,1,0,0|2,0,0]=4 6806 B9R1.83 CSCCOCC1CC1 34a_100000211283_100000212216 [0,1,0,1,0,0|1,1,0]=4 6807 B9R1.83 CSCCOCC1CC1 34a_100000230434_100000742324 [0,1,0,1,0,0|1,1,0]=4 6808 B9R1.83 CSCCOCC1CC1 7a_100000230434_100000742324 [0,1,0,1,0,0|1,1,0]=4 6809 B9R1.83 CSCCSCC1CC1 62a_100000212216_100000742324 [0,1,0,1,0,0|1,0,0]=3 6810 B9R1.83 CSCCSCC1CC1 62a_100000756562_100000751147 [0,1,0,1,0,0|1,0,0]=3 6811 B9R1.83 CSCCSCC1CO1 62a_100000212216_102125554688 [0,1,0,1,0,0|2,0,0]=4 6812 B9R1.83 CSCCSCC1CO1 62a_102125554688_100000751147 [0,1,0,1,0,0|2,0,0]=4 6813 B9R1.83 CSCCSCC1CS1 62a_100000031435_100000751147 [0,1,0,1,0,0|2,0,0]=4 6814 B9R1.83 CSCCSCC1CS1 62a_100000212216_100000031435 [0,1,0,1,0,0|2,0,0]=4 6815 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000212216_100000745022 [0,1,0,1,0,0|2,0,0]=4 6816 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000745022_100000751147 [0,1,0,1,0,0|2,0,0]=4 6817 B9R1.83 CSCSCCC1CC1 62a_100000764125_100011218213 [0,1,0,1,0,0|2,0,0]=4 6818 B9R1.83 CSCSCCC1CC1 62a_100011218213_100000764125 [0,1,0,1,0,0|2,0,0]=4 6819 B9R1.83 CSCSCCC1CO1 62a_100000732470_100011218213 [0,1,0,1,0,0|2,0,0]=4 6820 B9R1.83 CSCSCCC1CO1 62a_100011218213_100000732470 [0,1,0,1,0,0|2,0,0]=4 6821 B9R1.83 ClCCCCOC1CC1 34a_100000210776_100000211595 [0,1,0,1,0,0|1,1,0]=4 6822 B9R1.83 ClCCCOCC1CC1 34a_100000230001_100000742324 [0,1,0,1,0,0|1,1,0]=4 6823 B9R1.83 FCCCCNC1CC1 34a_100000212008_100000729493 [0,1,0,1,0,0|2,0,0]=4 6824 B9R1.83 FCCCCOC1CC1 34a_100011995726_100000211595 [0,1,0,1,0,0|1,1,0]=4 6825 B9R1.83 FCCCCSC1CC1 62a_100000729493_100000211595 [0,1,0,1,0,0|1,0,0]=3 6826 B9R1.83 FCCCNCC1CC1 2230a_100000735609_100011934791 [0,1,0,1,0,0|2,0,0]=4 6827 B9R1.83 FCCCNCC1CC1 2230a_100015189416_100000742324 [0,1,0,1,0,0|2,0,0]=4 6828 B9R1.83 FCCCNCC1CC1 269862a_100015189416_100000741477 [0,1,0,1,0,0|2,0,0]=4 6829 B9R1.83 FCCCNCC1CC1 34a_100000735609_100011934791 [0,1,0,1,0,0|2,0,0]=4 6830 B9R1.83 FCCCNCC1CC1 34a_100015189416_100000742324 [0,1,0,1,0,0|2,0,0]=4 6831 B9R1.83 FCCCOCC1CC1 34a_100000211283_100011934791 [0,1,0,1,0,0|1,1,0]=4 6832 B9R1.83 FCCCOCC1CC1 34a_100000759539_100000742324 [0,1,0,1,0,0|1,1,0]=4 6833 B9R1.83 FCCCSCC1CC1 62a_100000756562_100011934791 [0,1,0,1,0,0|1,0,0]=3 6834 B9R1.83 FCCCSCC1CC1 62a_100011934791_100000742324 [0,1,0,1,0,0|1,0,0]=3 6835 B9R1.83 FCCCSCC1CO1 62a_100011934791_102125554688 [0,1,0,1,0,0|2,0,0]=4 6836 B9R1.83 FCCCSCC1CO1 62a_102125554688_100011934791 [0,1,0,1,0,0|2,0,0]=4 6837 B9R1.83 FCCCSCC1CS1 62a_100000031435_100011934791 [0,1,0,1,0,0|2,0,0]=4 6838 B9R1.83 FCCCSCC1CS1 62a_100011934791_100000031435 [0,1,0,1,0,0|2,0,0]=4 6839 B9R1.83 FCCCSC[C@@H]1CO1 62a_100000745022_100011934791 [0,1,0,1,0,0|2,0,0]=4 6840 B9R1.83 FCCCSC[C@@H]1CO1 62a_100011934791_100000745022 [0,1,0,1,0,0|2,0,0]=4 6841 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [0,1,0,1,0,0|2,0,0]=4 6842 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [0,1,0,1,0,0|2,0,0]=4 6843 B9R1.83 FCCSCCC1CO1 62a_100000732470_100011217306 [0,1,0,1,0,0|2,0,0]=4 6844 B9R1.83 FCCSCCC1CO1 62a_100011217306_100000732470 [0,1,0,1,0,0|2,0,0]=4 6845 B9R1.83 ICCCCOC1CC1 34a_200012148704_100000211595 [0,1,0,1,0,0|1,1,0]=4 6846 B9R1.83 N#CCCCSC1CC1 62a_100000687738_100000211595 [0,1,0,1,0,0|1,0,1]=4 6847 B9R1.83 N#CCCSCC1CC1 62a_100000756562_100011215226 [0,1,0,1,0,0|1,0,1]=4 6848 B9R1.83 N#CCCSCC1CC1 62a_100011215226_100000742324 [0,1,0,1,0,0|1,0,1]=4 6849 B9R1.83 NCCCCOC1CC1 34a_100000750430_100000211595 [0,1,0,1,0,0|1,1,0]=4 6850 B9R1.83 NCCCOCC1CC1 34a_100000182051_100000742324 [0,1,0,1,0,0|1,1,0]=4 6851 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [0,1,0,1,0,0|1,0,1]=4 6852 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [0,1,0,1,0,0|2,0,0]=4 6853 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [0,1,0,1,0,0|2,0,0]=4 6854 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [0,1,0,1,0,0|1,0,0]=3 6855 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [0,1,0,1,0,0|2,0,0]=4 6856 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [0,1,0,1,0,0|2,0,0]=4 6857 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [0,1,0,1,0,0|2,0,0]=4 6858 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [0,1,0,1,0,0|1,1,0]=4 6859 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [0,1,0,1,0,0|1,0,0]=3 6860 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [0,1,0,1,0,0|1,0,0]=3 6861 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [0,1,0,1,0,0|2,0,0]=4 6862 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [0,1,0,1,0,0|2,0,0]=4 6863 B9R1.83 OCCCSCC1CS1 62a_100000031435_100011215043 [0,1,0,1,0,0|2,0,0]=4 6864 B9R1.83 OCCCSCC1CS1 62a_100011215043_100000031435 [0,1,0,1,0,0|2,0,0]=4 6865 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [0,1,0,1,0,0|2,0,0]=4 6866 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [0,1,0,1,0,0|2,0,0]=4 6867 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [0,1,0,1,0,0|2,0,0]=4 6868 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [0,1,0,1,0,0|2,0,0]=4 6869 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [0,1,0,1,0,0|2,0,0]=4 6870 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [0,1,0,1,0,0|2,0,0]=4 6871 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,1,0,1,0,0|2,0,0]=4 6872 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,1,0,1,0,0|2,0,0]=4 6873 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,1,0,1,0,0|2,0,0]=4 6874 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,1,0,1,0,0|1,1,0]=4 6875 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,1,0,1,0,0|1,1,0]=4 6876 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,1,0,1,0,0|1,1,0]=4 6877 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,1,0,1,0,0|2,0,0]=4 6878 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,1,0,1,0,0|2,0,0]=4 6879 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,1,0,1,0,0|2,0,0]=4 6880 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,1,0,1,0,0|2,0,0]=4 6881 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [0,1,0,1,0,0|2,0,0]=4 6882 B9R1.89 CNC1CSCCSC1 270004a_106832991635_100000068409 [0,1,0,1,0,0|2,0,0]=4 6883 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,1,0,0|2,0,0]=4 6884 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,1,0,0|2,0,0]=4 6885 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,1,0,0|2,0,0]=4 6886 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,1,0,1,0,0|2,0,0]=4 6887 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,1,0,1,0,0|2,0,0]=4 6888 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,1,0,1,0,0|2,0,0]=4 6889 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,1,0,1,0,0|2,0,0]=4 6890 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,1,0,0|2,0,0]=4 6891 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,1,0,0|2,0,0]=4 6892 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,1,0,1,0,0|2,0,0]=4 6893 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,1,0,1,0,0|2,0,0]=4 6894 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|1,0,1]=4 6895 B9R1.11 CCC(C)N1CCCC1 2230a_100000188435_100000758301 [0,1,0,1,0,0|2,0,0]=4 6896 B9R1.11 CCC(C)N1CCCC1 269982a_100000188435_100000758301 [0,1,0,1,0,0|2,0,0]=4 6897 B9R1.79 CC(CO)SC1CCC1 62a_100012180447_100000749161 [0,1,0,1,0,0|2,0,0]=4 6898 B9R1.79 CCC(C)CN1CCC1 269982a_100000754969_100000748023 [0,1,0,1,0,0|2,0,0]=4 6899 B9R1.79 CCC(C)NC1CCC1 2230a_100000749019_100000758301 [0,1,0,1,0,0|2,0,0]=4 6900 B9R1.79 CCC(C)NC1CCC1 270004a_100000209981_100000241760 [0,1,0,1,0,0|2,0,0]=4 6901 B9R1.79 CCC(C)NC1CCC1 34a_100000749019_100011215416 [0,1,0,1,0,0|2,0,0]=4 6902 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [0,1,0,1,0,0|1,1,0]=4 6903 B9R1.79 CCC(C)SC1CCC1 62a_100000758301_100000749161 [0,1,0,1,0,0|1,0,0]=3 6904 B9R1.79 CCC(C)SC1COC1 62a_100000758301_100009818527 [0,1,0,1,0,0|2,0,0]=4 6905 B9R1.79 CCC(O)CN1CCC1 269982a_100000754969_100011218378 [0,1,0,1,0,0|2,0,0]=4 6906 B9R1.79 CC[C@H](C)CN1CCC1 269982a_100000754969_100009816398 [0,1,0,1,0,0|2,0,0]=4 6907 B9R1.79 COC(C)SC1CCC1 62a_100009879195_100000749161 [0,1,0,1,0,0|2,0,0]=4 6908 B9R1.79 C[C@H](CO)SC1CCC1 62a_100016084084_100000749161 [0,1,0,1,0,0|2,0,0]=4 6909 B9R1.80 CC(CO)SCC1CC1 62a_100012180447_100000742324 [0,1,0,1,0,0|2,0,0]=4 6910 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,1,0,1,0,0|1,0,1]=4 6911 B9R1.80 CCC(C)CNC1CC1 34a_100000212008_100000748023 [0,1,0,1,0,0|2,0,0]=4 6912 B9R1.80 CCC(C)CSC1CC1 62a_100000748023_100000211595 [0,1,0,1,0,0|1,0,0]=3 6913 B9R1.80 CCC(C)NCC1CC1 2230a_100000209981_100000742324 [0,1,0,1,0,0|2,0,0]=4 6914 B9R1.80 CCC(C)NCC1CC1 2230a_100000735609_100000758301 [0,1,0,1,0,0|2,0,0]=4 6915 B9R1.80 CCC(C)NCC1CC1 269862a_100000209981_100000741477 [0,1,0,1,0,0|2,0,0]=4 6916 B9R1.80 CCC(C)NCC1CC1 34a_100000735609_100011215416 [0,1,0,1,0,0|2,0,0]=4 6917 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [0,1,0,1,0,0|1,1,0]=4 6918 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [0,1,0,1,0,0|1,1,0]=4 6919 B9R1.80 CCC(C)SCC1CC1 62a_100000756562_100000758301 [0,1,0,1,0,0|1,0,0]=3 6920 B9R1.80 CCC(C)SCC1CC1 62a_100000758301_100000742324 [0,1,0,1,0,0|1,0,0]=3 6921 B9R1.80 CCC(C)SCC1CO1 62a_100000758301_102125554688 [0,1,0,1,0,0|2,0,0]=4 6922 B9R1.80 CCC(C)SCC1CO1 62a_102125554688_100000758301 [0,1,0,1,0,0|2,0,0]=4 6923 B9R1.80 CCC(C)SCC1CS1 62a_100000031435_100000758301 [0,1,0,1,0,0|2,0,0]=4 6924 B9R1.80 CCC(C)SCC1CS1 62a_100000758301_100000031435 [0,1,0,1,0,0|2,0,0]=4 6925 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000745022_100000758301 [0,1,0,1,0,0|2,0,0]=4 6926 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000758301_100000745022 [0,1,0,1,0,0|2,0,0]=4 6927 B9R1.80 CCC(O)CNC1CC1 34a_100000212008_100011218378 [0,1,0,1,0,0|2,0,0]=4 6928 B9R1.80 CCC(O)CSC1CC1 62a_100011218378_100000211595 [0,1,0,1,0,0|1,0,0]=3 6929 B9R1.80 CC[C@H](C)CNC1CC1 34a_100000212008_100009816398 [0,1,0,1,0,0|2,0,0]=4 6930 B9R1.80 CC[C@H](C)CSC1CC1 62a_100009816398_100000211595 [0,1,0,1,0,0|1,0,0]=3 6931 B9R1.80 COC(C)SCC1CC1 62a_100000756562_100009879195 [0,1,0,1,0,0|2,0,0]=4 6932 B9R1.80 COC(C)SCC1CC1 62a_100009879195_100000742324 [0,1,0,1,0,0|2,0,0]=4 6933 B9R1.80 C[C@@H](CO)CSC1CC1 62a_100000059175_100000211595 [0,1,0,1,0,0|2,0,0]=4 6934 B9R1.80 C[C@H](CO)SCC1CC1 62a_100000756562_100016084084 [0,1,0,1,0,0|2,0,0]=4 6935 B9R1.80 C[C@H](CO)SCC1CC1 62a_100016084084_100000742324 [0,1,0,1,0,0|2,0,0]=4 6936 B9R1.80 OCC(O)CSC1CC1 62a_100011219619_100000211595 [0,1,0,1,0,0|2,0,0]=4 6937 B9R1.80 OC[C@H](O)CSC1CC1 62a_100009815848_100000211595 [0,1,0,1,0,0|2,0,0]=4 6938 B9R1.80 O[C@@H](CF)CSC1CC1 62a_100015614560_100000211595 [0,1,0,1,0,0|2,0,0]=4 6939 B9R1.81 CCC(C)N1CCC1C 269982a_100000755817_100000758301 [0,1,0,1,0,0|2,0,0]=4 6940 B9R1.81 CCC(C)N1CCC1C 34a_100000755817_100011215416 [0,1,0,1,0,0|2,0,0]=4 6941 B9R1.99 CCCCNC1(CC1)C 2230a_100000757604_100000210211 [0,1,0,1,0,0|2,0,0]=4 6942 B9R1.99 CCCCOC1(CC1)C 7a_100011725673_100000210211 [0,1,0,1,0,0|1,1,0]=4 6943 B9R1.99 CCCNCC1(CC1)C 2230a_100000766693_100000210303 [0,1,0,1,0,0|2,0,0]=4 6944 B9R1.99 CCCNCC1(CC1)O 2230a_100011936951_100000210303 [0,1,0,1,0,0|2,0,0]=4 6945 B9R1.99 CCCOCC1(CC1)C 7a_100000698024_100000210303 [0,1,0,1,0,0|1,1,0]=4 6946 B9R1.99 CCCOCC1(CC1)F 34a_200000703853_100000210303 [0,1,0,1,0,0|1,1,0]=4 6947 B9R1.99 CCCOCC1(CC1)F 7a_200000703853_100000210303 [0,1,0,1,0,0|1,1,0]=4 6948 B9R1.99 CCCSCC1(CO1)C 62a_100000210303_100000760498 [0,1,0,1,0,0|2,0,0]=4 6949 B9R1.99 CCCSCC1(CO1)C 62a_100000760498_100000210303 [0,1,0,1,0,0|2,0,0]=4 6950 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,1,0,1,0,0|2,0,0]=4 6951 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,1,0,1,0,0|2,0,0]=4 6952 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [0,1,0,1,0,0|2,0,0]=4 6953 B9R1.13 CC(C)CN1CCCC1 2230a_100000188435_100000210760 [0,1,0,1,0,0|2,0,0]=4 6954 B9R1.13 CC(C)CN1CCCC1 269982a_100000188435_100000210624 [0,1,0,1,0,0|2,0,0]=4 6955 B9R1.13 CC(C)CN1CCCC1 270004a_100000188435_100000210432 [0,1,0,1,0,0|2,0,0]=4 6956 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [0,1,0,1,0,0|2,0,0]=4 6957 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [0,1,0,1,0,0|2,0,0]=4 6958 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [0,1,0,1,0,0|2,0,0]=4 6959 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [0,1,0,1,0,0|2,0,0]=4 6960 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [0,1,0,1,0,0|2,0,0]=4 6961 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [0,1,0,1,0,0|2,0,0]=4 6962 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [0,1,0,1,0,0|2,0,0]=4 6963 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [0,1,0,1,0,0|2,0,0]=4 6964 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [0,1,0,1,0,0|2,0,0]=4 6965 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [0,1,0,1,0,0|2,0,0]=4 6966 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [0,1,0,1,0,0|1,0,1]=4 6967 B9R1.84 CC(Br)COC1CCC1 34a_100012180447_100000749161 [0,1,0,1,0,0|1,1,0]=4 6968 B9R1.84 CC(C)CCN1CCC1 269982a_100000754969_100000210312 [0,1,0,1,0,0|2,0,0]=4 6969 B9R1.84 CC(C)CNC1CCC1 2230a_100000749019_100000210760 [0,1,0,1,0,0|2,0,0]=4 6970 B9R1.84 CC(C)CNC1CCC1 270004a_100000210953_100000241760 [0,1,0,1,0,0|2,0,0]=4 6971 B9R1.84 CC(C)CNC1CCC1 34a_100000210953_100000749161 [0,1,0,1,0,0|2,0,0]=4 6972 B9R1.84 CC(C)CNC1CCC1 34a_100000749019_100000210624 [0,1,0,1,0,0|2,0,0]=4 6973 B9R1.84 CC(C)COC1CCC1 34a_100000210257_100000749161 [0,1,0,1,0,0|1,1,0]=4 6974 B9R1.84 CC(C)COC1CCC1 34a_100000748187_100000210624 [0,1,0,1,0,0|1,1,0]=4 6975 B9R1.84 CC(C)CSC1CCC1 62a_100000210624_100000749161 [0,1,0,1,0,0|1,0,0]=3 6976 B9R1.84 CC(C)CSC1COC1 62a_100000210624_100009818527 [0,1,0,1,0,0|2,0,0]=4 6977 B9R1.84 CC(F)COC1CCC1 34a_100015925927_100000749161 [0,1,0,1,0,0|1,1,0]=4 6978 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [0,1,0,1,0,0|2,0,0]=4 6979 B9R1.84 CC(O)CNC1CCC1 2230a_100000749019_100011218427 [0,1,0,1,0,0|2,0,0]=4 6980 B9R1.84 CC(O)CNC1CCC1 270004a_100000210904_100000241760 [0,1,0,1,0,0|2,0,0]=4 6981 B9R1.84 CC(O)CNC1CCC1 34a_100000210904_100000749161 [0,1,0,1,0,0|2,0,0]=4 6982 B9R1.84 CC(O)CNC1CCC1 34a_100000749019_100011218427 [0,1,0,1,0,0|2,0,0]=4 6983 B9R1.84 CC(O)COC1CCC1 34a_100000748187_100011218427 [0,1,0,1,0,0|1,1,0]=4 6984 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [0,1,0,1,0,0|1,0,0]=3 6985 B9R1.84 CC(O)CSC1COC1 62a_100011218427_100009818527 [0,1,0,1,0,0|2,0,0]=4 6986 B9R1.84 C[C@@H](Cl)COC1CCC1 34a_100016084084_100000749161 [0,1,0,1,0,0|1,1,0]=4 6987 B9R1.84 C[C@@H](N)COC1CCC1 34a_100000737577_100000749161 [0,1,0,1,0,0|1,1,0]=4 6988 B9R1.84 C[C@@H](O)CNC1CCC1 2230a_100000749019_100009817552 [0,1,0,1,0,0|2,0,0]=4 6989 B9R1.84 C[C@@H](O)CNC1CCC1 34a_100000749019_100009817552 [0,1,0,1,0,0|2,0,0]=4 6990 B9R1.84 C[C@@H](O)COC1CCC1 34a_100000748187_100009817552 [0,1,0,1,0,0|1,1,0]=4 6991 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [0,1,0,1,0,0|1,0,0]=3 6992 B9R1.84 C[C@@H](O)CSC1COC1 62a_100009817552_100009818527 [0,1,0,1,0,0|2,0,0]=4 6993 B9R1.84 FC(F)CSC1CCC1 62a_100011934356_100000749161 [0,1,0,1,0,0|2,0,0]=4 6994 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [0,1,0,1,0,0|1,0,1]=4 6995 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,1,0,1,0,0|1,0,1]=4 6996 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,1,0,1,0,0|1,0,1]=4 6997 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,1,0,1,0,0|1,0,1]=4 6998 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,1,0,1,0,0|1,0,1]=4 6999 B9R1.85 CC(Br)CCOC1CC1 34a_100009893172_100000211595 [0,1,0,1,0,0|1,1,0]=4 7000 B9R1.85 CC(Br)COCC1CC1 34a_100012180447_100000742324 [0,1,0,1,0,0|1,1,0]=4 7001 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [0,1,0,1,0,0|2,0,0]=4 7002 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [0,1,0,1,0,0|1,1,0]=4 7003 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [0,1,0,1,0,0|1,0,0]=3 7004 B9R1.85 CC(C)CNCC1CC1 2230a_100000210953_100000742324 [0,1,0,1,0,0|2,0,0]=4 7005 B9R1.85 CC(C)CNCC1CC1 2230a_100000735609_100000210760 [0,1,0,1,0,0|2,0,0]=4 7006 B9R1.85 CC(C)CNCC1CC1 269862a_100000210953_100000741477 [0,1,0,1,0,0|2,0,0]=4 7007 B9R1.85 CC(C)CNCC1CC1 270004a_100000735609_100000210432 [0,1,0,1,0,0|2,0,0]=4 7008 B9R1.85 CC(C)CNCC1CC1 34a_100000210953_100000742324 [0,1,0,1,0,0|2,0,0]=4 7009 B9R1.85 CC(C)CNCC1CC1 34a_100000735609_100000210624 [0,1,0,1,0,0|2,0,0]=4 7010 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [0,1,0,1,0,0|1,1,0]=4 7011 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [0,1,0,1,0,0|1,1,0]=4 7012 B9R1.85 CC(C)CSCC1CC1 62a_100000210624_100000742324 [0,1,0,1,0,0|1,0,0]=3 7013 B9R1.85 CC(C)CSCC1CC1 62a_100000756562_100000210760 [0,1,0,1,0,0|1,0,0]=3 7014 B9R1.85 CC(C)CSCC1CO1 62a_100000210624_102125554688 [0,1,0,1,0,0|2,0,0]=4 7015 B9R1.85 CC(C)CSCC1CO1 62a_102125554688_100000210760 [0,1,0,1,0,0|2,0,0]=4 7016 B9R1.85 CC(C)CSCC1CS1 62a_100000031435_100000210760 [0,1,0,1,0,0|2,0,0]=4 7017 B9R1.85 CC(C)CSCC1CS1 62a_100000210624_100000031435 [0,1,0,1,0,0|2,0,0]=4 7018 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000210624_100000745022 [0,1,0,1,0,0|2,0,0]=4 7019 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000745022_100000210760 [0,1,0,1,0,0|2,0,0]=4 7020 B9R1.85 CC(C)OCSC1CC1 62a_100000709892_100000211595 [0,1,0,1,0,0|2,0,0]=4 7021 B9R1.85 CC(F)COCC1CC1 34a_100015925927_100000742324 [0,1,0,1,0,0|1,1,0]=4 7022 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [0,1,0,1,0,0|2,0,0]=4 7023 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,1,0,1,0,0|1,0,0]=3 7024 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [0,1,0,1,0,0|2,0,0]=4 7025 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [0,1,0,1,0,0|2,0,0]=4 7026 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [0,1,0,1,0,0|2,0,0]=4 7027 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [0,1,0,1,0,0|2,0,0]=4 7028 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [0,1,0,1,0,0|2,0,0]=4 7029 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [0,1,0,1,0,0|1,1,0]=4 7030 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [0,1,0,1,0,0|1,0,0]=3 7031 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [0,1,0,1,0,0|1,0,0]=3 7032 B9R1.85 CC(O)CSCC1CO1 62a_100011218427_102125554688 [0,1,0,1,0,0|2,0,0]=4 7033 B9R1.85 CC(O)CSCC1CO1 62a_102125554688_100011218427 [0,1,0,1,0,0|2,0,0]=4 7034 B9R1.85 CC(O)CSCC1CS1 62a_100000031435_100011218427 [0,1,0,1,0,0|2,0,0]=4 7035 B9R1.85 CC(O)CSCC1CS1 62a_100011218427_100000031435 [0,1,0,1,0,0|2,0,0]=4 7036 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100000745022_100011218427 [0,1,0,1,0,0|2,0,0]=4 7037 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100011218427_100000745022 [0,1,0,1,0,0|2,0,0]=4 7038 B9R1.85 C[C@@H](Cl)COCC1CC1 34a_100016084084_100000742324 [0,1,0,1,0,0|1,1,0]=4 7039 B9R1.85 C[C@@H](N)CCOC1CC1 34a_100000706166_100000211595 [0,1,0,1,0,0|1,1,0]=4 7040 B9R1.85 C[C@@H](N)COCC1CC1 34a_100000737577_100000742324 [0,1,0,1,0,0|1,1,0]=4 7041 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [0,1,0,1,0,0|2,0,0]=4 7042 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [0,1,0,1,0,0|2,0,0]=4 7043 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [0,1,0,1,0,0|1,1,0]=4 7044 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [0,1,0,1,0,0|1,0,0]=3 7045 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [0,1,0,1,0,0|1,0,0]=3 7046 B9R1.85 C[C@@H](O)CSCC1CO1 62a_100009817552_102125554688 [0,1,0,1,0,0|2,0,0]=4 7047 B9R1.85 C[C@@H](O)CSCC1CO1 62a_102125554688_100009817552 [0,1,0,1,0,0|2,0,0]=4 7048 B9R1.85 C[C@@H](O)CSCC1CS1 62a_100000031435_100009817552 [0,1,0,1,0,0|2,0,0]=4 7049 B9R1.85 C[C@@H](O)CSCC1CS1 62a_100009817552_100000031435 [0,1,0,1,0,0|2,0,0]=4 7050 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100000745022_100009817552 [0,1,0,1,0,0|2,0,0]=4 7051 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100009817552_100000745022 [0,1,0,1,0,0|2,0,0]=4 7052 B9R1.85 FC(F)CSCC1CC1 62a_100000756562_100011934356 [0,1,0,1,0,0|2,0,0]=4 7053 B9R1.85 FC(F)CSCC1CC1 62a_100011934356_100000742324 [0,1,0,1,0,0|2,0,0]=4 7054 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,1,0,1,0,0|1,0,1]=4 7055 B9R2.2 C1CCN(C1)C2CC2 269982a_100000188435_100000211595 [0,0,0,2,0,0|2,0,0]=4 7056 B9R2.91 C1CC(C1)N2CCC2 269982a_100000754969_100000749161 [0,0,0,2,0,0|2,0,0]=4 7057 B9R2.157 C1CC(C1)NC2CC2 34a_100000212008_100000749161 [0,0,0,2,0,0|2,0,0]=4 7058 B9R2.157 C1CC(C1)NC2CC2 34a_100000749019_100000211595 [0,0,0,2,0,0|2,0,0]=4 7059 B9R2.157 C1CC(C1)OC2CC2 34a_100000748187_100000211595 [0,0,0,2,0,0|1,1,0]=4 7060 B9R2.157 C1CN(C1)CC2CC2 269982a_100000754969_100000756562 [0,0,0,2,0,0|2,0,0]=4 7061 B9R2.36 CC1CCN1C2CC2 269982a_100000755817_100000211595 [0,0,0,2,0,0|2,0,0]=4 7062 B9R2.36 CC1CCN1C2CC2 34a_100000755817_100000211595 [0,0,0,2,0,0|2,0,0]=4 7063 B9R2.69 C1CC1CNC2CC2 34a_100000212008_100000742324 [0,0,0,2,0,0|2,0,0]=4 7064 B9R2.69 C1CC1CNC2CC2 34a_100000735609_100000211595 [0,0,0,2,0,0|2,0,0]=4 7065 B9R2.69 C1CC1COC2CC2 34a_100000211283_100000211595 [0,0,0,2,0,0|1,1,0]=4 7066 B9R2.69 C1CC1CSC2CC2 62a_100000756562_100000211595 [0,0,0,2,0,0|1,0,0]=3 7067 B9R2.69 C1CC1SCC2CS2 62a_100000031435_100000211595 [0,0,0,2,0,0|2,0,0]=4 7068 B9R2.69 C1CC1SC[C@@H]2CO2 62a_100000745022_100000211595 [0,0,0,2,0,0|2,0,0]=4 7069 B9R2.69 C1OC1CSC2CC2 62a_102125554688_100000211595 [0,0,0,2,0,0|2,0,0]=4