0 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [0,0,0,0,0,0|2,1,1]=4 9 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [0,0,0,0,0,0|2,1,1]=4 10 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [0,0,0,0,0,0|2,1,1]=4 11 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [0,0,0,0,0,0|2,1,1]=4 12 B8R0.4 C#CCCCSCOC 62a_100000766300_100011215417 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.4 C#CCCCSCOC 62a_100011215417_100000766300 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.4 C#CCCNCCOC 2230a_100000209980_100000688953 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.4 C#CCCNCCOC 34a_100000755551_100011201679 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.4 C#CCCNCCSC 2230a_100020590264_100000688953 [0,0,0,0,0,0|2,1,1]=4 20 B8R0.4 C#CCCNCCSC 34a_100000755551_100000212216 [0,0,0,0,0,0|2,1,1]=4 21 B8R0.4 C#CCCOC/C=C/C 34a_100011215631_100102629194 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.4 C#CCCOC/C=C/C 34a_100016270725_100000688953 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.4 C#CCCOCC#CC 34a_100000761923_100000688953 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.4 C#CCCOCC#CC 34a_100011215631_100000748600 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.4 C#CCCOCC=CC 34a_100011215631_100000070051 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.4 C#CCCOCCC#C 34a_100011215631_100000688953 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.4 C#CCCOCCC=C 34a_100011205117_100000688953 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.4 C#CCCOCCC=C 34a_100011215631_100000754431 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.4 C#CCCOCCCBr 34a_100011217188_100000688953 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [0,0,0,0,0,0|2,0,1]=3 33 B8R0.4 C#CCCOCCCCl 34a_100000230001_100000688953 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.4 C#CCCOCCCF 34a_100000759539_100000688953 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.4 C#CCCOCCCF 34a_100011215631_100011934791 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.4 C#CCCOCCCN 34a_100000182051_100000688953 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.4 C#CCCOCCOC 34a_100000210237_100000688953 [0,0,0,0,0,0|1,0,1]=2 39 B8R0.4 C#CCCOCCOC 34a_100011215631_100011201679 [0,0,0,0,0,0|1,0,1]=2 40 B8R0.4 C#CCCOCCON 34a_100000700252_100000688953 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.4 C#CCCOCCSC 34a_100000230434_100000688953 [0,0,0,0,0,0|1,1,1]=3 42 B8R0.4 C#CCCOCCSC 34a_100011215631_100000212216 [0,0,0,0,0,0|1,1,1]=3 43 B8R0.4 C#CCCOCCSC 7a_100000230434_100000688953 [0,0,0,0,0,0|1,1,1]=3 44 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [0,0,0,0,0,0|2,1,1]=4 45 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [0,0,0,0,0,0|2,1,1]=4 46 B8R0.4 C#CCCSCCOC 62a_100000233755_100000688953 [0,0,0,0,0,0|1,1,1]=3 47 B8R0.4 C#CCCSCCOC 62a_100000688953_100000233755 [0,0,0,0,0,0|1,1,1]=3 48 B8R0.4 C#CCCSCCSC 62a_100000212216_100000688953 [0,0,0,0,0,0|1,2,1]=4 49 B8R0.4 C#CCCSCCSC 62a_100000688953_100000751147 [0,0,0,0,0,0|1,2,1]=4 50 B8R0.4 C#CCNCCCOC 34a_100000212058_100000740836 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.4 C#CCNCCCOC 34a_100150723488_100000184674 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.4 C#CCOCCCOC 34a_100000210247_100000740836 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.4 C#CCOCCCOC 34a_100000740835_100000184674 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.4 C#CCSCCCOC 62a_100000038162_100000709357 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.4 C/C=C/COC/C=C/C 34a_100016270725_100102629194 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,0,0,0,0,0|2,0,1]=3 59 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,0,0,0,0,0|2,0,1]=3 60 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,0,0,0,0,0|2,0,1]=3 61 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [0,0,0,0,0,0|1,0,1]=2 67 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [0,0,0,0,0,0|1,0,1]=2 68 B8R0.4 C/C=C/COCCON 34a_100000700252_100102629194 [0,0,0,0,0,0|2,0,1]=3 69 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [0,0,0,0,0,0|1,1,1]=3 70 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [0,0,0,0,0,0|1,1,1]=3 71 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [0,0,0,0,0,0|1,1,1]=3 72 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,0,0,0,0,0|2,1,1]=4 73 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,0,0,0,0,0|2,1,1]=4 74 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [0,0,0,0,0,0|1,1,1]=3 75 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [0,0,0,0,0,0|1,1,1]=3 76 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [0,0,0,0,0,0|1,2,1]=4 77 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [0,0,0,0,0,0|1,2,1]=4 78 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,0,0,0,0,0|3,0,1]=4 81 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,0,0,0,0,0|2,0,1]=3 82 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,0,0,0,0,0|2,0,1]=3 83 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,0,0,0,0,0|2,0,1]=3 84 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,0,0,0,0,0|2,0,1]=3 85 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,0,0,0,0,0|2,0,1]=3 86 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,0,0,0,0,0|2,1,1]=4 87 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,0,0,0,0,0|2,1,1]=4 88 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,0,0,0,0,0|2,1,1]=4 89 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,0,0,0,0,0|2,1,1]=4 90 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,0,0,0,0,0|3,0,1]=4 93 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [0,0,0,0,0,0|2,0,1]=3 97 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [0,0,0,0,0,0|2,0,1]=3 98 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,0,0,0,0,0|2,1,1]=4 99 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,0,0,0,0,0|2,1,1]=4 100 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [0,0,0,0,0,0|2,0,2]=4 101 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [0,0,0,0,0,0|2,0,2]=4 102 B8R0.4 C=CCCOCC#CC 34a_100000761923_100000754431 [0,0,0,0,0,0|2,0,2]=4 103 B8R0.4 C=CCCOCC#CC 34a_100011205117_100000748600 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.4 C=CCCOCCC=C 34a_100011205117_100000754431 [0,0,0,0,0,0|2,0,2]=4 106 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,0,0,0,0,0|2,0,1]=3 108 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,0,0,0,0,0|2,0,1]=3 109 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,0,0,0,0,0|2,0,1]=3 110 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [0,0,0,0,0,0|1,0,1]=2 116 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [0,0,0,0,0,0|1,0,1]=2 117 B8R0.4 C=CCCOCCON 34a_100000700252_100000754431 [0,0,0,0,0,0|2,0,1]=3 118 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,0,0,0,0,0|1,1,1]=3 119 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,0,0,0,0,0|1,1,1]=3 120 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,0,0,0,0,0|1,1,1]=3 121 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,0,0,0,0,0|2,1,1]=4 122 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,0,0,0,0,0|2,1,1]=4 123 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,0,0,0,0,0|1,1,1]=3 124 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,0,0,0,0,0|1,1,1]=3 125 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,0,0,0,0,0|1,2,1]=4 126 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,0,0,0,0,0|1,2,1]=4 127 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [0,0,0,0,0,0|3,0,1]=4 129 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [0,0,0,0,0,0|3,0,1]=4 130 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [0,0,0,0,0,0|3,0,1]=4 131 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,0,0,0,0,0|3,0,1]=4 132 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,0,0,0,0,0|3,0,1]=4 133 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,0,0,0,0,0|3,0,1]=4 135 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [0,0,0,0,0,0|3,0,1]=4 138 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [0,0,0,0,0,0|3,0,1]=4 139 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [0,0,0,0,0,0|3,0,1]=4 140 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [0,0,0,0,0,0|3,0,1]=4 141 B8R0.4 CC#CCNCCOC 2230a_100000209980_100000748600 [0,0,0,0,0,0|2,0,1]=3 142 B8R0.4 CC#CCNCCOC 2230a_100000685387_100011201679 [0,0,0,0,0,0|2,0,1]=3 143 B8R0.4 CC#CCNCCOC 34a_100000685387_100011201679 [0,0,0,0,0,0|2,0,1]=3 144 B8R0.4 CC#CCNCCSC 2230a_100000685387_100000751147 [0,0,0,0,0,0|2,1,1]=4 145 B8R0.4 CC#CCNCCSC 2230a_100020590264_100000748600 [0,0,0,0,0,0|2,1,1]=4 146 B8R0.4 CC#CCNCCSC 34a_100000685387_100000212216 [0,0,0,0,0,0|2,1,1]=4 147 B8R0.4 CC#CCOC/C=C/C 34a_100000761923_100102629194 [0,0,0,0,0,0|2,0,2]=4 148 B8R0.4 CC#CCOC/C=C/C 34a_100016270725_100000748600 [0,0,0,0,0,0|2,0,2]=4 149 B8R0.4 CC#CCOCC#CC 34a_100000761923_100000748600 [0,0,0,0,0,0|2,0,2]=4 150 B8R0.4 CC#CCOCC=CC 34a_100000761923_100000070051 [0,0,0,0,0,0|2,0,2]=4 151 B8R0.4 CC#CCOCCCBr 34a_100011217188_100000748600 [0,0,0,0,0,0|3,0,1]=4 152 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [0,0,0,0,0,0|2,0,1]=3 153 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [0,0,0,0,0,0|2,0,1]=3 154 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [0,0,0,0,0,0|2,0,1]=3 155 B8R0.4 CC#CCOCCCCl 34a_100000230001_100000748600 [0,0,0,0,0,0|3,0,1]=4 156 B8R0.4 CC#CCOCCCF 34a_100000759539_100000748600 [0,0,0,0,0,0|3,0,1]=4 157 B8R0.4 CC#CCOCCCF 34a_100000761923_100011934791 [0,0,0,0,0,0|3,0,1]=4 158 B8R0.4 CC#CCOCCCN 34a_100000182051_100000748600 [0,0,0,0,0,0|3,0,1]=4 159 B8R0.4 CC#CCOCCCO 34a_100000761923_100000230001 [0,0,0,0,0,0|3,0,1]=4 160 B8R0.4 CC#CCOCCOC 34a_100000210237_100000748600 [0,0,0,0,0,0|1,0,1]=2 161 B8R0.4 CC#CCOCCOC 34a_100000761923_100011201679 [0,0,0,0,0,0|1,0,1]=2 162 B8R0.4 CC#CCOCCON 34a_100000700252_100000748600 [0,0,0,0,0,0|2,0,1]=3 163 B8R0.4 CC#CCOCCSC 34a_100000230434_100000748600 [0,0,0,0,0,0|1,1,1]=3 164 B8R0.4 CC#CCOCCSC 34a_100000761923_100000212216 [0,0,0,0,0,0|1,1,1]=3 165 B8R0.4 CC#CCOCCSC 7a_100000230434_100000748600 [0,0,0,0,0,0|1,1,1]=3 166 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [0,0,0,0,0,0|2,1,1]=4 167 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [0,0,0,0,0,0|2,1,1]=4 168 B8R0.4 CC#CCSCCOC 62a_100000233755_100000748600 [0,0,0,0,0,0|1,1,1]=3 169 B8R0.4 CC#CCSCCOC 62a_100000748600_100000233755 [0,0,0,0,0,0|1,1,1]=3 170 B8R0.4 CC#CCSCCSC 62a_100000212216_100000748600 [0,0,0,0,0,0|1,2,1]=4 171 B8R0.4 CC#CCSCCSC 62a_100000748600_100000751147 [0,0,0,0,0,0|1,2,1]=4 172 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [0,0,0,0,0,0|2,0,2]=4 173 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [0,0,0,0,0,0|2,0,2]=4 174 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [0,0,0,0,0,0|2,0,2]=4 175 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [0,0,0,0,0,0|2,0,2]=4 176 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,0,0,0,0,0|3,0,1]=4 178 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [0,0,0,0,0,0|2,0,1]=3 179 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [0,0,0,0,0,0|2,1,1]=4 180 B8R0.4 CC=CCOC/C=C/C 34a_100016270725_100000070051 [0,0,0,0,0,0|2,0,2]=4 181 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [0,0,0,0,0,0|3,0,1]=4 182 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,0,0,0,0,0|2,0,1]=3 183 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,0,0,0,0,0|2,0,1]=3 184 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [0,0,0,0,0,0|3,0,1]=4 185 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [0,0,0,0,0,0|3,0,1]=4 186 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [0,0,0,0,0,0|3,0,1]=4 187 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [0,0,0,0,0,0|1,0,1]=2 188 B8R0.4 CC=CCOCCON 34a_100000700252_100000070051 [0,0,0,0,0,0|2,0,1]=3 189 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [0,0,0,0,0,0|1,1,1]=3 190 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [0,0,0,0,0,0|1,1,1]=3 191 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,0,0,0,0,0|2,1,1]=4 192 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,0,0,0,0,0|2,1,1]=4 193 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [0,0,0,0,0,0|1,1,1]=3 194 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [0,0,0,0,0,0|1,1,1]=3 195 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [0,0,0,0,0,0|1,2,1]=4 196 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [0,0,0,0,0,0|1,2,1]=4 197 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [0,0,0,0,0,0|2,0,1]=3 198 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [0,0,0,0,0,0|2,0,1]=3 199 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [0,0,0,0,0,0|2,0,1]=3 200 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [0,0,0,0,0,0|2,0,1]=3 201 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [0,0,0,0,0,0|2,0,1]=3 202 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [0,0,0,0,0,0|2,0,1]=3 203 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [0,0,0,0,0,0|2,0,1]=3 204 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [0,0,0,0,0,0|2,0,1]=3 205 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [0,0,0,0,0,0|2,0,1]=3 206 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [0,0,0,0,0,0|2,0,1]=3 207 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [0,0,0,0,0,0|2,0,1]=3 208 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [0,0,0,0,0,0|2,0,1]=3 209 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,0,0,0,0,0|3,0,0]=3 210 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,0,0,0,0,0|3,0,0]=3 211 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,0,0,0,0,0|3,0,0]=3 212 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,0,0,0,0,0|3,0,0]=3 213 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,0,0,0,0,0|3,0,0]=3 214 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,0,0,0,0,0|2,0,0]=2 215 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,0,0,0,0,0|2,0,0]=2 216 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,0,0,0,0,0|2,0,0]=2 217 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,0,0,0,0,0|2,0,0]=2 218 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,0,0,0,0,0|2,0,0]=2 219 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,0,0,0,0,0|2,1,0]=3 220 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,0,0,0,0,0|2,1,0]=3 221 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,0,0,0,0,0|2,1,0]=3 222 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,0,0,0,0,0|2,1,0]=3 223 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,0,0,0,0,0|4,0,0]=4 224 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,0,0,0,0,0|4,0,0]=4 225 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,0,0,0,0,0|4,0,0]=4 226 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,0,0,0,0,0|4,0,0]=4 227 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,0,0,0,0,0|4,0,0]=4 228 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,0,0,0,0,0|4,0,0]=4 229 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,0,0,0,0,0|4,0,0]=4 230 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,0,0,0,0,0|4,0,0]=4 231 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,0,0,0,0,0|3,0,0]=3 232 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,0,0,0,0,0|3,1,0]=4 233 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [0,0,0,0,0,0|4,0,0]=4 234 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [0,0,0,0,0,0|4,0,0]=4 235 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [0,0,0,0,0,0|4,0,0]=4 236 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,0,0,0,0,0|3,1,0]=4 237 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,0,0,0,0,0|4,0,0]=4 238 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,0,0,0,0,0|4,0,0]=4 239 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,0,0,0,0,0|3,0,0]=3 240 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,0,0,0,0,0|3,0,0]=3 241 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,0,0,0,0,0|3,1,0]=4 242 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,0,0,0,0,0|3,1,0]=4 243 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [0,0,0,0,0,0|4,0,0]=4 244 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [0,0,0,0,0,0|4,0,0]=4 245 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,0,0,0,0,0|3,0,0]=3 246 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,0,0,0,0,0|3,0,0]=3 247 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,0,0,0,0,0|4,0,0]=4 248 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,0,0,0,0,0|4,0,0]=4 249 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,0,0,0,0,0|4,0,0]=4 250 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,0,0,0,0,0|4,0,0]=4 251 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,0,0,0,0,0|4,0,0]=4 252 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,0,0,0,0,0|4,0,0]=4 253 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,0,0,0,0,0|2,0,0]=2 254 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,0,0,0,0,0|2,0,0]=2 255 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,0,0,0,0,0|2,0,0]=2 256 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,0,0,0,0,0|2,1,0]=3 257 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,0,0,0,0,0|2,1,0]=3 258 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,0,0,0,0,0|2,1,0]=3 259 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [0,0,0,0,0,0|3,0,0]=3 260 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [0,0,0,0,0,0|3,0,0]=3 261 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [0,0,0,0,0,0|2,0,0]=2 262 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [0,0,0,0,0,0|2,0,0]=2 263 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [0,0,0,0,0,0|3,0,0]=3 264 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [0,0,0,0,0,0|3,0,0]=3 265 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [0,0,0,0,0,0|3,0,0]=3 266 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [0,0,0,0,0,0|3,0,0]=3 267 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [0,0,0,0,0,0|3,0,0]=3 268 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,0,0,0,0,0|3,0,0]=3 270 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [0,0,0,0,0,0|2,0,0]=2 271 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [0,0,0,0,0,0|2,0,0]=2 272 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [0,0,0,0,0,0|2,0,0]=2 273 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [0,0,0,0,0,0|1,0,0]=1 274 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [0,0,0,0,0,0|1,0,0]=1 275 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [0,0,0,0,0,0|1,0,0]=1 276 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [0,0,0,0,0,0|1,0,0]=1 277 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [0,0,0,0,0,0|1,0,0]=1 278 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [0,0,0,0,0,0|1,0,0]=1 279 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [0,0,0,0,0,0|2,0,0]=2 280 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [0,0,0,0,0,0|1,0,0]=1 281 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [0,0,0,0,0,0|1,0,0]=1 282 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,0,0,0,0,0|1,1,0]=2 283 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,0,0,0,0,0|1,1,0]=2 284 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,0,0,0,0,0|1,1,0]=2 285 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,0,0,0,0,0|1,1,0]=2 286 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,0,0,0,0,0|1,1,0]=2 287 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,0,0,0,0,0|1,1,0]=2 288 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,0,0,0,0,0|1,1,0]=2 289 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,0,0,0,0,0|1,1,0]=2 290 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,0,0,0,0,0|3,0,0]=3 291 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [0,0,0,0,0,0|3,0,0]=3 292 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,0,0,0,0,0|3,0,0]=3 293 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,0,0,0,0,0|3,0,0]=3 294 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [0,0,0,0,0,0|4,0,0]=4 295 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [0,0,0,0,0,0|4,0,0]=4 296 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [0,0,0,0,0,0|3,1,0]=4 297 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [0,0,0,0,0,0|3,1,0]=4 298 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,0,0,0,0,0|2,1,0]=3 299 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,0,0,0,0,0|3,1,0]=4 300 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,0,0,0,0,0|3,1,0]=4 301 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,0,0,0,0,0|3,1,0]=4 302 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,0,0,0,0,0|3,1,0]=4 303 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,0,0,0,0,0|2,1,0]=3 304 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,0,0,0,0,0|2,1,0]=3 305 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,0,0,0,0,0|1,1,0]=2 306 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,0,0,0,0,0|1,1,0]=2 307 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,0,0,0,0,0|1,1,0]=2 308 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,0,0,0,0,0|1,1,0]=2 309 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,0,0,0,0,0|1,1,0]=2 310 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,0,0,0,0,0|1,1,0]=2 311 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,0,0,0,0,0|1,2,0]=3 312 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,0,0,0,0,0|1,2,0]=3 313 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,0,0,0,0,0|3,1,0]=4 314 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,0,0,0,0,0|3,1,0]=4 315 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,0,0,0,0,0|3,0,0]=3 316 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,0,0,0,0,0|3,1,0]=4 317 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [0,0,0,0,0,0|4,0,0]=4 318 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [0,0,0,0,0,0|4,0,0]=4 319 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [0,0,0,0,0,0|4,0,0]=4 320 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [0,0,0,0,0,0|4,0,0]=4 321 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [0,0,0,0,0,0|4,0,0]=4 322 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,0,0,0,0,0|3,0,0]=3 323 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,0,0,0,0,0|3,0,0]=3 324 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,0,0,0,0,0|3,1,0]=4 325 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,0,0,0,0,0|3,1,0]=4 326 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,0,0,0,0,0|3,0,0]=3 327 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,0,0,0,0,0|3,0,0]=3 328 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,0,0,0,0,0|3,0,0]=3 329 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [0,0,0,0,0,0|2,0,0]=2 330 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,0,0,0,0,0|3,0,0]=3 331 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,0,0,0,0,0|3,0,0]=3 332 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,0,0,0,0,0|3,1,0]=4 333 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,0,0,0,0,0|3,1,0]=4 334 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [0,0,0,0,0,0|4,0,0]=4 335 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [0,0,0,0,0,0|4,0,0]=4 336 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [0,0,0,0,0,0|4,0,0]=4 337 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,0,0,0,0,0|2,1,0]=3 338 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,0,0,0,0,0|2,1,0]=3 339 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,0,0,0,0,0|2,2,0]=4 340 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,0,0,0,0,0|2,2,0]=4 341 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,0,0,0,0,0|3,0,0]=3 342 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,0,0,0,0,0|3,0,0]=3 343 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [0,0,0,0,0,0|4,0,0]=4 344 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [0,0,0,0,0,0|4,0,0]=4 345 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [0,0,0,0,0,0|4,0,0]=4 346 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [0,0,0,0,0,0|2,0,0]=2 347 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [0,0,0,0,0,0|2,0,0]=2 348 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [0,0,0,0,0,0|4,0,0]=4 349 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [0,0,0,0,0,0|4,0,0]=4 350 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,0,0,0,0,0|4,0,0]=4 351 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,0,0,0,0,0|4,0,0]=4 352 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,0,0,0,0,0|4,0,0]=4 353 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,0,0,0,0,0|4,0,0]=4 354 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,0,0,0,0,0|4,0,0]=4 355 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,0,0,0,0,0|4,0,0]=4 356 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,0,0,0,0,0|4,0,0]=4 357 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,0,0,0,0,0|4,0,0]=4 358 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,0,0,0,0,0|4,0,0]=4 359 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,0,0,0,0,0|4,0,0]=4 360 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,0,0,0,0,0|2,0,0]=2 361 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,0,0,0,0,0|2,0,0]=2 362 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,0,0,0,0,0|2,0,0]=2 363 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,0,0,0,0,0|2,0,0]=2 364 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [0,0,0,0,0,0|3,1,0]=4 365 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [0,0,0,0,0,0|1,0,0]=1 366 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [0,0,0,0,0,0|1,0,0]=1 367 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [0,0,0,0,0,0|1,0,0]=1 368 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [0,0,0,0,0,0|1,0,0]=1 369 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [0,0,0,0,0,0|1,0,0]=1 370 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [0,0,0,0,0,0|1,0,0]=1 371 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [0,0,0,0,0,0|1,0,0]=1 372 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,0,0,0,0,0|3,0,0]=3 373 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,0,0,0,0,0|3,0,0]=3 374 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,0,0,0,0,0|3,0,0]=3 375 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,0,0,0,0,0|3,0,0]=3 376 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,0,0,0,0,0|3,0,0]=3 377 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,0,0,0,0,0|3,0,0]=3 378 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,0,0,0,0,0|3,0,0]=3 379 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,0,0,0,0,0|3,0,0]=3 380 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,0,0,0,0,0|3,0,0]=3 381 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,0,0,0,0,0|2,0,0]=2 382 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,0,0,0,0,0|2,0,0]=2 383 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,0,0,0,0,0|4,0,0]=4 384 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,0,0,0,0,0|4,0,0]=4 385 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,0,0,0,0,0|4,0,0]=4 386 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,0,0,0,0,0|4,0,0]=4 387 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [0,0,0,0,0,0|4,0,0]=4 388 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [0,0,0,0,0,0|4,0,0]=4 389 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,0,0,0,0,0|4,0,0]=4 390 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,0,0,0,0,0|4,0,0]=4 391 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,0,0,0,0,0|4,0,0]=4 392 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,0,0,0,0,0|2,1,0]=3 393 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,0,0,0,0,0|4,0,0]=4 394 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [0,0,0,0,0,0|4,0,0]=4 395 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [0,0,0,0,0,0|4,0,0]=4 396 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [0,0,0,0,0,0|4,0,0]=4 397 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [0,0,0,0,0,0|4,0,0]=4 398 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [0,0,0,0,0,0|2,1,0]=3 399 B8R0.4 COCCCSCC#N 62a_100000709357_100011215382 [0,0,0,0,0,0|4,0,0]=4 400 B8R0.4 COCCCSCC#N 62a_100011215382_100000709357 [0,0,0,0,0,0|4,0,0]=4 401 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,0,0,0,0,0|4,0,0]=4 402 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,0,0,0,0,0|4,0,0]=4 403 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,0,0,0,0,0|4,0,0]=4 404 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,0,0,0,0,0|4,0,0]=4 405 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,0,0,0,0,0|4,0,0]=4 406 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,0,0,0,0,0|4,0,0]=4 407 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,0,0,0,0,0|2,0,0]=2 408 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,0,0,0,0,0|2,0,0]=2 409 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,0,0,0,0,0|2,1,0]=3 410 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,0,0,0,0,0|2,1,0]=3 411 B8R0.4 COCCNCCC#N 2230a_100000209980_100011215226 [0,0,0,0,0,0|3,0,0]=3 412 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [0,0,0,0,0,0|3,0,0]=3 413 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [0,0,0,0,0,0|3,0,0]=3 414 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [0,0,0,0,0,0|3,0,0]=3 415 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,0,0,0,0,0|3,0,0]=3 416 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [0,0,0,0,0,0|1,0,0]=1 417 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,0,0,0,0,0|1,1,0]=2 418 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,0,0,0,0,0|1,1,0]=2 419 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [0,0,0,0,0,0|2,0,0]=2 420 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [0,0,0,0,0,0|2,0,0]=2 421 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [0,0,0,0,0,0|2,0,0]=2 422 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [0,0,0,0,0,0|2,0,0]=2 423 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [0,0,0,0,0,0|2,0,0]=2 424 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [0,0,0,0,0,0|2,0,0]=2 425 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [0,0,0,0,0,0|1,0,0]=1 426 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [0,0,0,0,0,0|1,0,0]=1 427 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [0,0,0,0,0,0|0,0,0]=0 428 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [0,0,0,0,0,0|0,0,0]=0 429 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [0,0,0,0,0,0|0,0,0]=0 430 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [0,0,0,0,0,0|0,0,0]=0 431 B8R0.4 COCCOCCON 34a_100000700252_100011201679 [0,0,0,0,0,0|1,0,0]=1 432 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [0,0,0,0,0,0|0,0,0]=0 433 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [0,0,0,0,0,0|0,0,0]=0 434 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [0,0,0,0,0,0|0,1,0]=1 435 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [0,0,0,0,0,0|0,1,0]=1 436 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [0,0,0,0,0,0|0,1,0]=1 437 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [0,0,0,0,0,0|0,1,0]=1 438 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [0,0,0,0,0,0|0,1,0]=1 439 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [0,0,0,0,0,0|0,1,0]=1 440 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [0,0,0,0,0,0|0,1,0]=1 441 B8R0.4 COCCOCSCF 62a_100000231047_100015361967 [0,0,0,0,0,0|3,0,0]=3 442 B8R0.4 COCCOCSCF 62a_100015361967_100000231047 [0,0,0,0,0,0|3,0,0]=3 443 B8R0.4 COCCSCCC#N 62a_100000233755_100011215226 [0,0,0,0,0,0|2,1,0]=3 444 B8R0.4 COCCSCCC#N 62a_100011215226_100000233755 [0,0,0,0,0,0|2,1,0]=3 445 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,0,0,0,0,0|2,1,0]=3 446 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,0,0,0,0,0|2,1,0]=3 447 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,0,0,0,0,0|2,1,0]=3 448 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,0,0,0,0,0|2,1,0]=3 449 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [0,0,0,0,0,0|0,1,0]=1 450 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,0,0,0,0,0|0,2,0]=2 451 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,0,0,0,0,0|0,2,0]=2 452 B8R0.4 COCCSCSC#N 62a_100000211825_100000233755 [0,0,0,0,0,0|3,1,0]=4 453 B8R0.4 COCCSCSC#N 62a_100000233755_100000211825 [0,0,0,0,0,0|3,1,0]=4 454 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [0,0,0,0,0,0|4,0,0]=4 455 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [0,0,0,0,0,0|2,1,0]=3 456 B8R0.4 COCSCCCC#N 62a_100000687738_100000766300 [0,0,0,0,0,0|4,0,0]=4 457 B8R0.4 COCSCCCC#N 62a_100000766300_100000687738 [0,0,0,0,0,0|4,0,0]=4 458 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,0,0,0,0,0|4,0,0]=4 459 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,0,0,0,0,0|4,0,0]=4 460 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [0,0,0,0,0,0|4,0,0]=4 461 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [0,0,0,0,0,0|4,0,0]=4 462 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,0,0,0,0,0|4,0,0]=4 463 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,0,0,0,0,0|4,0,0]=4 464 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [0,0,0,0,0,0|3,1,0]=4 465 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [0,0,0,0,0,0|3,1,0]=4 466 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,0,0,0,0,0|3,1,0]=4 467 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,0,0,0,0,0|3,1,0]=4 468 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,0,0,0,0,0|3,1,0]=4 469 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,0,0,0,0,0|3,1,0]=4 470 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,0,0,0,0,0|3,1,0]=4 471 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,0,0,0,0,0|3,1,0]=4 472 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [0,0,0,0,0,0|2,2,0]=4 473 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [0,0,0,0,0,0|2,2,0]=4 474 B8R0.4 CSCCNCCC#N 2230a_100020590264_100011215226 [0,0,0,0,0,0|3,1,0]=4 475 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,0,0,0,0,0|3,1,0]=4 476 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,0,0,0,0,0|3,1,0]=4 477 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,0,0,0,0,0|3,1,0]=4 478 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,0,0,0,0,0|3,1,0]=4 479 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,0,0,0,0,0|1,2,0]=3 480 B8R0.4 CSCCOCCC#N 7a_100000230434_100000184422 [0,0,0,0,0,0|2,1,0]=3 481 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [0,0,0,0,0,0|2,1,0]=3 482 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,0,0,0,0,0|2,1,0]=3 483 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [0,0,0,0,0,0|2,1,0]=3 484 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [0,0,0,0,0,0|2,1,0]=3 485 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [0,0,0,0,0,0|2,1,0]=3 486 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,0,0,0,0,0|2,1,0]=3 487 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,0,0,0,0,0|2,1,0]=3 488 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,0,0,0,0,0|2,1,0]=3 489 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [0,0,0,0,0,0|1,1,0]=2 490 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [0,0,0,0,0,0|0,2,0]=2 491 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [0,0,0,0,0,0|0,2,0]=2 492 B8R0.4 CSCCSCCC#N 62a_100000212216_100011215226 [0,0,0,0,0,0|2,2,0]=4 493 B8R0.4 CSCCSCCC#N 62a_100011215226_100000751147 [0,0,0,0,0,0|2,2,0]=4 494 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,0,0,0,0,0|2,2,0]=4 495 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,0,0,0,0,0|2,2,0]=4 496 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,0,0,0,0,0|2,2,0]=4 497 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,0,0,0,0,0|2,2,0]=4 498 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [0,0,0,0,0,0|0,3,0]=3 499 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [0,0,0,0,0,0|4,0,0]=4 500 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [0,0,0,0,0,0|4,0,0]=4 501 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [0,0,0,0,0,0|4,0,0]=4 502 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [0,0,0,0,0,0|4,0,0]=4 503 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [0,0,0,0,0,0|4,0,0]=4 504 B8R0.4 NOCCOCCCF 34a_100000700252_100011934791 [0,0,0,0,0,0|3,0,0]=3 505 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [0,0,0,0,0,0|3,0,0]=3 506 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [0,0,0,0,0,0|4,0,0]=4 507 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [0,0,0,0,0,0|4,0,0]=4 508 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [0,0,0,0,0,0|4,0,0]=4 509 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,0,0,0,0,0|4,0,0]=4 510 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,0,0,0,0,0|4,0,0]=4 511 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,0,0,0,0,0|3,0,0]=3 512 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,0,0,0,0,0|3,0,0]=3 513 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,0,0,0,0,0|3,0,0]=3 514 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,0,0,0,0,0|3,0,0]=3 515 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,0,0,0,0,0|3,0,0]=3 516 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,0,0,0,0,0|3,0,0]=3 517 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,0,0,0,0,0|3,0,0]=3 518 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [0,0,0,0,0,0|3,1,0]=4 519 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [0,0,0,0,0,0|3,1,0]=4 520 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,0,0,0,0,0|3,1,0]=4 521 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,0,0,0,0,0|3,1,0]=4 522 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,0,0,0,0,0|3,1,0]=4 523 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,0,0,0,0,0|3,1,0]=4 524 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,0,0,0,0,0|3,1,0]=4 525 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,0,0,0,0,0|3,1,0]=4 526 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,0,0,0,0|2,0,1]=4 529 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,0,0,0,0|2,0,1]=4 531 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,0,0,0,0|2,0,1]=4 532 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,0,0,0,0|2,0,1]=4 533 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|1,0,1]=3 534 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|1,0,1]=3 535 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|1,0,1]=3 536 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|1,0,1]=3 537 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|1,0,1]=3 538 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|1,1,1]=4 539 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|1,1,1]=4 540 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|1,1,1]=4 541 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|1,1,1]=4 542 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,0,0,0,0,0|2,0,1]=4 543 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [1,0,0,0,0,0|2,0,1]=4 544 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [1,0,0,0,0,0|2,0,1]=4 545 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [1,0,0,0,0,0|2,0,1]=4 546 B7R0.1 C#CCCOCCBr 34a_100000211926_100000688953 [1,0,0,0,0,0|2,0,1]=4 547 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,0,0,0,0,0|1,0,1]=3 548 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,0,0,0,0,0|1,0,1]=3 549 B7R0.1 C#CCCOCCF 34a_100011215631_100011217306 [1,0,0,0,0,0|2,0,1]=4 550 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [1,0,0,0,0,0|2,0,1]=4 551 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [1,0,0,0,0,0|1,0,1]=3 552 B7R0.1 C#CCCOCSC 34a_100011215631_100011218213 [1,0,0,0,0,0|1,1,1]=4 553 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,0,0,0,0,0|1,1,1]=4 554 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,0,0,0,0,0|1,1,1]=4 555 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [1,0,0,0,0,0|1,1,1]=4 556 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [1,0,0,0,0,0|1,1,1]=4 557 B7R0.1 C#CCCSCOC 62a_100000688953_100000766300 [1,0,0,0,0,0|1,1,1]=4 558 B7R0.1 C#CCCSCOC 62a_100000766300_100000688953 [1,0,0,0,0,0|1,1,1]=4 559 B7R0.1 C#CCNCCOC 2230a_100000209980_100000038162 [1,0,0,0,0,0|1,0,2]=4 560 B7R0.1 C#CCNCCOC 34a_100000212058_100011201679 [1,0,0,0,0,0|1,0,2]=4 561 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,0,0,0,0,0|1,0,2]=4 562 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,0,0,0,0,0|1,0,2]=4 563 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,0,0,0,0,0|1,0,2]=4 564 B7R0.1 C#CCOCCNC 2230a_100000700922_200000210301 [1,0,0,0,0,0|1,0,2]=4 565 B7R0.1 C#CCOCCNC 2230a_106832991635_100010402529 [1,0,0,0,0,0|1,0,2]=4 566 B7R0.1 C#CCOCCNC 34a_100000700922_200000210301 [1,0,0,0,0,0|1,0,2]=4 567 B7R0.1 C#CCOCCNC 34a_100102657272_100010402529 [1,0,0,0,0,0|1,0,2]=4 568 B7R0.1 C#CCOCCNC 7a_106832991635_100010402529 [1,0,0,0,0,0|1,0,2]=4 569 B7R0.1 C#CCOCCN[13CH3] 2230a_100000700922_200025704644 [1,0,0,0,0,0|1,0,2]=4 570 B7R0.1 C#CCOCCN[13CH3] 34a_100000700922_200025704644 [1,0,0,0,0,0|1,0,2]=4 571 B7R0.1 C#CCOCCOC 34a_100000054580_200000210301 [1,0,0,0,0,0|0,0,2]=3 572 B7R0.1 C#CCOCCOC 34a_100000210237_100000184674 [1,0,0,0,0,0|0,0,2]=3 573 B7R0.1 C#CCOCCOC 34a_100000210247_100011201679 [1,0,0,0,0,0|0,0,2]=3 574 B7R0.1 C#CCOCCOC 34a_100138415774_100010402529 [1,0,0,0,0,0|0,0,2]=3 575 B7R0.1 C#CCOCCOC 7a_100000054580_200000210301 [1,0,0,0,0,0|0,0,2]=3 576 B7R0.1 C#CCOCCON 34a_100000700252_100000184674 [1,0,0,0,0,0|1,0,2]=4 577 B7R0.1 C#CCOCCO[13CH3] 34a_100000054580_200025704644 [1,0,0,0,0,0|0,0,2]=3 578 B7R0.1 C#CCOCCO[13CH3] 7a_100000054580_200025704644 [1,0,0,0,0,0|0,0,2]=3 579 B7R0.1 C#CCOCCSC 34a_100000210247_100000212216 [1,0,0,0,0,0|0,1,2]=4 580 B7R0.1 C#CCOCCSC 34a_100000230434_100000184674 [1,0,0,0,0,0|0,1,2]=4 581 B7R0.1 C#CCOCCSC 62a_100010402529_200000210301 [1,0,0,0,0,0|0,1,2]=4 582 B7R0.1 C#CCOCCSC 62a_200000210301_100010402529 [1,0,0,0,0,0|0,1,2]=4 583 B7R0.1 C#CCOCCSC 7a_100000230434_100000038162 [1,0,0,0,0,0|0,1,2]=4 584 B7R0.1 C#CCOCCS[13CH3] 62a_100010402529_200025704644 [1,0,0,0,0,0|0,1,2]=4 585 B7R0.1 C#CCOCCS[13CH3] 62a_200025704644_100010402529 [1,0,0,0,0,0|0,1,2]=4 586 B7R0.1 C#CCSCCOC 62a_100000038162_100000233755 [1,0,0,0,0,0|0,1,2]=4 587 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,0,0,0,0|2,0,1]=4 588 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,0,0,0,0,0|2,0,1]=4 589 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,1]=3 590 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,1]=3 591 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,0,0,0,0,0|2,0,1]=4 592 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,0,0,0,0,0|2,0,1]=4 593 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,0,0,0,0|1,0,1]=3 594 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,0,0,0,0,0|1,1,1]=4 595 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,1,1]=4 596 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,1,1]=4 597 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,0,0,0,0|1,1,1]=4 598 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,0,0,0,0|1,1,1]=4 599 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,0,0,0,0,0|1,1,1]=4 600 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,0,0,0,0,0|1,1,1]=4 601 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|2,0,1]=4 602 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|2,0,1]=4 603 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|2,0,1]=4 604 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|2,0,1]=4 605 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|2,0,1]=4 606 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|2,0,1]=4 607 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|2,0,1]=4 608 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,0,1]=3 609 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,0,1]=3 610 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,0,1]=3 611 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,0,1]=3 612 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,0,1]=3 613 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,1,1]=4 614 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,1,1]=4 615 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,1,1]=4 616 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,1,1]=4 617 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,0,0,0,0,0|2,0,1]=4 623 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|1,0,1]=3 624 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|1,0,1]=3 625 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,0,0,0,0,0|2,0,1]=4 626 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,0,0,0,0,0|2,0,1]=4 627 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|1,0,1]=3 628 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|1,1,1]=4 629 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|1,1,1]=4 630 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|1,1,1]=4 631 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|1,1,1]=4 632 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|1,1,1]=4 633 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,0,0,0,0,0|1,1,1]=4 634 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,0,0,0,0,0|1,1,1]=4 635 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,0,0,0,0,0|1,0,2]=4 636 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,0,0,0,0,0|1,0,2]=4 637 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 638 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,2]=4 639 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 640 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,0,0,0,0,0|0,0,2]=3 641 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,0,0,0,0,0|0,0,2]=3 642 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,0,0,0,0,0|0,0,2]=3 643 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,0,0,0,0,0|0,0,2]=3 644 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [1,0,0,0,0,0|1,0,2]=4 645 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,0,0,0,0,0|0,0,2]=3 646 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,0,0,0,0,0|0,0,2]=3 647 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,0,0,0,0|0,1,2]=4 648 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,0,0,0,0|0,1,2]=4 649 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,0,0,0,0|0,1,2]=4 650 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,0,0,0,0,0|0,1,2]=4 651 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,0,0,0,0,0|0,1,2]=4 652 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,0,0,0,0,0|2,0,1]=4 653 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,0,0,0,0,0|2,0,1]=4 654 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [1,0,0,0,0,0|2,0,1]=4 655 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [1,0,0,0,0,0|2,0,1]=4 656 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [1,0,0,0,0,0|2,0,1]=4 657 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [1,0,0,0,0,0|2,0,1]=4 658 B7R0.1 CC#CCNCOC 2230a_100000685387_100000766300 [1,0,0,0,0,0|2,0,1]=4 659 B7R0.1 CC#CCOCCBr 34a_100000211926_100000748600 [1,0,0,0,0,0|2,0,1]=4 660 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,0,0,0,0,0|1,0,1]=3 661 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,0,0,0,0,0|1,0,1]=3 662 B7R0.1 CC#CCOCCF 34a_100000761923_100011217306 [1,0,0,0,0,0|2,0,1]=4 663 B7R0.1 CC#CCOCCN 34a_100000210304_100000748600 [1,0,0,0,0,0|2,0,1]=4 664 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [1,0,0,0,0,0|1,0,1]=3 665 B7R0.1 CC#CCOCSC 34a_100000761923_100011218213 [1,0,0,0,0,0|1,1,1]=4 666 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,0,0,0,0,0|1,1,1]=4 667 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,0,0,0,0,0|1,1,1]=4 668 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [1,0,0,0,0,0|1,1,1]=4 669 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [1,0,0,0,0,0|1,1,1]=4 670 B7R0.1 CC#CCSCOC 62a_100000748600_100000766300 [1,0,0,0,0,0|1,1,1]=4 671 B7R0.1 CC#CCSCOC 62a_100000766300_100000748600 [1,0,0,0,0,0|1,1,1]=4 672 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 673 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|2,0,1]=4 674 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 675 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|1,0,1]=3 676 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|1,0,1]=3 677 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|1,0,1]=3 678 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|1,0,1]=3 679 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|1,0,1]=3 680 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,1,1]=4 681 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,1,1]=4 682 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,1,1]=4 683 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,1,1]=4 684 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,0,0,0,0,0|1,0,2]=4 685 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,0,0,0,0,0|1,0,2]=4 686 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,1]=3 687 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,1]=3 688 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,0,0,0,0|2,0,1]=4 689 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,0,0,0,0|2,0,1]=4 690 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,0,0,0,0,0|2,0,1]=4 691 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,1]=3 692 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,0,0,0,0,0|2,0,1]=4 693 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,1,1]=4 694 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,1,1]=4 695 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,0,0,0,0|1,1,1]=4 696 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,0,0,0,0|1,1,1]=4 697 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,0,0,0,0,0|1,1,1]=4 698 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,0,0,0,0,0|1,1,1]=4 699 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,0,0,0,0,0|1,0,1]=3 700 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,0,0,0,0,0|1,0,1]=3 701 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,0,0,0,0,0|1,0,1]=3 702 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,0,0,0,0,0|1,0,1]=3 703 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|1,0,1]=3 704 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|1,0,1]=3 705 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|1,0,1]=3 706 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|1,0,1]=3 707 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,0,0,0,0,0|1,0,1]=3 708 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,0,0,0,0,0|1,0,1]=3 709 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,0,0,0,0,0|1,0,1]=3 710 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,0,0,0,0,0|1,0,1]=3 711 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|2,0,0]=3 712 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|2,0,0]=3 713 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|2,0,0]=3 714 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|2,0,0]=3 715 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|2,0,0]=3 716 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,0]=2 717 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,0]=2 718 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,0]=2 719 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,0]=2 720 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,0]=2 721 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,1,0]=3 722 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,1,0]=3 723 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,1,0]=3 724 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,1,0]=3 725 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|3,0,0]=4 726 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|3,0,0]=4 727 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|3,0,0]=4 728 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|3,0,0]=4 729 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|3,0,0]=4 730 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|3,0,0]=4 731 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|3,0,0]=4 732 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|2,0,0]=3 733 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|2,0,0]=3 734 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|3,0,0]=4 735 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|3,0,0]=4 736 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|3,0,0]=4 737 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|2,0,0]=3 738 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|2,0,0]=3 739 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|2,0,0]=3 740 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|2,0,0]=3 741 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,0]=3 742 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,1,0]=4 743 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,0,0,0,0,0|2,0,1]=4 744 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|1,0,2]=4 745 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|1,0,2]=4 746 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,0]=3 747 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,0]=2 748 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,0]=2 749 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,0]=2 750 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,0]=3 751 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,0]=3 752 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,0]=3 753 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|1,0,0]=2 754 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|1,0,0]=2 755 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,0]=3 756 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,0]=3 757 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|1,0,0]=2 758 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|1,1,0]=3 759 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|1,1,0]=3 760 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|1,1,0]=3 761 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|1,1,0]=3 762 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|1,1,0]=3 763 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,1,0]=3 764 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,1,0]=3 765 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,1,0]=4 766 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,1,0]=4 767 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|1,1,0]=3 768 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|1,1,0]=3 769 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|1,1,0]=3 770 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|1,1,0]=3 771 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|1,2,0]=4 772 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|1,2,0]=4 773 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|3,0,0]=4 774 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|3,0,0]=4 775 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|1,0,0]=2 776 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|1,1,0]=3 777 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,0]=3 778 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,0]=3 779 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,0]=3 780 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,0]=3 781 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,0]=3 782 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|2,0,0]=3 783 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|1,0,0]=2 784 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|1,0,0]=2 785 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|1,0,0]=2 786 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|1,0,0]=2 787 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|1,0,0]=2 788 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|1,0,0]=2 789 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|1,0,0]=2 790 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|0,0,0]=1 791 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|0,0,0]=1 792 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|0,0,0]=1 793 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|0,0,0]=1 794 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|0,0,0]=1 795 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|1,0,0]=2 796 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|0,0,0]=1 797 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|0,0,0]=1 798 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|0,1,0]=2 799 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|0,1,0]=2 800 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|0,1,0]=2 801 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|0,1,0]=2 802 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|0,1,0]=2 803 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|0,1,0]=2 804 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|0,1,0]=2 805 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,0,0,0,0,0|2,1,0]=4 806 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,0,0,0,0,0|2,1,0]=4 807 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,1,0]=4 808 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,1,0]=4 809 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|2,1,0]=4 810 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|2,1,0]=4 811 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|1,1,0]=3 812 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|1,1,0]=3 813 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|0,1,0]=2 814 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|0,1,0]=2 815 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|0,1,0]=2 816 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|0,1,0]=2 817 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|0,1,0]=2 818 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|0,1,0]=2 819 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|0,2,0]=3 820 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|0,2,0]=3 821 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,1,0]=4 822 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,1,0]=4 823 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|3,0,0]=4 824 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|3,0,0]=4 825 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|3,0,0]=4 826 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|2,0,0]=3 827 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|2,0,0]=3 828 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|2,1,0]=4 829 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|3,0,0]=4 830 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|3,0,0]=4 831 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|3,0,0]=4 832 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|3,0,0]=4 833 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|3,0,0]=4 834 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|3,0,0]=4 835 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|3,0,0]=4 836 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|3,0,0]=4 837 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|3,0,0]=4 838 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|2,0,0]=3 839 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 840 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|2,0,0]=3 841 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|2,0,0]=3 842 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 843 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 844 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 845 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,1,0]=4 846 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,1,0]=4 847 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,1,0]=4 848 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,1,0]=4 849 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,1,0]=4 850 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,1,0]=4 851 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,0,0,0,0,0|2,1,0]=4 852 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,0,0,0,0,0|2,1,0]=4 853 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,0,0,0,0,0|2,1,0]=4 854 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,0,0,0,0,0|2,1,0]=4 855 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|3,0,0]=4 856 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|3,0,0]=4 857 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 858 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|2,0,0]=3 859 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|2,0,0]=3 860 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 861 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 862 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 863 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,0,0,0,0|3,0,0]=4 864 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,0,0,0,0|3,0,0]=4 865 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|3,0,0]=4 866 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|3,0,0]=4 867 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|3,0,0]=4 868 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|3,0,0]=4 869 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|3,0,0]=4 870 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 871 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|2,0,0]=3 872 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 873 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|2,0,0]=3 874 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|2,0,0]=3 875 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|1,0,0]=2 876 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|1,0,0]=2 877 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|1,0,0]=2 878 B7R0.1 CNCCOCC#N 2230a_106832991635_200000047693 [1,0,0,0,0,0|2,0,1]=4 879 B7R0.1 CNCCOCC#N 7a_106832991635_200000047693 [1,0,0,0,0,0|2,0,1]=4 880 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,0,0,0,0,0|1,0,0]=2 881 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,0,0,0,0,0|1,0,0]=2 882 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,0,0,0,0,0|1,0,0]=2 883 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,0,0,0,0,0|1,0,0]=2 884 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,0,0,0,0,0|1,0,0]=2 885 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,0,0,0,0,0|1,1,0]=3 886 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,0,0,0,0,0|1,0,0]=2 887 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 888 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 889 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 890 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 891 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,0]=3 892 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 893 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 894 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 895 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|1,0,0]=2 896 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|0,0,0]=1 897 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|0,0,0]=1 898 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|0,0,0]=1 899 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|0,1,0]=2 900 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|0,1,0]=2 901 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|0,1,0]=2 902 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|0,1,0]=2 903 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|0,1,0]=2 904 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|0,1,0]=2 905 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,0,0,0,0,0|3,0,0]=4 906 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|3,0,0]=4 907 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,0,0,0,0,0|3,0,0]=4 908 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,0,0,0,0,0|3,0,0]=4 909 B7R0.1 COCCNCC#N 2230a_100000209980_100011215382 [1,0,0,0,0,0|2,0,1]=4 910 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,0,0,0,0|1,0,2]=4 911 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,0,0,0,0,0|2,0,0]=3 912 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,0,0,0,0,0|2,0,0]=3 913 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,0,0,0,0|1,0,0]=2 914 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,0,0,0,0|1,0,0]=2 915 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,0,0,0,0|1,0,0]=2 916 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,0,0,0,0,0|1,0,0]=2 917 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,0,0,0,0,0|1,1,0]=3 918 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,0,0,0,0|0,0,2]=3 919 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,0,0,0,0,0|1,0,0]=2 920 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,0,0,0,0,0|1,0,0]=2 921 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,0,0,0,0,0|1,0,0]=2 922 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,0,0,0,0,0|1,0,0]=2 923 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,0,0,0,0,0|1,0,0]=2 924 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,0,0,0,0,0|1,0,0]=2 925 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,0,0,0,0,0|1,0,0]=2 926 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,0,0,0,0,0|1,0,0]=2 927 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,0,0,0,0,0|1,0,0]=2 928 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,0,0,0,0,0|1,0,0]=2 929 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,0,0,0,0,0|1,0,0]=2 930 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,0,0,0,0,0|1,0,0]=2 931 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|0,0,0]=1 932 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|0,0,0]=1 933 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|0,1,0]=2 934 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|0,1,0]=2 935 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|0,1,0]=2 936 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|0,1,0]=2 937 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|0,1,0]=2 938 B7R0.1 COCCSCC#N 62a_100000233755_100011215382 [1,0,0,0,0,0|1,1,1]=4 939 B7R0.1 COCCSCC#N 62a_100011215382_100000233755 [1,0,0,0,0,0|1,1,1]=4 940 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,0,0,0,0|0,1,2]=4 941 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,0,0,0,0|0,1,2]=4 942 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,0,0,0,0,0|1,1,0]=3 943 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,0,0,0,0,0|1,1,0]=3 944 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,0,0,0,0,0|0,1,0]=2 945 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,0,0,0,0,0|0,1,0]=2 946 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,0,0,0,0,0|0,1,0]=2 947 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,0,0,0,0,0|0,1,0]=2 948 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,0,0,0,0,0|0,2,0]=3 949 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,0,0,0,0,0|0,2,0]=3 950 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,0,0,0,0,0|3,0,0]=4 951 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|1,1,0]=3 952 B7R0.1 COCSCCC#N 62a_100000766300_100011215226 [1,0,0,0,0,0|2,1,0]=4 953 B7R0.1 COCSCCC#N 62a_100011215226_100000766300 [1,0,0,0,0,0|2,1,0]=4 954 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,0,0,0,0,0|2,1,0]=4 955 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,0,0,0,0,0|2,1,0]=4 956 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,0,0,0,0,0|2,0,0]=3 957 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,0,0,0,0,0|2,0,0]=3 958 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|0,2,0]=3 959 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|0,2,0]=3 960 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,1,0]=4 961 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,1,0]=4 962 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|2,1,0]=4 963 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|2,1,0]=4 964 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,1,0]=4 965 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,1,0]=4 966 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|1,1,0]=3 967 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|1,1,0]=3 968 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|0,1,0]=2 969 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|0,1,0]=2 970 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,0,0,0,0,0|2,1,0]=4 971 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,0,0,0,0,0|2,1,0]=4 972 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,0,0,0,0|1,1,0]=3 973 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,0,0,0,0|1,1,0]=3 974 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,0,0,0,0|1,1,0]=3 975 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,0,0,0,0,0|1,2,0]=4 976 B7R0.1 CSCCOCC#N 62a_200000047693_200000210301 [1,0,0,0,0,0|1,1,1]=4 977 B7R0.1 CSCCOCC#N 62a_200000210301_200000047693 [1,0,0,0,0,0|1,1,1]=4 978 B7R0.1 CSCCOCC#N 7a_100000230434_100011215382 [1,0,0,0,0,0|1,1,1]=4 979 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,0,0,0,0|0,1,2]=4 980 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,0,0,0,0|0,1,2]=4 981 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,0,0,0,0,0|1,1,0]=3 982 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,0,0,0,0,0|1,1,0]=3 983 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,0,0,0,0,0|1,1,0]=3 984 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,0,0,0,0,0|1,1,0]=3 985 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|0,1,0]=2 986 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|0,1,0]=2 987 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|0,1,0]=2 988 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|0,1,0]=2 989 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,0,0,0,0,0|0,2,0]=3 990 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,0,0,0,0,0|1,2,0]=4 991 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,0,0,0,0,0|1,2,0]=4 992 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,0,0,0,0,0|0,2,0]=3 993 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,0,0,0,0,0|0,2,0]=3 994 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,0,0,0,0,0|0,3,0]=4 995 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,0,0,0,0,0|0,3,0]=4 996 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,0,0,0,0,0|2,1,0]=4 997 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,0,0,0,0,0|2,1,0]=4 998 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,0,0,0,0,0|2,1,0]=4 999 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,0,0,0,0,0|2,1,0]=4 1000 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [1,0,0,0,0,0|1,1,0]=3 1001 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,0,0,0,0,0|2,1,0]=4 1002 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,0,0,0,0,0|2,1,0]=4 1003 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,0,0,0,0,0|3,0,0]=4 1004 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,0,0,0,0,0|3,0,0]=4 1005 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,0,0,0,0,0|3,0,0]=4 1006 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,0,0,0,0,0|3,0,0]=4 1007 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [1,0,0,0,0,0|3,0,0]=4 1008 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [1,0,0,0,0,0|2,1,0]=4 1009 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [1,0,0,0,0,0|2,1,0]=4 1010 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,0,0,0,0,0|3,0,0]=4 1011 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,0,0,0,0|2,0,0]=3 1012 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,0,0,0,0,0|3,0,0]=4 1013 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,0,0,0,0|3,0,0]=4 1014 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [1,0,0,0,0,0|1,0,2]=4 1015 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [1,0,0,0,0,0|2,0,0]=3 1016 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [1,0,0,0,0,0|1,0,0]=2 1017 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,0,0,0,0|3,0,0]=4 1018 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,0,0,0,0|3,0,0]=4 1019 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,0,0,0,0|3,0,0]=4 1020 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,0,0,0,0,0|2,1,0]=4 1021 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,0,0,0,0,0|2,1,0]=4 1022 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,0,0,0,0,0|3,0,0]=4 1023 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,0,0,0,0,0|3,0,0]=4 1024 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,0,0,0,0,0|3,0,0]=4 1025 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,0,0,0,0,0|3,0,0]=4 1026 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,0,0,0,0|2,0,0]=3 1027 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,0,0,0,0|2,0,0]=3 1028 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,0,0,0,0|2,0,0]=3 1029 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,0,0,0,0,0|2,1,0]=4 1030 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,0,0,0,0,0|2,1,0]=4 1031 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1032 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1033 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,0,0,0,0,0|1,0,0]=2 1034 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,0,0,0,0,0|1,0,0]=2 1035 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,0,0,0,0,0|1,1,0]=3 1036 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1037 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1038 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1039 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1040 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1041 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1042 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1043 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,0,0,0,0,0|1,0,0]=2 1044 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,0,0,0,0,0|1,0,0]=2 1045 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,0,0,0,0,0|1,0,0]=2 1046 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,0,0,0,0,0|1,0,0]=2 1047 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,0,0,0,0,0|1,0,0]=2 1048 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,0,0,0,0,0|1,0,0]=2 1049 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,0,0,0,0,0|1,0,0]=2 1050 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,0,0,0,0,0|1,0,0]=2 1051 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,0,0,0,0,0|1,0,0]=2 1052 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,1,0]=4 1053 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,1,0]=4 1054 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|2,1,0]=4 1055 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|2,1,0]=4 1056 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,1,0]=4 1057 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,1,0]=4 1058 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|1,1,0]=3 1059 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|1,1,0]=3 1060 B7R0.1 [13CH3]SCCOCC#N 62a_200000047693_200025704644 [1,0,0,0,0,0|1,1,1]=4 1061 B7R0.1 [13CH3]SCCOCC#N 62a_200025704644_200000047693 [1,0,0,0,0,0|1,1,1]=4 1062 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|0,1,0]=2 1063 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|0,1,0]=2 1064 B9R0.2 C#CCCOCCC(=C)C 34a_100000764851_100000688953 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.2 C#CCCOCCC(=C)C 34a_100011215631_100000730704 [0,1,0,0,0,0|2,0,1]=4 1066 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,1,0,0,0,0|2,0,1]=4 1067 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.2 C#CCCOCCC(C)Br 34a_100009893172_100000688953 [0,1,0,0,0,0|2,0,1]=4 1069 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [0,1,0,0,0,0|2,0,1]=4 1070 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [0,1,0,0,0,0|2,0,1]=4 1071 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [0,1,0,0,0,0|2,0,1]=4 1072 B9R0.2 C#CCCOCCC(C)O 34a_100011215631_100012276601 [0,1,0,0,0,0|2,0,1]=4 1073 B9R0.2 C#CCCOCC[C@@H](C)N 34a_100000706166_100000688953 [0,1,0,0,0,0|2,0,1]=4 1074 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,1,0,0,0,0|2,0,1]=4 1075 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,1,0,0,0,0|2,0,1]=4 1076 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [0,1,0,0,0,0|2,0,1]=4 1077 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [0,1,0,0,0,0|2,0,1]=4 1078 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [0,1,0,0,0,0|2,0,1]=4 1079 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [0,1,0,0,0,0|2,0,1]=4 1080 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.2 C=C(Br)CCOCCOC 34a_100009813270_100011201679 [0,1,0,0,0,0|1,0,1]=3 1084 B9R0.2 C=C(Br)CCOCCSC 34a_100009813270_100000212216 [0,1,0,0,0,0|1,1,1]=4 1085 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,0,0,0,0|3,0,0]=4 1086 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,0,0,0,0|3,0,0]=4 1087 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,1,0,0,0,0|2,0,0]=3 1088 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,1,0,0,0,0|2,1,0]=4 1089 B9R0.2 C=C(C)CCOC/C=C/C 34a_100000764851_100102629194 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.2 C=C(C)CCOC/C=C/C 34a_100016270725_100000730704 [0,1,0,0,0,0|2,0,1]=4 1091 B9R0.2 C=C(C)CCOCC#CC 34a_100000761923_100000730704 [0,1,0,0,0,0|2,0,1]=4 1092 B9R0.2 C=C(C)CCOCC#CC 34a_100000764851_100000748600 [0,1,0,0,0,0|2,0,1]=4 1093 B9R0.2 C=C(C)CCOCC=CC 34a_100000764851_100000070051 [0,1,0,0,0,0|2,0,1]=4 1094 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,1,0,0,0,0|3,0,0]=4 1095 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,0,0,0,0|2,0,0]=3 1096 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,0,0,0,0|2,0,0]=3 1097 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,0,0,0,0|2,0,0]=3 1098 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,1,0,0,0,0|3,0,0]=4 1099 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,1,0,0,0,0|3,0,0]=4 1100 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,1,0,0,0,0|3,0,0]=4 1101 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,1,0,0,0,0|3,0,0]=4 1102 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,1,0,0,0,0|3,0,0]=4 1103 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,1,0,0,0,0|1,0,0]=2 1104 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,1,0,0,0,0|1,0,0]=2 1105 B9R0.2 C=C(C)CCOCCON 34a_100000700252_100000730704 [0,1,0,0,0,0|2,0,0]=3 1106 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,1,0,0,0,0|1,1,0]=3 1107 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,1,0,0,0,0|1,1,0]=3 1108 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,1,0,0,0,0|1,1,0]=3 1109 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,0,0,0,0|2,1,0]=4 1110 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,0,0,0,0|2,1,0]=4 1111 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,1,0,0,0,0|1,1,0]=3 1112 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,1,0,0,0,0|1,1,0]=3 1113 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,1,0,0,0,0|1,2,0]=4 1114 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,1,0,0,0,0|1,2,0]=4 1115 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,1,0,0,0,0|3,0,0]=4 1116 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,1,0,0,0,0|3,0,0]=4 1117 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,1,0,0,0,0|3,0,0]=4 1118 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,1,0,0,0,0|3,0,0]=4 1119 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,1,0,0,0,0|3,0,0]=4 1120 B9R0.2 C=CCCOCCC(=C)C 34a_100000764851_100000754431 [0,1,0,0,0,0|2,0,1]=4 1121 B9R0.2 C=CCCOCCC(=C)C 34a_100011205117_100000730704 [0,1,0,0,0,0|2,0,1]=4 1122 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,1,0,0,0,0|2,0,1]=4 1123 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,1,0,0,0,0|2,0,1]=4 1124 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [0,1,0,0,0,0|2,0,1]=4 1125 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,1,0,0,0,0|2,0,1]=4 1126 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,1,0,0,0,0|2,0,1]=4 1127 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,1,0,0,0,0|2,0,1]=4 1128 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [0,1,0,0,0,0|2,0,1]=4 1129 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [0,1,0,0,0,0|2,0,1]=4 1130 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [0,1,0,0,0,0|2,0,1]=4 1132 B9R0.2 CC#CCOCCC(C)Br 34a_100009893172_100000748600 [0,1,0,0,0,0|2,0,1]=4 1133 B9R0.2 CC#CCOCCC(C)C 34a_100000210254_100000748600 [0,1,0,0,0,0|2,0,1]=4 1134 B9R0.2 CC#CCOCCC(C)C 34a_100000761923_100000210312 [0,1,0,0,0,0|2,0,1]=4 1135 B9R0.2 CC#CCOCCC(C)C 7a_100000210254_100000748600 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.2 CC#CCOCCC(C)O 34a_100000761923_100012276601 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.2 CC#CCOCC[C@@H](C)N 34a_100000706166_100000748600 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.2 CC(=CCOCCON)C 34a_100000700252_100000761012 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,1,0,0,0,0|3,0,0]=4 1140 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|3,0,0]=4 1141 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|3,0,0]=4 1142 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|3,0,0]=4 1143 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|3,0,0]=4 1144 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,0,0,0,0|3,0,0]=4 1145 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,0,0,0,0|3,0,0]=4 1146 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,1,0,0,0,0|3,0,0]=4 1147 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [0,1,0,0,0,0|3,0,0]=4 1148 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [0,1,0,0,0,0|3,0,0]=4 1149 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,1,0,0,0,0|3,0,0]=4 1150 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,1,0,0,0,0|3,0,0]=4 1151 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,1,0,0,0,0|2,0,0]=3 1152 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,1,0,0,0,0|2,0,0]=3 1153 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,1,0,0,0,0|2,1,0]=4 1154 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,1,0,0,0,0|2,1,0]=4 1155 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [0,1,0,0,0,0|3,0,0]=4 1156 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [0,1,0,0,0,0|3,0,0]=4 1157 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [0,1,0,0,0,0|3,0,0]=4 1158 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [0,1,0,0,0,0|3,0,0]=4 1159 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [0,1,0,0,0,0|3,0,0]=4 1160 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [0,1,0,0,0,0|3,0,0]=4 1161 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,1,0,0,0,0|3,0,0]=4 1162 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,1,0,0,0,0|3,0,0]=4 1163 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,1,0,0,0,0|3,0,0]=4 1164 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [0,1,0,0,0,0|2,0,0]=3 1165 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [0,1,0,0,0,0|3,0,0]=4 1166 B9R0.2 CC(C)OCOCCON 34a_100000700252_100000709892 [0,1,0,0,0,0|3,0,0]=4 1167 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,1,0,0,0,0|3,0,0]=4 1168 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,1,0,0,0,0|3,0,0]=4 1169 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,1,0,0,0,0|3,0,0]=4 1170 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,1,0,0,0,0|3,0,0]=4 1171 B9R0.2 CC(O)CCOCCON 34a_100000700252_100012276601 [0,1,0,0,0,0|2,0,0]=3 1172 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,1,0,0,0,0|2,0,1]=4 1173 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,1,0,0,0,0|2,0,1]=4 1174 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [0,1,0,0,0,0|2,0,1]=4 1175 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [0,1,0,0,0,0|2,0,1]=4 1176 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [0,1,0,0,0,0|2,0,1]=4 1177 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [0,1,0,0,0,0|2,0,1]=4 1178 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|3,0,0]=4 1179 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|3,0,0]=4 1180 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|3,0,0]=4 1181 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1182 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,1,0,0,0,0|3,0,0]=4 1183 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1184 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,1,0,0,0,0|3,0,0]=4 1185 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1186 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1187 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|3,0,0]=4 1188 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [0,1,0,0,0,0|3,0,0]=4 1189 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [0,1,0,0,0,0|3,0,0]=4 1190 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [0,1,0,0,0,0|3,0,0]=4 1191 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,0,0,0,0|3,0,0]=4 1192 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,0,0,0,0|3,0,0]=4 1193 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,0,0,0,0|3,0,0]=4 1194 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [0,1,0,0,0,0|3,0,0]=4 1195 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,1,0,0,0,0|2,0,1]=4 1196 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,1,0,0,0,0|2,0,1]=4 1197 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,1,0,0,0,0|2,0,1]=4 1198 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|2,0,0]=3 1199 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|2,0,0]=3 1200 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|2,0,0]=3 1201 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|2,0,0]=3 1202 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,0,0,0,0|3,0,0]=4 1203 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,0,0,0,0|3,0,0]=4 1204 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,0,0,0,0|3,0,0]=4 1205 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,0,0,0,0|3,0,0]=4 1206 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [0,1,0,0,0,0|2,0,0]=3 1207 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,1,0,0,0,0|2,0,0]=3 1208 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,1,0,0,0,0|2,0,0]=3 1209 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,1,0,0,0,0|2,0,0]=3 1210 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,1,0,0,0,0|2,0,0]=3 1211 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,1,0,0,0,0|2,0,0]=3 1212 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,1,0,0,0,0|2,0,0]=3 1213 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [0,1,0,0,0,0|3,0,0]=4 1214 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [0,1,0,0,0,0|2,0,0]=3 1215 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [0,1,0,0,0,0|2,0,0]=3 1216 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [0,1,0,0,0,0|2,0,0]=3 1217 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [0,1,0,0,0,0|2,0,0]=3 1218 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [0,1,0,0,0,0|3,0,0]=4 1219 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [0,1,0,0,0,0|3,0,0]=4 1220 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,0,0,0,0|3,0,0]=4 1221 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [0,1,0,0,0,0|3,0,0]=4 1222 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [0,1,0,0,0,0|3,0,0]=4 1223 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [0,1,0,0,0,0|3,0,0]=4 1224 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [0,1,0,0,0,0|3,0,0]=4 1225 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|2,1,0]=4 1226 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|2,1,0]=4 1227 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [0,1,0,0,0,0|2,1,0]=4 1228 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [0,1,0,0,0,0|2,1,0]=4 1229 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,1,0,0,0,0|2,1,0]=4 1230 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,1,0,0,0,0|2,1,0]=4 1231 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [0,1,0,0,0,0|2,1,0]=4 1232 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,1,0,0,0,0|3,0,0]=4 1233 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,1,0,0,0,0|3,0,0]=4 1234 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,1,0,0,0,0|3,0,0]=4 1235 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,1,0,0,0,0|3,0,0]=4 1236 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,1,0,0,0,0|3,0,0]=4 1237 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,1,0,0,0,0|3,0,0]=4 1238 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|2,0,0]=3 1239 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,0,0,0,0|3,0,0]=4 1240 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,0,0,0,0|3,0,0]=4 1241 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,0,0,0,0|3,0,0]=4 1242 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|2,0,0]=3 1243 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,0,0,0,0|3,0,0]=4 1244 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,1,0,0,0,0|2,0,0]=3 1246 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,1,0,0,0,0|2,0,0]=3 1247 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [0,1,0,0,0,0|3,0,0]=4 1248 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [0,1,0,0,0,0|3,0,0]=4 1249 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [0,1,0,0,0,0|3,0,0]=4 1250 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,0,0,0,0|3,0,0]=4 1251 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,0,0,0,0|3,0,0]=4 1252 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,0,0,0,0|3,0,0]=4 1253 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [0,1,0,0,0,0|3,0,0]=4 1254 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [0,1,0,0,0,0|3,0,0]=4 1255 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,0,0,0,0|3,0,0]=4 1256 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [0,1,0,0,0,0|3,0,0]=4 1258 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [0,1,0,0,0,0|3,0,0]=4 1259 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [0,1,0,0,0,0|3,0,0]=4 1260 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [0,1,0,0,0,0|3,0,0]=4 1261 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [0,1,0,0,0,0|3,0,0]=4 1262 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,1,0,0,0,0|3,0,0]=4 1263 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,1,0,0,0,0|3,0,0]=4 1264 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,1,0,0,0,0|3,0,0]=4 1265 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,1,0,0,0,0|3,0,0]=4 1266 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,0,0,0,0|3,0,0]=4 1267 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [0,1,0,0,0,0|3,0,0]=4 1268 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [0,1,0,0,0,0|3,0,0]=4 1269 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [0,1,0,0,0,0|3,0,0]=4 1270 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [0,1,0,0,0,0|3,0,0]=4 1271 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,1,0,0,0,0|3,0,0]=4 1272 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [0,1,0,0,0,0|3,0,0]=4 1273 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [0,1,0,0,0,0|3,0,0]=4 1274 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,1,0,0,0,0|3,0,0]=4 1275 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [0,1,0,0,0,0|3,0,0]=4 1276 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [0,1,0,0,0,0|3,0,0]=4 1277 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,1,0,0,0,0|3,0,0]=4 1278 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,1,0,0,0,0|3,0,0]=4 1279 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,1,0,0,0,0|3,0,0]=4 1280 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,1,0,0,0,0|3,0,0]=4 1281 B9R0.2 COCCNCC=C(C)C 2230a_100000209980_100000761012 [0,1,0,0,0,0|2,0,1]=4 1282 B9R0.2 COCCNCC=C(C)C 34a_100000718196_100011201679 [0,1,0,0,0,0|2,0,1]=4 1283 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,1,0,0,0,0|3,0,0]=4 1284 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [0,1,0,0,0,0|2,0,0]=3 1285 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [0,1,0,0,0,0|2,0,0]=3 1286 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,1,0,0,0,0|2,0,0]=3 1287 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,1,0,0,0,0|2,0,0]=3 1288 B9R0.2 COCCNCOC(C)C 2230a_100000209980_100000709892 [0,1,0,0,0,0|3,0,0]=4 1289 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [0,1,0,0,0,0|1,0,1]=3 1290 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [0,1,0,0,0,0|1,0,1]=3 1291 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,0,0,0,0|1,0,0]=2 1292 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,0,0,0,0|1,0,0]=2 1293 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,0,0,0,0|1,0,0]=2 1294 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,0,0,0,0|1,0,0]=2 1295 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,1,0,0,0,0|2,0,0]=3 1296 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,1,0,0,0,0|2,0,0]=3 1297 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,1,0,0,0,0|2,0,0]=3 1298 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,0,0,0,0|1,0,0]=2 1299 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [0,1,0,0,0,0|1,0,0]=2 1300 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [0,1,0,0,0,0|1,0,0]=2 1301 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [0,1,0,0,0,0|1,0,0]=2 1302 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [0,1,0,0,0,0|1,0,0]=2 1303 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,1,0,0,0,0|1,0,0]=2 1304 B9R0.2 COCCOCCC(F)F 34a_100103093639_100011201679 [0,1,0,0,0,0|2,0,0]=3 1305 B9R0.2 COCCOCCN(C)C 2230a_100102631434_100000695917 [0,1,0,0,0,0|1,0,0]=2 1306 B9R0.2 COCCOCCN(C)C 269982a_100102631434_100000695917 [0,1,0,0,0,0|1,0,0]=2 1307 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [0,1,0,0,0,0|1,0,0]=2 1308 B9R0.2 COCCOCNC(C)C 2230a_100138425928_100000231047 [0,1,0,0,0,0|2,0,0]=3 1309 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,1,0,0,0,0|2,0,0]=3 1310 B9R0.2 COCCOCOC(C)C 34a_100000210237_100000709892 [0,1,0,0,0,0|2,0,0]=3 1311 B9R0.2 COCCOCSC(C)C 62a_100000210206_100000231047 [0,1,0,0,0,0|2,0,0]=3 1312 B9R0.2 COCCOCSC(C)C 62a_100000231047_100000210206 [0,1,0,0,0,0|2,0,0]=3 1313 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [0,1,0,0,0,0|1,1,1]=4 1314 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [0,1,0,0,0,0|1,1,1]=4 1315 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,0,0,0,0|1,1,0]=3 1316 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,0,0,0,0|1,1,0]=3 1317 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,1,0,0,0,0|2,1,0]=4 1318 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,1,0,0,0,0|2,1,0]=4 1319 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [0,1,0,0,0,0|1,1,0]=3 1320 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [0,1,0,0,0,0|1,1,0]=3 1321 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,1,0,0,0,0|1,1,0]=3 1322 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,1,0,0,0,0|1,1,0]=3 1323 B9R0.2 COCCSCCN(C)C 62a_100000233755_100000755713 [0,1,0,0,0,0|1,1,0]=3 1324 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,1,0,0,0,0|2,1,0]=4 1325 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,1,0,0,0,0|2,1,0]=4 1326 B9R0.2 COCCSCOC(C)C 62a_100000233755_100000709892 [0,1,0,0,0,0|2,1,0]=4 1327 B9R0.2 COCCSCOC(C)C 62a_100000709892_100000233755 [0,1,0,0,0,0|2,1,0]=4 1328 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [0,1,0,0,0,0|3,0,0]=4 1329 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,1,0,0,0,0|2,1,0]=4 1330 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,0,0,0,0|3,0,0]=4 1331 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,0,0,0,0|3,0,0]=4 1332 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [0,1,0,0,0,0|3,0,0]=4 1333 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [0,1,0,0,0,0|3,0,0]=4 1334 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,1,0,0,0,0|3,0,0]=4 1335 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,1,0,0,0,0|3,0,0]=4 1336 B9R0.2 COCSCCCN(C)C 62a_100000766300_100000757444 [0,1,0,0,0,0|3,0,0]=4 1337 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,1,0,0,0,0|2,1,0]=4 1338 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,1,0,0,0,0|2,1,0]=4 1339 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [0,1,0,0,0,0|2,1,0]=4 1340 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [0,1,0,0,0,0|2,1,0]=4 1341 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,1,0,0,0,0|2,1,0]=4 1342 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,1,0,0,0,0|2,1,0]=4 1343 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [0,1,0,0,0,0|1,1,1]=4 1344 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [0,1,0,0,0,0|1,1,1]=4 1345 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [0,1,0,0,0,0|1,1,1]=4 1346 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,0,0,0,0|1,1,0]=3 1347 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,0,0,0,0|1,1,0]=3 1348 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,0,0,0,0|1,1,0]=3 1349 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,1,0,0,0,0|2,1,0]=4 1350 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,1,0,0,0,0|2,1,0]=4 1351 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,1,0,0,0,0|2,1,0]=4 1352 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,1,0,0,0,0|2,1,0]=4 1353 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [0,1,0,0,0,0|1,1,0]=3 1354 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,1,0,0,0,0|1,1,0]=3 1355 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,1,0,0,0,0|1,1,0]=3 1356 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,1,0,0,0,0|1,1,0]=3 1357 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,1,0,0,0,0|1,1,0]=3 1358 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,1,0,0,0,0|1,1,0]=3 1359 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,1,0,0,0,0|1,1,0]=3 1360 B9R0.2 CSCCOCCC(F)F 34a_100103093639_100000212216 [0,1,0,0,0,0|2,1,0]=4 1361 B9R0.2 CSCCOCCN(C)C 7a_100000230434_100000755713 [0,1,0,0,0,0|1,1,0]=3 1362 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [0,1,0,0,0,0|1,1,0]=3 1363 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,1,0,0,0,0|2,1,0]=4 1364 B9R0.2 CSCCOCOC(C)C 34a_100000230434_100000709892 [0,1,0,0,0,0|2,1,0]=4 1365 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,0,0,0,0|1,2,0]=4 1366 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,0,0,0,0|1,2,0]=4 1367 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [0,1,0,0,0,0|1,2,0]=4 1368 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [0,1,0,0,0,0|1,2,0]=4 1369 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,1,0,0,0,0|1,2,0]=4 1370 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,1,0,0,0,0|1,2,0]=4 1371 B9R0.2 CSCCSCCN(C)C 62a_100000212216_100000755713 [0,1,0,0,0,0|1,2,0]=4 1372 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [0,1,0,0,0,0|3,0,0]=4 1373 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [0,1,0,0,0,0|3,0,0]=4 1374 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [0,1,0,0,0,0|3,0,0]=4 1375 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,0,0,0,0|3,0,0]=4 1376 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,0,0,0,0|3,0,0]=4 1377 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,0,0,0,0|3,0,0]=4 1378 B9R0.5 C#CCC(C)OCCCC 34a_100000685586_100000210210 [0,1,0,0,0,0|2,0,1]=4 1379 B9R0.5 C#CCC(C)OCCCC 7a_100000685586_100000210211 [0,1,0,0,0,0|2,0,1]=4 1380 B9R0.5 C#CCC(C)OCCOC 34a_100000685586_100011201679 [0,1,0,0,0,0|1,0,1]=3 1381 B9R0.5 C#CCC(C)OCCOC 7a_100000685586_100000233755 [0,1,0,0,0,0|1,0,1]=3 1382 B9R0.5 C#CCC(C)OCCSC 34a_100000685586_100000212216 [0,1,0,0,0,0|1,1,1]=4 1383 B9R0.5 C#CCC(C)OCCSC 7a_100000685586_100000212216 [0,1,0,0,0,0|1,1,1]=4 1384 B9R0.5 C#CCCNC(C)COC 34a_100000755551_100000765312 [0,1,0,0,0,0|2,0,1]=4 1385 B9R0.5 C#CCCN[C@H](C)COC 2230a_100000764878_100000688953 [0,1,0,0,0,0|2,0,1]=4 1386 B9R0.5 C#CCCOC(C)CCC 34a_100000764384_100000688953 [0,1,0,0,0,0|2,0,1]=4 1387 B9R0.5 C#CCCOC(C)CCC 34a_100011215631_100000766640 [0,1,0,0,0,0|2,0,1]=4 1388 B9R0.5 C#CCCOC(C)CCC 7a_100000764384_100000688953 [0,1,0,0,0,0|2,0,1]=4 1389 B9R0.5 C#CCCOC(C)COC 34a_100011215631_100000765312 [0,1,0,0,0,0|1,0,1]=3 1390 B9R0.5 C#CCCO[C@H](C)COC 34a_100011934205_100000688953 [0,1,0,0,0,0|1,0,1]=3 1391 B9R0.5 C#CCCSC(C)COC 62a_100000688953_100000765312 [0,1,0,0,0,0|1,1,1]=4 1392 B9R0.5 C#CCCSC(C)COC 62a_100000765312_100000688953 [0,1,0,0,0,0|1,1,1]=4 1393 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.5 C/C=C/C(C)OCCOC 34a_200102604097_100011201679 [0,1,0,0,0,0|1,0,1]=3 1395 B9R0.5 C/C=C/C(C)OCCSC 34a_200102604097_100000212216 [0,1,0,0,0,0|1,1,1]=4 1396 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [0,1,0,0,0,0|2,0,1]=4 1397 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [0,1,0,0,0,0|2,0,1]=4 1398 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [0,1,0,0,0,0|2,0,1]=4 1399 B9R0.5 C/C=C/COC(C)COC 34a_100016270725_100000765312 [0,1,0,0,0,0|1,0,1]=3 1400 B9R0.5 C/C=C/CO[C@H](C)COC 34a_100011934205_100102629194 [0,1,0,0,0,0|1,0,1]=3 1401 B9R0.5 C/C=C/CSC(C)COC 62a_100000765312_100102629194 [0,1,0,0,0,0|1,1,1]=4 1402 B9R0.5 C/C=C/CSC(C)COC 62a_100102629194_100000765312 [0,1,0,0,0,0|1,1,1]=4 1403 B9R0.5 C=CCCNC(C)COC 2230a_100015191253_100000765312 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.5 C=CCCNC(C)COC 270004a_100015191253_100000749346 [0,1,0,0,0,0|2,0,1]=4 1405 B9R0.5 C=CCCN[C@H](C)COC 2230a_100000764878_100000754431 [0,1,0,0,0,0|2,0,1]=4 1406 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,1,0,0,0,0|2,0,1]=4 1407 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,1,0,0,0,0|2,0,1]=4 1408 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,1,0,0,0,0|2,0,1]=4 1409 B9R0.5 C=CCCOC(C)COC 34a_100011205117_100000765312 [0,1,0,0,0,0|1,0,1]=3 1410 B9R0.5 C=CCCO[C@H](C)COC 34a_100011934205_100000754431 [0,1,0,0,0,0|1,0,1]=3 1411 B9R0.5 C=CCCSC(C)COC 62a_100000754431_100000765312 [0,1,0,0,0,0|1,1,1]=4 1412 B9R0.5 C=CCCSC(C)COC 62a_100000765312_100000754431 [0,1,0,0,0,0|1,1,1]=4 1413 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,1,0,0,0,0|2,0,1]=4 1414 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,1,0,0,0,0|2,0,1]=4 1415 B9R0.5 C=CC[C@@H](C)OCCOC 34a_100000731007_100011201679 [0,1,0,0,0,0|1,0,1]=3 1416 B9R0.5 C=CC[C@@H](C)OCCOC 7a_100000731007_100000233755 [0,1,0,0,0,0|1,0,1]=3 1417 B9R0.5 C=CC[C@@H](C)OCCSC 34a_100000731007_100000212216 [0,1,0,0,0,0|1,1,1]=4 1418 B9R0.5 C=CC[C@@H](C)OCCSC 7a_100000731007_100000212216 [0,1,0,0,0,0|1,1,1]=4 1419 B9R0.5 CC#CC(C)OCCCC 34a_100011216543_100000210210 [0,1,0,0,0,0|2,0,1]=4 1420 B9R0.5 CC#CC(C)OCCOC 34a_100011216543_100011201679 [0,1,0,0,0,0|1,0,1]=3 1421 B9R0.5 CC#CC(C)OCCSC 34a_100011216543_100000212216 [0,1,0,0,0,0|1,1,1]=4 1422 B9R0.5 CC#CCNC(C)COC 2230a_100000685387_100000765312 [0,1,0,0,0,0|2,0,1]=4 1423 B9R0.5 CC#CCNC(C)COC 34a_100000685387_100000765312 [0,1,0,0,0,0|2,0,1]=4 1424 B9R0.5 CC#CCN[C@H](C)COC 2230a_100000764878_100000748600 [0,1,0,0,0,0|2,0,1]=4 1425 B9R0.5 CC#CCOC(C)CCC 34a_100000761923_100000766640 [0,1,0,0,0,0|2,0,1]=4 1426 B9R0.5 CC#CCOC(C)CCC 34a_100000764384_100000748600 [0,1,0,0,0,0|2,0,1]=4 1427 B9R0.5 CC#CCOC(C)CCC 7a_100000764384_100000748600 [0,1,0,0,0,0|2,0,1]=4 1428 B9R0.5 CC#CCOC(C)COC 34a_100000761923_100000765312 [0,1,0,0,0,0|1,0,1]=3 1429 B9R0.5 CC#CCO[C@H](C)COC 34a_100011934205_100000748600 [0,1,0,0,0,0|1,0,1]=3 1430 B9R0.5 CC#CCSC(C)COC 62a_100000748600_100000765312 [0,1,0,0,0,0|1,1,1]=4 1431 B9R0.5 CC#CCSC(C)COC 62a_100000765312_100000748600 [0,1,0,0,0,0|1,1,1]=4 1432 B9R0.5 CC(CCO)OCCON 34a_100000700252_100009893172 [0,1,0,0,0,0|3,0,0]=4 1433 B9R0.5 CC=CCN[C@H](C)COC 2230a_100000764878_100000070051 [0,1,0,0,0,0|2,0,1]=4 1434 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [0,1,0,0,0,0|2,0,1]=4 1435 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [0,1,0,0,0,0|2,0,1]=4 1436 B9R0.5 CC=CCO[C@H](C)COC 34a_100011934205_100000070051 [0,1,0,0,0,0|1,0,1]=3 1437 B9R0.5 CC=CCSC(C)COC 62a_100000070051_100000765312 [0,1,0,0,0,0|1,1,1]=4 1438 B9R0.5 CC=CCSC(C)COC 62a_100000765312_100000070051 [0,1,0,0,0,0|1,1,1]=4 1439 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|2,0,1]=4 1440 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|2,0,1]=4 1441 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,1,0,0,0,0|2,0,1]=4 1442 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,1,0,0,0,0|2,0,1]=4 1443 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,1,0,0,0,0|2,0,1]=4 1444 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,1,0,0,0,0|2,0,0]=3 1445 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,1,0,0,0,0|2,0,0]=3 1446 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,1,0,0,0,0|2,0,0]=3 1447 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,1,0,0,0,0|2,0,0]=3 1448 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [0,1,0,0,0,0|3,0,0]=4 1449 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [0,1,0,0,0,0|3,0,0]=4 1450 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [0,1,0,0,0,0|2,0,0]=3 1451 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [0,1,0,0,0,0|2,0,0]=3 1452 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [0,1,0,0,0,0|2,0,0]=3 1453 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [0,1,0,0,0,0|2,1,0]=4 1454 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [0,1,0,0,0,0|2,1,0]=4 1455 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [0,1,0,0,0,0|2,1,0]=4 1456 B9R0.5 CCCC(C)OCCC#N 7a_100000764384_100000184422 [0,1,0,0,0,0|3,0,0]=4 1457 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [0,1,0,0,0,0|3,0,0]=4 1458 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [0,1,0,0,0,0|3,0,0]=4 1459 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [0,1,0,0,0,0|3,0,0]=4 1460 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [0,1,0,0,0,0|3,0,0]=4 1461 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [0,1,0,0,0,0|3,0,0]=4 1462 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [0,1,0,0,0,0|3,0,0]=4 1463 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,1,0,0,0,0|3,0,0]=4 1464 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,1,0,0,0,0|3,0,0]=4 1465 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [0,1,0,0,0,0|1,0,0]=2 1466 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [0,1,0,0,0,0|1,0,0]=2 1467 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [0,1,0,0,0,0|1,0,0]=2 1468 B9R0.5 CCCC(C)OCCON 34a_100000700252_100000766640 [0,1,0,0,0,0|2,0,0]=3 1469 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,1,0,0,0,0|1,1,0]=3 1470 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,1,0,0,0,0|1,1,0]=3 1471 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,1,0,0,0,0|1,1,0]=3 1472 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,1,0,0,0,0|1,1,0]=3 1473 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [0,1,0,0,0,0|1,1,0]=3 1474 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [0,1,0,0,0,0|1,1,0]=3 1475 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [0,1,0,0,0,0|1,2,0]=4 1476 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [0,1,0,0,0,0|1,2,0]=4 1477 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|2,0,1]=4 1478 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|2,0,1]=4 1479 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,1,0,0,0,0|3,0,0]=4 1480 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,1,0,0,0,0|3,0,0]=4 1481 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,0,0,0,0|2,0,1]=4 1482 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,0,0,0,0|2,0,1]=4 1483 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,0,0,0,0|2,0,1]=4 1484 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,0,0,0,0|2,0,1]=4 1485 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,0,0,0,0|2,0,1]=4 1486 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,1,0,0,0,0|3,0,0]=4 1487 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,1,0,0,0,0|3,0,0]=4 1488 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,1,0,0,0,0|3,0,0]=4 1489 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,1,0,0,0,0|3,0,0]=4 1490 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,1,0,0,0,0|2,0,0]=3 1491 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,1,0,0,0,0|2,0,0]=3 1492 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,1,0,0,0,0|2,0,0]=3 1493 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [0,1,0,0,0,0|2,1,0]=4 1494 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,1,0,0,0,0|2,0,0]=3 1495 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,0,0,0,0|2,0,1]=4 1496 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,0,0,0,0|2,0,1]=4 1497 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,0,0,0,0|2,0,1]=4 1498 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,0,0,0,0|1,0,1]=3 1499 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,0,0,0,0|1,1,1]=4 1500 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,0,0,0,0|1,1,1]=4 1501 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,0,0,0,0|1,1,1]=4 1502 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,0,0,0,0|1,1,1]=4 1503 B9R0.5 CCCCOC(C)CC#N 7a_100000210227_100009813641 [0,1,0,0,0,0|3,0,0]=4 1504 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,1,0,0,0,0|3,0,0]=4 1505 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,1,0,0,0,0|2,0,0]=3 1506 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,1,0,0,0,0|2,0,0]=3 1507 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,1,0,0,0,0|2,0,0]=3 1508 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,1,0,0,0,0|2,0,0]=3 1509 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,1,0,0,0,0|3,0,0]=4 1510 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,1,0,0,0,0|3,0,0]=4 1511 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,1,0,0,0,0|1,0,0]=2 1512 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,1,0,0,0,0|1,0,0]=2 1513 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,1,0,0,0,0|1,0,0]=2 1514 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,1,0,0,0,0|2,1,0]=4 1515 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,1,0,0,0,0|2,1,0]=4 1516 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,1,0,0,0,0|1,1,0]=3 1517 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,1,0,0,0,0|1,1,0]=3 1518 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1519 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 1520 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1521 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 1522 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,1,0,0,0,0|3,0,0]=4 1523 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,1,0,0,0,0|3,0,0]=4 1524 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,1,0,0,0,0|3,0,0]=4 1525 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,0,0,0,0|3,0,0]=4 1526 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,1,0,0,0,0|3,0,0]=4 1527 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,1,0,0,0,0|3,0,0]=4 1528 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,0,0,0,0|3,0,0]=4 1529 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,0,0,0,0|3,0,0]=4 1530 B9R0.5 CCOCSC(C)COC 62a_100000739092_100000765312 [0,1,0,0,0,0|2,1,0]=4 1531 B9R0.5 CCOCSC(C)COC 62a_100000765312_100000739092 [0,1,0,0,0,0|2,1,0]=4 1532 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,1,0,0,0,0|2,0,1]=4 1533 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,1,0,0,0,0|2,0,1]=4 1534 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,1,0,0,0,0|2,0,1]=4 1535 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,1,0,0,0,0|2,0,1]=4 1536 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,1,0,0,0,0|1,0,1]=3 1537 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,1,0,0,0,0|1,0,1]=3 1538 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,1,0,0,0,0|1,0,1]=3 1539 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,1,0,0,0,0|1,1,1]=4 1540 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,1,0,0,0,0|1,1,1]=4 1541 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,1,0,0,0,0|1,1,1]=4 1542 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,1,0,0,0,0|1,1,1]=4 1543 B9R0.5 COCC(C)NCCC#N 270004a_100000720768_100000749346 [0,1,0,0,0,0|3,0,0]=4 1544 B9R0.5 COCC(C)NCCCF 2230a_100015189416_100000765312 [0,1,0,0,0,0|3,0,0]=4 1545 B9R0.5 COCC(C)NCCCF 270004a_100015189416_100000749346 [0,1,0,0,0,0|3,0,0]=4 1546 B9R0.5 COCC(C)NCCCF 34a_100015189416_100000765312 [0,1,0,0,0,0|3,0,0]=4 1547 B9R0.5 COCC(C)NCCCO 270004a_100000182051_100000749346 [0,1,0,0,0,0|3,0,0]=4 1548 B9R0.5 COCC(C)NCCSC 2230a_100020590264_100000765312 [0,1,0,0,0,0|1,1,0]=3 1549 B9R0.5 COCC(C)NCCSC 270004a_100020590264_100000749346 [0,1,0,0,0,0|1,1,0]=3 1550 B9R0.5 COCC(C)OCCCBr 34a_100011217188_100000765312 [0,1,0,0,0,0|2,0,0]=3 1551 B9R0.5 COCC(C)OCCCCl 34a_100000230001_100000765312 [0,1,0,0,0,0|2,0,0]=3 1552 B9R0.5 COCC(C)OCCCF 34a_100000759539_100000765312 [0,1,0,0,0,0|2,0,0]=3 1553 B9R0.5 COCC(C)OCCCN 34a_100000182051_100000765312 [0,1,0,0,0,0|2,0,0]=3 1554 B9R0.5 COCC(C)OCCON 34a_100000700252_100000765312 [0,1,0,0,0,0|1,0,0]=2 1555 B9R0.5 COCC(C)OCCSC 34a_100000230434_100000765312 [0,1,0,0,0,0|0,1,0]=2 1556 B9R0.5 COCC(C)OCCSC 7a_100000230434_100000765312 [0,1,0,0,0,0|0,1,0]=2 1557 B9R0.5 COCC(C)SCCC#N 62a_100000765312_100011215226 [0,1,0,0,0,0|2,1,0]=4 1558 B9R0.5 COCC(C)SCCC#N 62a_100011215226_100000765312 [0,1,0,0,0,0|2,1,0]=4 1559 B9R0.5 COCC(C)SCCCF 62a_100000765312_100011934791 [0,1,0,0,0,0|2,1,0]=4 1560 B9R0.5 COCC(C)SCCCF 62a_100011934791_100000765312 [0,1,0,0,0,0|2,1,0]=4 1561 B9R0.5 COCC(C)SCCCO 62a_100000765312_100011215043 [0,1,0,0,0,0|2,1,0]=4 1562 B9R0.5 COCC(C)SCCCO 62a_100011215043_100000765312 [0,1,0,0,0,0|2,1,0]=4 1563 B9R0.5 COCC(C)SCCSC 62a_100000212216_100000765312 [0,1,0,0,0,0|0,2,0]=3 1564 B9R0.5 COCC(C)SCCSC 62a_100000765312_100000751147 [0,1,0,0,0,0|0,2,0]=3 1565 B9R0.5 COCC(N)COCSC 34a_100000724102_100011218213 [0,1,0,0,0,0|2,1,0]=4 1566 B9R0.5 COCC(O)CNCSC 2230a_100000756049_100011218213 [0,1,0,0,0,0|2,1,0]=4 1567 B9R0.5 COCC(O)CNCSC 34a_100000756049_100011218213 [0,1,0,0,0,0|2,1,0]=4 1568 B9R0.5 COCC(O)CSCSC 62a_100011215053_100011218213 [0,1,0,0,0,0|2,1,0]=4 1569 B9R0.5 COCC(O)CSCSC 62a_100011218213_100011215053 [0,1,0,0,0,0|2,1,0]=4 1570 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,1,0,0,0,0|1,0,1]=3 1571 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,1,0,0,0,0|1,1,1]=4 1572 B9R0.5 COCCCN(C)COC 2230a_100000224831_100000766300 [0,1,0,0,0,0|2,0,0]=3 1573 B9R0.5 COCCCN(C)COC 269982a_100000224831_100000766300 [0,1,0,0,0,0|2,0,0]=3 1574 B9R0.5 COCCCN(C)CSC 2230a_100000224831_100011218213 [0,1,0,0,0,0|2,1,0]=4 1575 B9R0.5 COCCCN(C)CSC 269982a_100000224831_100011218213 [0,1,0,0,0,0|2,1,0]=4 1576 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,1,0,0,0,0|2,0,1]=4 1577 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,1,0,0,0,0|1,0,1]=3 1578 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,1,0,0,0,0|1,0,1]=3 1579 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,1,0,0,0,0|1,0,1]=3 1580 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,1,0,0,0,0|1,0,1]=3 1581 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,1,0,0,0,0|1,1,1]=4 1582 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,1,0,0,0,0|1,1,1]=4 1583 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,1,0,0,0,0|1,1,1]=4 1584 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,1,0,0,0,0|1,1,1]=4 1585 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,1,0,0,0,0|1,1,1]=4 1586 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,1,0,0,0,0|1,1,1]=4 1587 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,1,0,0,0,0|1,1,1]=4 1588 B9R0.5 COCCNC(C)CC#N 2230a_100000209980_100009813641 [0,1,0,0,0,0|3,0,0]=4 1589 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [0,1,0,0,0,0|3,0,0]=4 1590 B9R0.5 COCCNC(C)COC 2230a_100000209980_100000765312 [0,1,0,0,0,0|1,0,0]=2 1591 B9R0.5 COCCNC(C)COC 270004a_100000209980_100000749346 [0,1,0,0,0,0|1,0,0]=2 1592 B9R0.5 COCCNC(C)CSC 270004a_100000209980_100011216314 [0,1,0,0,0,0|1,1,0]=3 1593 B9R0.5 COCCN[C@@H](C)CC#N 2230a_100016994482_100011201679 [0,1,0,0,0,0|3,0,0]=4 1594 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [0,1,0,0,0,0|3,0,0]=4 1595 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [0,1,0,0,0,0|3,0,0]=4 1596 B9R0.5 COCCN[C@H](C)COC 2230a_100000764878_100011201679 [0,1,0,0,0,0|1,0,0]=2 1597 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,1,0,0,0,0|0,0,1]=2 1598 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,1,0,0,0,0|0,1,1]=3 1599 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,1,0,0,0,0|0,1,1]=3 1600 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,1,0,0,0,0|0,1,1]=3 1601 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,1,0,0,0,0|0,1,1]=3 1602 B9R0.5 COCCOC(C)CCBr 34a_100012276601_100011201679 [0,1,0,0,0,0|2,0,0]=3 1603 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [0,1,0,0,0,0|2,0,0]=3 1604 B9R0.5 COCCOC(C)COC 34a_100000210237_100000765312 [0,1,0,0,0,0|0,0,0]=1 1605 B9R0.5 COCCO[C@H](C)COC 34a_100011934205_100011201679 [0,1,0,0,0,0|0,0,0]=1 1606 B9R0.5 COCCSC(C)CC#N 62a_100000233755_100009813641 [0,1,0,0,0,0|2,1,0]=4 1607 B9R0.5 COCCSC(C)CC#N 62a_100009813641_100000233755 [0,1,0,0,0,0|2,1,0]=4 1608 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [0,1,0,0,0,0|2,1,0]=4 1609 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [0,1,0,0,0,0|2,1,0]=4 1610 B9R0.5 COCCSC(C)COC 62a_100000233755_100000765312 [0,1,0,0,0,0|0,1,0]=2 1611 B9R0.5 COCCSC(C)COC 62a_100000765312_100000233755 [0,1,0,0,0,0|0,1,0]=2 1612 B9R0.5 COCNCC(O)COC 2230a_100000756049_100000766300 [0,1,0,0,0,0|2,0,0]=3 1613 B9R0.5 COCSCC(O)COC 62a_100000766300_100011215053 [0,1,0,0,0,0|2,0,0]=3 1614 B9R0.5 COCSCC(O)COC 62a_100011215053_100000766300 [0,1,0,0,0,0|2,0,0]=3 1615 B9R0.5 COC[C@@H](C)NCCC#N 2230a_100000764878_100011215226 [0,1,0,0,0,0|3,0,0]=4 1616 B9R0.5 COC[C@@H](C)NCCCF 2230a_100000764878_100011934791 [0,1,0,0,0,0|3,0,0]=4 1617 B9R0.5 COC[C@@H](C)NCCCO 2230a_100000764878_100000230001 [0,1,0,0,0,0|3,0,0]=4 1618 B9R0.5 COC[C@@H](C)NCCSC 2230a_100000764878_100000751147 [0,1,0,0,0,0|1,1,0]=3 1619 B9R0.5 COC[C@@H](C)OCCCF 34a_100011934205_100011934791 [0,1,0,0,0,0|2,0,0]=3 1620 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [0,1,0,0,0,0|2,0,0]=3 1621 B9R0.5 COC[C@@H](C)OCCSC 34a_100011934205_100000212216 [0,1,0,0,0,0|0,1,0]=2 1622 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [0,1,0,0,0,0|3,0,0]=4 1623 B9R0.5 CSCCNC(C)CSC 270004a_100020590264_100011216314 [0,1,0,0,0,0|1,2,0]=4 1624 B9R0.5 CSCCOC(C)CC#N 7a_100000230434_100009813641 [0,1,0,0,0,0|2,1,0]=4 1625 B9R0.5 CSCCOC(C)CCBr 34a_100012276601_100000212216 [0,1,0,0,0,0|2,1,0]=4 1626 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [0,1,0,0,0,0|2,1,0]=4 1627 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [0,1,0,0,0,0|2,1,0]=4 1628 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [0,1,0,0,0,0|3,0,0]=4 1629 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [0,1,0,0,0,0|2,0,1]=4 1630 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [0,1,0,0,0,0|2,0,1]=4 1631 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [0,1,0,0,0,0|2,0,1]=4 1632 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [0,1,0,0,0,0|2,0,1]=4 1633 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [0,1,0,0,0,0|2,0,1]=4 1635 B9R0.18 C#CCCN(C)CCOC 2230a_100000743101_100000688953 [0,1,0,0,0,0|2,0,1]=4 1636 B9R0.18 C#CCCN(C)CCOC 269982a_100000743101_100000730999 [0,1,0,0,0,0|2,0,1]=4 1637 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,1,0,0,0,0|2,0,1]=4 1638 B9R0.18 C/C=C/CN(C)CCOC 269982a_100000743101_100102629194 [0,1,0,0,0,0|2,0,1]=4 1639 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,1,0,0,0,0|2,0,1]=4 1640 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,1,0,0,0,0|2,0,1]=4 1641 B9R0.18 C=CCCN(C)CCOC 2230a_100000743101_100000754431 [0,1,0,0,0,0|2,0,1]=4 1642 B9R0.18 C=CCCN(C)CCOC 2230a_100011698344_200000210301 [0,1,0,0,0,0|2,0,1]=4 1643 B9R0.18 C=CCCN(C)CCOC 2230a_100020639649_100011201679 [0,1,0,0,0,0|2,0,1]=4 1644 B9R0.18 C=CCCN(C)CCOC 269982a_100000743101_100000754431 [0,1,0,0,0,0|2,0,1]=4 1645 B9R0.18 C=CCCN(C)CCOC 269982a_100011698344_200000210301 [0,1,0,0,0,0|2,0,1]=4 1646 B9R0.18 C=CCCN(C)CCOC 269982a_100020639649_100000233755 [0,1,0,0,0,0|2,0,1]=4 1647 B9R0.18 C=CCCN([13CH3])CCOC 2230a_100011698344_200025704644 [0,1,0,0,0,0|2,0,1]=4 1648 B9R0.18 C=CCCN([13CH3])CCOC 269982a_100011698344_200025704644 [0,1,0,0,0,0|2,0,1]=4 1649 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [0,1,0,0,0,0|2,0,1]=4 1650 B9R0.18 CC#CCN(C)CCOC 2230a_100000743101_100000748600 [0,1,0,0,0,0|2,0,1]=4 1651 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,1,0,0,0,0|2,0,1]=4 1652 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,1,0,0,0,0|2,0,1]=4 1653 B9R0.18 CC=CCN(C)CCOC 2230a_100000743101_100000070051 [0,1,0,0,0,0|2,0,1]=4 1654 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,1,0,0,0,0|3,0,0]=4 1655 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,1,0,0,0,0|2,0,0]=3 1656 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,1,0,0,0,0|2,0,0]=3 1657 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,1,0,0,0,0|2,1,0]=4 1658 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,1,0,0,0,0|2,1,0]=4 1659 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [0,1,0,0,0,0|3,0,0]=4 1660 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [0,1,0,0,0,0|3,0,0]=4 1661 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [0,1,0,0,0,0|3,0,0]=4 1662 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [0,1,0,0,0,0|3,0,0]=4 1663 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [0,1,0,0,0,0|3,0,0]=4 1664 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [0,1,0,0,0,0|3,0,0]=4 1665 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [0,1,0,0,0,0|3,0,0]=4 1666 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [0,1,0,0,0,0|2,0,0]=3 1667 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [0,1,0,0,0,0|2,0,0]=3 1668 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [0,1,0,0,0,0|2,0,0]=3 1669 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [0,1,0,0,0,0|2,0,0]=3 1670 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [0,1,0,0,0,0|2,0,0]=3 1671 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [0,1,0,0,0,0|2,0,0]=3 1672 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [0,1,0,0,0,0|2,1,0]=4 1673 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [0,1,0,0,0,0|2,1,0]=4 1674 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [0,1,0,0,0,0|2,1,0]=4 1675 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [0,1,0,0,0,0|2,1,0]=4 1676 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [0,1,0,0,0,0|3,0,0]=4 1677 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [0,1,0,0,0,0|3,0,0]=4 1678 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [0,1,0,0,0,0|2,0,0]=3 1679 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [0,1,0,0,0,0|2,0,0]=3 1680 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,1,0,0,0,0|3,0,0]=4 1681 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,1,0,0,0,0|3,0,0]=4 1682 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,1,0,0,0,0|3,0,0]=4 1683 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,1,0,0,0,0|3,0,0]=4 1684 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [0,1,0,0,0,0|3,0,0]=4 1685 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,1,0,0,0,0|3,0,0]=4 1686 B9R0.18 CCOCN(C)CCOC 269982a_100000743101_100000739092 [0,1,0,0,0,0|3,0,0]=4 1687 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,1,0,0,0,0|3,0,0]=4 1688 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,1,0,0,0,0|1,0,2]=4 1689 B9R0.18 COCCC(=O)CCC#N 1458a_100000749529_100011215226 [0,1,0,0,0,0|3,0,0]=4 1690 B9R0.18 COCCC(=O)CCC#N 1458a_100011934036_100000233755 [0,1,0,0,0,0|3,0,0]=4 1691 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,1,0,0,0,0|3,0,0]=4 1692 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,1,0,0,0,0|3,0,0]=4 1693 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,1,0,0,0,0|1,0,0]=2 1694 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,1,0,0,0,0|1,1,0]=3 1695 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,1,0,0,0,0|1,1,0]=3 1696 B9R0.18 COCCN(C)CCC#N 2230a_100000184479_100011201679 [0,1,0,0,0,0|3,0,0]=4 1697 B9R0.18 COCCN(C)CCC#N 2230a_100000743101_100011215226 [0,1,0,0,0,0|3,0,0]=4 1698 B9R0.18 COCCN(C)CCC#N 269982a_100000743101_100011215226 [0,1,0,0,0,0|3,0,0]=4 1699 B9R0.18 COCCN(C)CCCF 2230a_100000743101_100011934791 [0,1,0,0,0,0|3,0,0]=4 1700 B9R0.18 COCCN(C)CCCF 269982a_100000743101_100011934791 [0,1,0,0,0,0|3,0,0]=4 1701 B9R0.18 COCCN(C)CCCO 2230a_100000213112_100011201679 [0,1,0,0,0,0|3,0,0]=4 1702 B9R0.18 COCCN(C)CCCO 2230a_100000743101_100000230001 [0,1,0,0,0,0|3,0,0]=4 1703 B9R0.18 COCCN(C)CCCO 269982a_100000213112_100000233755 [0,1,0,0,0,0|3,0,0]=4 1704 B9R0.18 COCCN(C)CCCO 269982a_100000743101_100011215043 [0,1,0,0,0,0|3,0,0]=4 1705 B9R0.18 COCCN(C)CCOC 2230a_100000210589_200000210301 [0,1,0,0,0,0|1,0,0]=2 1706 B9R0.18 COCCN(C)CCOC 2230a_100000743101_100011201679 [0,1,0,0,0,0|1,0,0]=2 1707 B9R0.18 COCCN(C)CCOC 269982a_100000210589_200000210301 [0,1,0,0,0,0|1,0,0]=2 1708 B9R0.18 COCCN(C)CCOC 269982a_100000743101_100000233755 [0,1,0,0,0,0|1,0,0]=2 1709 B9R0.18 COCCN(C)CCSC 2230a_100000686725_100011201679 [0,1,0,0,0,0|1,1,0]=3 1710 B9R0.18 COCCN(C)CCSC 2230a_100000743101_100000751147 [0,1,0,0,0,0|1,1,0]=3 1711 B9R0.18 COCCN(C)CCSC 269982a_100000686725_100000233755 [0,1,0,0,0,0|1,1,0]=3 1712 B9R0.18 COCCN(C)CCSC 269982a_100000743101_100000212216 [0,1,0,0,0,0|1,1,0]=3 1713 B9R0.18 COCCN([13CH3])CCOC 2230a_100000210589_200025704644 [0,1,0,0,0,0|1,0,0]=2 1714 B9R0.18 COCCN([13CH3])CCOC 269982a_100000210589_200025704644 [0,1,0,0,0,0|1,0,0]=2 1715 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,1,0,0,0,0|1,2,0]=4 1716 B9R0.18 CSCCN(C)CCSC 2230a_100000686725_100000751147 [0,1,0,0,0,0|1,2,0]=4 1717 B9R0.18 CSCCN(C)CCSC 269982a_100000686725_100000212216 [0,1,0,0,0,0|1,2,0]=4 1718 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [0,1,0,0,0,0|2,0,1]=4 1719 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [0,1,0,0,0,0|2,0,1]=4 1720 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [0,1,0,0,0,0|2,0,1]=4 1721 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [0,1,0,0,0,0|2,0,1]=4 1722 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [0,1,0,0,0,0|2,0,1]=4 1723 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [0,1,0,0,0,0|2,0,1]=4 1724 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [0,1,0,0,0,0|2,0,1]=4 1725 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [0,1,0,0,0,0|2,0,1]=4 1726 B9R0.45 C#CCCCCCOCF 34a_100000766912_100015361967 [0,1,0,0,0,0|2,0,1]=4 1727 B9R0.45 C#CCCCCCOCF 7a_100000766912_100015361967 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.45 C#CCCCCNCOC 2230a_100000706060_100000766300 [0,1,0,0,0,0|2,0,1]=4 1729 B9R0.45 C#CCCCCSCOC 62a_100000766300_100010269958 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.45 C#CCCCCSCOC 62a_100010269958_100000766300 [0,1,0,0,0,0|2,0,1]=4 1731 B9R0.45 C#CCCCNCCOC 2230a_100000209980_100000731252 [0,1,0,0,0,0|2,0,1]=4 1732 B9R0.45 C#CCCCNCCOC 34a_100000718082_100011201679 [0,1,0,0,0,0|2,0,1]=4 1733 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [0,1,0,0,0,0|2,0,1]=4 1734 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [0,1,0,0,0,0|2,0,1]=4 1735 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [0,1,0,0,0,0|2,0,1]=4 1736 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [0,1,0,0,0,0|2,0,1]=4 1737 B9R0.45 C#CCCCOCCOC 34a_100000210237_100000695029 [0,1,0,0,0,0|1,0,1]=3 1738 B9R0.45 C#CCCCOCCOC 34a_100000215630_100011201679 [0,1,0,0,0,0|1,0,1]=3 1739 B9R0.45 C#CCCCOCCOC 7a_100000215630_100000233755 [0,1,0,0,0,0|1,0,1]=3 1740 B9R0.45 C#CCCCOCCON 34a_100000700252_100000695029 [0,1,0,0,0,0|2,0,1]=4 1741 B9R0.45 C#CCCCOCCSC 34a_100000215630_100000212216 [0,1,0,0,0,0|1,1,1]=4 1742 B9R0.45 C#CCCCOCCSC 34a_100000230434_100000695029 [0,1,0,0,0,0|1,1,1]=4 1743 B9R0.45 C#CCCCOCCSC 7a_100000215630_100000212216 [0,1,0,0,0,0|1,1,1]=4 1744 B9R0.45 C#CCCCOCCSC 7a_100000230434_100011215417 [0,1,0,0,0,0|1,1,1]=4 1745 B9R0.45 C#CCCCSCCOC 62a_100000233755_100011215417 [0,1,0,0,0,0|1,1,1]=4 1746 B9R0.45 C#CCCCSCCOC 62a_100011215417_100000233755 [0,1,0,0,0,0|1,1,1]=4 1747 B9R0.45 C#CCCNCCCOC 34a_100000755551_100000740836 [0,1,0,0,0,0|2,0,1]=4 1748 B9R0.45 C#CCCNCCCOC 34a_100150723488_100000688953 [0,1,0,0,0,0|2,0,1]=4 1749 B9R0.45 C#CCCNCCOCC 2230a_102516460346_100000688953 [0,1,0,0,0,0|2,0,1]=4 1750 B9R0.45 C#CCCNCCOCC 34a_100000755551_100000210147 [0,1,0,0,0,0|2,0,1]=4 1751 B9R0.45 C#CCCNCCOCC 34a_102516460346_100000688953 [0,1,0,0,0,0|2,0,1]=4 1752 B9R0.45 C#CCCOCC/C=C/C 34a_100016278192_100000688953 [0,1,0,0,0,0|2,0,1]=4 1753 B9R0.45 C#CCCOCCC#CC 34a_100000750427_100000688953 [0,1,0,0,0,0|2,0,1]=4 1754 B9R0.45 C#CCCOCCCCBr 34a_100011216708_100000688953 [0,1,0,0,0,0|2,0,1]=4 1755 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.45 C#CCCOCCCCCl 34a_100000210776_100000688953 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.45 C#CCCOCCCCCl 7a_100000210776_100000688953 [0,1,0,0,0,0|2,0,1]=4 1760 B9R0.45 C#CCCOCCCCF 34a_100011215631_100000729493 [0,1,0,0,0,0|2,0,1]=4 1761 B9R0.45 C#CCCOCCCCF 34a_100011995726_100000688953 [0,1,0,0,0,0|2,0,1]=4 1762 B9R0.45 C#CCCOCCCCF 7a_100011995726_100000688953 [0,1,0,0,0,0|2,0,1]=4 1763 B9R0.45 C#CCCOCCCCI 34a_200012148704_100000688953 [0,1,0,0,0,0|2,0,1]=4 1764 B9R0.45 C#CCCOCCCCN 34a_100000750430_100000688953 [0,1,0,0,0,0|2,0,1]=4 1765 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [0,1,0,0,0,0|2,0,1]=4 1766 B9R0.45 C#CCCOCCCNC 34a_100000213112_100000688953 [0,1,0,0,0,0|2,0,1]=4 1767 B9R0.45 C#CCCOCCCOC 34a_100000740835_100000688953 [0,1,0,0,0,0|1,0,1]=3 1768 B9R0.45 C#CCCOCCCOC 34a_100011215631_100000740836 [0,1,0,0,0,0|1,0,1]=3 1769 B9R0.45 C#CCCOCCCSC 34a_100000690336_100000688953 [0,1,0,0,0,0|1,1,1]=4 1770 B9R0.45 C#CCCOCCCSC 7a_100000690336_100000688953 [0,1,0,0,0,0|1,1,1]=4 1771 B9R0.45 C#CCCOCCOC=C 34a_100000033082_100000688953 [0,1,0,0,0,0|1,0,2]=4 1772 B9R0.45 C#CCCOCCOC=C 34a_100011215631_100000039644 [0,1,0,0,0,0|1,0,2]=4 1773 B9R0.45 C#CCCOCCOCC 34a_100000210136_100000688953 [0,1,0,0,0,0|1,0,1]=3 1774 B9R0.45 C#CCCOCCOCC 34a_100011215631_100000210147 [0,1,0,0,0,0|1,0,1]=3 1775 B9R0.45 C#CCCOCCOCC 7a_100000210136_100000688953 [0,1,0,0,0,0|1,0,1]=3 1776 B9R0.45 C#CCCOCCSCC 34a_100000212035_100000688953 [0,1,0,0,0,0|1,1,1]=4 1777 B9R0.45 C#CCCOCCSCC 34a_100011215631_100000757381 [0,1,0,0,0,0|1,1,1]=4 1778 B9R0.45 C#CCCOCCSCC 7a_100000212035_100000688953 [0,1,0,0,0,0|1,1,1]=4 1779 B9R0.45 C#CCCSCCCOC 62a_100000688953_100000709357 [0,1,0,0,0,0|1,1,1]=4 1780 B9R0.45 C#CCCSCCCOC 62a_100000709357_100000688953 [0,1,0,0,0,0|1,1,1]=4 1781 B9R0.45 C#CCCSCCOCC 62a_100000210147_100000688953 [0,1,0,0,0,0|1,1,1]=4 1782 B9R0.45 C#CCCSCCOCC 62a_100000688953_100011215890 [0,1,0,0,0,0|1,1,1]=4 1783 B9R0.45 C#CCNCCCCOC 34a_100000212058_100000755781 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.45 C#CCNCOCCCC 34a_100000212058_100011995733 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.45 C#CCOCCCCOC 34a_100000210247_100000755781 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.45 C#CCOCCCCOC 34a_100000740925_100000184674 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.45 C#CCOCOCCCC 34a_100000210247_100011995733 [0,1,0,0,0,0|2,0,1]=4 1788 B9R0.45 C#CCSCCCCOC 62a_100000038162_100000730899 [0,1,0,0,0,0|2,0,1]=4 1789 B9R0.45 C#CCSCOCCCC 62a_100000038162_100011995733 [0,1,0,0,0,0|2,0,1]=4 1790 B9R0.45 C#CCSCOCCOC 62a_100000038162_100000231047 [0,1,0,0,0,0|1,0,1]=3 1791 B9R0.45 C/C=C/CCOC/C=C/C 34a_100016278192_100102629194 [0,1,0,0,0,0|2,0,1]=4 1792 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,1,0,0,0,0|2,0,0]=3 1793 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [0,1,0,0,0,0|3,0,0]=4 1794 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,1,0,0,0,0|3,0,0]=4 1795 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [0,1,0,0,0,0|1,0,0]=2 1796 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [0,1,0,0,0,0|1,1,0]=3 1797 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [0,1,0,0,0,0|2,0,1]=4 1798 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [0,1,0,0,0,0|2,0,1]=4 1799 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [0,1,0,0,0,0|2,0,1]=4 1800 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,1,0,0,0,0|2,0,1]=4 1801 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,1,0,0,0,0|2,0,1]=4 1802 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,1,0,0,0,0|2,0,1]=4 1803 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [0,1,0,0,0,0|2,0,1]=4 1804 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [0,1,0,0,0,0|2,0,1]=4 1805 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [0,1,0,0,0,0|2,0,1]=4 1806 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [0,1,0,0,0,0|2,0,1]=4 1807 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [0,1,0,0,0,0|2,0,1]=4 1808 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [0,1,0,0,0,0|2,0,1]=4 1810 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [0,1,0,0,0,0|2,0,1]=4 1812 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [0,1,0,0,0,0|1,0,1]=3 1813 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [0,1,0,0,0,0|1,0,1]=3 1814 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [0,1,0,0,0,0|1,1,1]=4 1815 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [0,1,0,0,0,0|1,1,1]=4 1816 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [0,1,0,0,0,0|1,0,1]=3 1817 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [0,1,0,0,0,0|1,0,1]=3 1818 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [0,1,0,0,0,0|1,0,1]=3 1819 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [0,1,0,0,0,0|1,1,1]=4 1820 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [0,1,0,0,0,0|1,1,1]=4 1821 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [0,1,0,0,0,0|1,1,1]=4 1822 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [0,1,0,0,0,0|1,1,1]=4 1823 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [0,1,0,0,0,0|1,1,1]=4 1824 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [0,1,0,0,0,0|1,1,1]=4 1825 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [0,1,0,0,0,0|1,1,1]=4 1826 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,1,0,0,0,0|2,0,1]=4 1829 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,1,0,0,0,0|2,0,1]=4 1830 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,1,0,0,0,0|2,0,1]=4 1831 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,1,0,0,0,0|2,0,1]=4 1832 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,1,0,0,0,0|2,0,1]=4 1833 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,1,0,0,0,0|2,0,1]=4 1834 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [0,1,0,0,0,0|2,0,1]=4 1835 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [0,1,0,0,0,0|2,0,1]=4 1836 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [0,1,0,0,0,0|2,0,1]=4 1837 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [0,1,0,0,0,0|2,0,1]=4 1838 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [0,1,0,0,0,0|2,0,1]=4 1839 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [0,1,0,0,0,0|2,0,1]=4 1840 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [0,1,0,0,0,0|2,0,1]=4 1841 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [0,1,0,0,0,0|2,0,1]=4 1842 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,1,0,0,0,0|2,0,1]=4 1843 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,1,0,0,0,0|2,0,1]=4 1844 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,1,0,0,0,0|2,0,1]=4 1845 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,1,0,0,0,0|2,0,1]=4 1846 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [0,1,0,0,0,0|1,0,1]=3 1847 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [0,1,0,0,0,0|1,0,1]=3 1848 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [0,1,0,0,0,0|1,0,1]=3 1849 B9R0.45 C=CCCCOCCON 34a_100000700252_100000757094 [0,1,0,0,0,0|2,0,1]=4 1850 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [0,1,0,0,0,0|1,1,1]=4 1851 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [0,1,0,0,0,0|1,1,1]=4 1852 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [0,1,0,0,0,0|1,1,1]=4 1853 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [0,1,0,0,0,0|1,1,1]=4 1854 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,1,0,0,0,0|1,1,1]=4 1855 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,1,0,0,0,0|1,1,1]=4 1856 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [0,1,0,0,0,0|2,0,1]=4 1857 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [0,1,0,0,0,0|2,0,1]=4 1858 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [0,1,0,0,0,0|2,0,1]=4 1859 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [0,1,0,0,0,0|2,0,1]=4 1860 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [0,1,0,0,0,0|2,0,1]=4 1861 B9R0.45 C=CCCOCC/C=C/C 34a_100016278192_100000754431 [0,1,0,0,0,0|2,0,1]=4 1862 B9R0.45 C=CCCOCCC#CC 34a_100000750427_100000754431 [0,1,0,0,0,0|2,0,1]=4 1863 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [0,1,0,0,0,0|2,0,1]=4 1864 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,1,0,0,0,0|2,0,1]=4 1865 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,1,0,0,0,0|2,0,1]=4 1866 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,1,0,0,0,0|2,0,1]=4 1867 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [0,1,0,0,0,0|2,0,1]=4 1868 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [0,1,0,0,0,0|2,0,1]=4 1869 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [0,1,0,0,0,0|2,0,1]=4 1870 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [0,1,0,0,0,0|2,0,1]=4 1871 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [0,1,0,0,0,0|2,0,1]=4 1872 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [0,1,0,0,0,0|2,0,1]=4 1873 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [0,1,0,0,0,0|2,0,1]=4 1874 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [0,1,0,0,0,0|2,0,1]=4 1875 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [0,1,0,0,0,0|2,0,1]=4 1876 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [0,1,0,0,0,0|1,0,1]=3 1877 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [0,1,0,0,0,0|1,0,1]=3 1878 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [0,1,0,0,0,0|1,1,1]=4 1879 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [0,1,0,0,0,0|1,1,1]=4 1880 B9R0.45 C=CCCOCCOC=C 34a_100000033082_100000754431 [0,1,0,0,0,0|1,0,2]=4 1881 B9R0.45 C=CCCOCCOC=C 34a_100011205117_100000039644 [0,1,0,0,0,0|1,0,2]=4 1882 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,1,0,0,0,0|1,0,1]=3 1883 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,1,0,0,0,0|1,0,1]=3 1884 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,1,0,0,0,0|1,0,1]=3 1885 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [0,1,0,0,0,0|1,1,1]=4 1886 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [0,1,0,0,0,0|1,1,1]=4 1887 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [0,1,0,0,0,0|1,1,1]=4 1888 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,1,0,0,0,0|1,1,1]=4 1889 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,1,0,0,0,0|1,1,1]=4 1890 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,1,0,0,0,0|1,1,1]=4 1891 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,1,0,0,0,0|1,1,1]=4 1892 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [0,1,0,0,0,0|2,0,1]=4 1893 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [0,1,0,0,0,0|2,0,1]=4 1894 B9R0.45 C=CCNCOCCOC 2230a_100020586998_100000231047 [0,1,0,0,0,0|1,0,1]=3 1895 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,1,0,0,0,0|2,0,1]=4 1896 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,1,0,0,0,0|2,0,1]=4 1897 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,1,0,0,0,0|2,0,1]=4 1898 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [0,1,0,0,0,0|2,0,1]=4 1899 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [0,1,0,0,0,0|2,0,1]=4 1900 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [0,1,0,0,0,0|2,0,1]=4 1901 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [0,1,0,0,0,0|2,0,1]=4 1902 B9R0.45 C=CCSCOCCOC 62a_100000210623_100000231047 [0,1,0,0,0,0|1,0,1]=3 1903 B9R0.45 C=CCSCOCCOC 62a_100000231047_100000210623 [0,1,0,0,0,0|1,0,1]=3 1904 B9R0.45 C=COCCCNCOC 2230a_100000210767_100000766300 [0,1,0,0,0,0|2,0,1]=4 1905 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,1,0,0,0,0|2,0,1]=4 1906 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,1,0,0,0,0|2,0,1]=4 1907 B9R0.45 C=COCCNCCOC 2230a_100000209980_100000039644 [0,1,0,0,0,0|1,0,1]=3 1908 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [0,1,0,0,0,0|1,1,1]=4 1909 B9R0.45 C=COCCOC/C=C/C 34a_100000033082_100102629194 [0,1,0,0,0,0|1,0,2]=4 1910 B9R0.45 C=COCCOC/C=C/C 34a_100016270725_100000039644 [0,1,0,0,0,0|1,0,2]=4 1911 B9R0.45 C=COCCOCC#CC 34a_100000033082_100000748600 [0,1,0,0,0,0|1,0,2]=4 1912 B9R0.45 C=COCCOCC#CC 34a_100000761923_100000039644 [0,1,0,0,0,0|1,0,2]=4 1913 B9R0.45 C=COCCOCC=CC 34a_100000033082_100000070051 [0,1,0,0,0,0|1,0,2]=4 1914 B9R0.45 C=COCCOCCCBr 34a_100011217188_100000039644 [0,1,0,0,0,0|2,0,1]=4 1915 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,1,0,0,0,0|1,0,1]=3 1916 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,1,0,0,0,0|1,0,1]=3 1917 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,1,0,0,0,0|1,0,1]=3 1918 B9R0.45 C=COCCOCCCCl 34a_100000230001_100000039644 [0,1,0,0,0,0|2,0,1]=4 1919 B9R0.45 C=COCCOCCCF 34a_100000033082_100011934791 [0,1,0,0,0,0|2,0,1]=4 1920 B9R0.45 C=COCCOCCCF 34a_100000759539_100000039644 [0,1,0,0,0,0|2,0,1]=4 1921 B9R0.45 C=COCCOCCCN 34a_100000182051_100000039644 [0,1,0,0,0,0|2,0,1]=4 1922 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,1,0,0,0,0|2,0,1]=4 1923 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [0,1,0,0,0,0|0,0,1]=2 1924 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [0,1,0,0,0,0|0,0,1]=2 1925 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [0,1,0,0,0,0|0,0,1]=2 1926 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [0,1,0,0,0,0|0,0,1]=2 1927 B9R0.45 C=COCCOCCON 34a_100000700252_100000039644 [0,1,0,0,0,0|1,0,1]=3 1928 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [0,1,0,0,0,0|0,0,1]=2 1929 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [0,1,0,0,0,0|0,0,1]=2 1930 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [0,1,0,0,0,0|0,1,1]=3 1931 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [0,1,0,0,0,0|0,1,1]=3 1932 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [0,1,0,0,0,0|0,1,1]=3 1933 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,1,0,0,0,0|1,1,1]=4 1934 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,1,0,0,0,0|1,1,1]=4 1935 B9R0.45 C=COCCSCCOC 62a_100000039644_100000233755 [0,1,0,0,0,0|0,1,1]=3 1936 B9R0.45 C=COCCSCCOC 62a_100000233755_100000039644 [0,1,0,0,0,0|0,1,1]=3 1937 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [0,1,0,0,0,0|0,2,1]=4 1938 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [0,1,0,0,0,0|0,2,1]=4 1939 B9R0.45 CC#CCCOC/C=C/C 34a_100000750427_100102629194 [0,1,0,0,0,0|2,0,1]=4 1940 B9R0.45 CC#CCCOCC#CC 34a_100000750427_100000748600 [0,1,0,0,0,0|2,0,1]=4 1941 B9R0.45 CC#CCCOCC=CC 34a_100000750427_100000070051 [0,1,0,0,0,0|2,0,1]=4 1942 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [0,1,0,0,0,0|2,0,0]=3 1943 B9R0.45 CC#CCCOCCCF 34a_100000750427_100011934791 [0,1,0,0,0,0|3,0,0]=4 1944 B9R0.45 CC#CCCOCCCO 34a_100000750427_100000230001 [0,1,0,0,0,0|3,0,0]=4 1945 B9R0.45 CC#CCCOCCOC 34a_100000750427_100011201679 [0,1,0,0,0,0|1,0,0]=2 1946 B9R0.45 CC#CCCOCCSC 34a_100000750427_100000212216 [0,1,0,0,0,0|1,1,0]=3 1947 B9R0.45 CC#CCNCCCOC 2230a_100000685387_100000740836 [0,1,0,0,0,0|2,0,1]=4 1948 B9R0.45 CC#CCNCCCOC 34a_100000685387_100000740836 [0,1,0,0,0,0|2,0,1]=4 1949 B9R0.45 CC#CCNCCCOC 34a_100150723488_100000748600 [0,1,0,0,0,0|2,0,1]=4 1950 B9R0.45 CC#CCNCCOCC 2230a_100000685387_100011215890 [0,1,0,0,0,0|2,0,1]=4 1951 B9R0.45 CC#CCNCCOCC 2230a_102516460346_100000748600 [0,1,0,0,0,0|2,0,1]=4 1952 B9R0.45 CC#CCNCCOCC 34a_100000685387_100000210147 [0,1,0,0,0,0|2,0,1]=4 1953 B9R0.45 CC#CCNCCOCC 34a_102516460346_100000748600 [0,1,0,0,0,0|2,0,1]=4 1954 B9R0.45 CC#CCOCC/C=C/C 34a_100016278192_100000748600 [0,1,0,0,0,0|2,0,1]=4 1955 B9R0.45 CC#CCOCCCCBr 34a_100011216708_100000748600 [0,1,0,0,0,0|2,0,1]=4 1956 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [0,1,0,0,0,0|2,0,1]=4 1957 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [0,1,0,0,0,0|2,0,1]=4 1958 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [0,1,0,0,0,0|2,0,1]=4 1959 B9R0.45 CC#CCOCCCCCl 34a_100000210776_100000748600 [0,1,0,0,0,0|2,0,1]=4 1960 B9R0.45 CC#CCOCCCCCl 7a_100000210776_100000748600 [0,1,0,0,0,0|2,0,1]=4 1961 B9R0.45 CC#CCOCCCCF 34a_100000761923_100000729493 [0,1,0,0,0,0|2,0,1]=4 1962 B9R0.45 CC#CCOCCCCF 34a_100011995726_100000748600 [0,1,0,0,0,0|2,0,1]=4 1963 B9R0.45 CC#CCOCCCCF 7a_100011995726_100000748600 [0,1,0,0,0,0|2,0,1]=4 1964 B9R0.45 CC#CCOCCCCI 34a_200012148704_100000748600 [0,1,0,0,0,0|2,0,1]=4 1965 B9R0.45 CC#CCOCCCCN 34a_100000750430_100000748600 [0,1,0,0,0,0|2,0,1]=4 1966 B9R0.45 CC#CCOCCCCO 34a_100000761923_100011216708 [0,1,0,0,0,0|2,0,1]=4 1967 B9R0.45 CC#CCOCCCNC 34a_100000213112_100000748600 [0,1,0,0,0,0|2,0,1]=4 1968 B9R0.45 CC#CCOCCCOC 34a_100000740835_100000748600 [0,1,0,0,0,0|1,0,1]=3 1969 B9R0.45 CC#CCOCCCOC 34a_100000761923_100000740836 [0,1,0,0,0,0|1,0,1]=3 1970 B9R0.45 CC#CCOCCCSC 34a_100000690336_100000748600 [0,1,0,0,0,0|1,1,1]=4 1971 B9R0.45 CC#CCOCCCSC 7a_100000690336_100000748600 [0,1,0,0,0,0|1,1,1]=4 1972 B9R0.45 CC#CCOCCOCC 34a_100000210136_100000748600 [0,1,0,0,0,0|1,0,1]=3 1973 B9R0.45 CC#CCOCCOCC 34a_100000761923_100000210147 [0,1,0,0,0,0|1,0,1]=3 1974 B9R0.45 CC#CCOCCOCC 7a_100000210136_100000748600 [0,1,0,0,0,0|1,0,1]=3 1975 B9R0.45 CC#CCOCCSCC 34a_100000212035_100000748600 [0,1,0,0,0,0|1,1,1]=4 1976 B9R0.45 CC#CCOCCSCC 34a_100000761923_100000757381 [0,1,0,0,0,0|1,1,1]=4 1977 B9R0.45 CC#CCOCCSCC 7a_100000212035_100000748600 [0,1,0,0,0,0|1,1,1]=4 1978 B9R0.45 CC#CCSCCCOC 62a_100000709357_100000748600 [0,1,0,0,0,0|1,1,1]=4 1979 B9R0.45 CC#CCSCCCOC 62a_100000748600_100000709357 [0,1,0,0,0,0|1,1,1]=4 1980 B9R0.45 CC#CCSCCOCC 62a_100000210147_100000748600 [0,1,0,0,0,0|1,1,1]=4 1981 B9R0.45 CC#CCSCCOCC 62a_100000748600_100011215890 [0,1,0,0,0,0|1,1,1]=4 1982 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,1,0,0,0,0|2,0,1]=4 1983 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,1,0,0,0,0|2,0,1]=4 1984 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,1,0,0,0,0|2,0,1]=4 1985 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,1,0,0,0,0|2,0,1]=4 1986 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [0,1,0,0,0,0|2,0,1]=4 1987 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,1,0,0,0,0|2,0,1]=4 1988 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,1,0,0,0,0|2,0,1]=4 1989 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,1,0,0,0,0|2,0,1]=4 1990 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [0,1,0,0,0,0|1,0,1]=3 1991 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [0,1,0,0,0,0|1,0,1]=3 1992 B9R0.45 CC/C=C\COCCON 34a_100000700252_100103147603 [0,1,0,0,0,0|2,0,1]=4 1993 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [0,1,0,0,0,0|1,1,1]=4 1994 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [0,1,0,0,0,0|1,1,1]=4 1995 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [0,1,0,0,0,0|1,1,1]=4 1996 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [0,1,0,0,0,0|1,1,1]=4 1997 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [0,1,0,0,0,0|1,1,1]=4 1998 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [0,1,0,0,0,0|2,0,1]=4 1999 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [0,1,0,0,0,0|2,0,1]=4 2000 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [0,1,0,0,0,0|2,0,1]=4 2001 B9R0.45 CC=CCOCC/C=C/C 34a_100016278192_100000070051 [0,1,0,0,0,0|2,0,1]=4 2002 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [0,1,0,0,0,0|2,0,1]=4 2003 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,1,0,0,0,0|2,0,1]=4 2004 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,1,0,0,0,0|2,0,1]=4 2005 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [0,1,0,0,0,0|2,0,1]=4 2006 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [0,1,0,0,0,0|2,0,1]=4 2007 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [0,1,0,0,0,0|2,0,1]=4 2008 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [0,1,0,0,0,0|2,0,1]=4 2009 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [0,1,0,0,0,0|2,0,1]=4 2010 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [0,1,0,0,0,0|2,0,1]=4 2011 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [0,1,0,0,0,0|2,0,1]=4 2012 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [0,1,0,0,0,0|1,0,1]=3 2013 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [0,1,0,0,0,0|1,1,1]=4 2014 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [0,1,0,0,0,0|1,1,1]=4 2015 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [0,1,0,0,0,0|1,0,1]=3 2016 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [0,1,0,0,0,0|1,0,1]=3 2017 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [0,1,0,0,0,0|1,1,1]=4 2018 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [0,1,0,0,0,0|1,1,1]=4 2019 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [0,1,0,0,0,0|1,1,1]=4 2020 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [0,1,0,0,0,0|1,1,1]=4 2021 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [0,1,0,0,0,0|1,1,1]=4 2022 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [0,1,0,0,0,0|1,1,1]=4 2023 B9R0.45 CCC#CCNCCOC 2230a_100000209980_100009813939 [0,1,0,0,0,0|2,0,1]=4 2024 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [0,1,0,0,0,0|2,0,1]=4 2025 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [0,1,0,0,0,0|2,0,1]=4 2026 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [0,1,0,0,0,0|2,0,1]=4 2027 B9R0.45 CCC#CCOCCOC 34a_100000032950_100011201679 [0,1,0,0,0,0|1,0,1]=3 2028 B9R0.45 CCC#CCOCCOC 34a_100000210237_100009813939 [0,1,0,0,0,0|1,0,1]=3 2029 B9R0.45 CCC#CCOCCON 34a_100000700252_100009813939 [0,1,0,0,0,0|2,0,1]=4 2030 B9R0.45 CCC#CCOCCSC 34a_100000032950_100000212216 [0,1,0,0,0,0|1,1,1]=4 2031 B9R0.45 CCC#CCOCCSC 34a_100000230434_100009813939 [0,1,0,0,0,0|1,1,1]=4 2032 B9R0.45 CCC#CCOCCSC 7a_100000230434_100009813939 [0,1,0,0,0,0|1,1,1]=4 2033 B9R0.45 CCC#CCSCCOC 62a_100000233755_100009813939 [0,1,0,0,0,0|1,1,1]=4 2034 B9R0.45 CCC#CCSCCOC 62a_100009813939_100000233755 [0,1,0,0,0,0|1,1,1]=4 2035 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [0,1,0,0,0,0|2,0,1]=4 2036 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [0,1,0,0,0,0|2,0,1]=4 2037 B9R0.45 CCCC#CCCOCF 34a_100000042726_100015361967 [0,1,0,0,0,0|2,0,1]=4 2038 B9R0.45 CCCC#CCCOCF 7a_100000042726_100015361967 [0,1,0,0,0,0|2,0,1]=4 2039 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [0,1,0,0,0,0|2,0,1]=4 2040 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [0,1,0,0,0,0|2,0,1]=4 2041 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [0,1,0,0,0,0|2,0,1]=4 2042 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [0,1,0,0,0,0|2,0,1]=4 2043 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,1,0,0,0,0|2,0,0]=3 2044 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,1,0,0,0,0|2,0,0]=3 2045 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,1,0,0,0,0|2,0,0]=3 2046 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,1,0,0,0,0|2,0,0]=3 2047 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [0,1,0,0,0,0|2,0,0]=3 2048 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [0,1,0,0,0,0|2,0,0]=3 2049 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [0,1,0,0,0,0|2,0,0]=3 2050 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [0,1,0,0,0,0|2,0,0]=3 2051 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [0,1,0,0,0,0|2,0,1]=4 2052 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [0,1,0,0,0,0|2,0,1]=4 2053 B9R0.45 CCCCC#CCOCF 34a_200000034558_100015361967 [0,1,0,0,0,0|2,0,1]=4 2054 B9R0.45 CCCCC#CCOCF 7a_200000034558_100015361967 [0,1,0,0,0,0|2,0,1]=4 2055 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,1,0,0,0,0|2,0,1]=4 2056 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,1,0,0,0,0|2,0,1]=4 2057 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,1,0,0,0,0|2,0,1]=4 2058 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,1,0,0,0,0|2,0,1]=4 2059 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [0,1,0,0,0,0|2,0,1]=4 2060 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [0,1,0,0,0,0|2,0,1]=4 2061 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [0,1,0,0,0,0|2,0,1]=4 2062 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [0,1,0,0,0,0|2,0,1]=4 2063 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [0,1,0,0,0,0|2,0,1]=4 2064 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,1,0,0,0,0|3,0,0]=4 2065 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,1,0,0,0,0|3,0,0]=4 2066 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,1,0,0,0,0|3,0,0]=4 2067 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,1,0,0,0,0|3,0,0]=4 2068 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,1,0,0,0,0|3,0,0]=4 2069 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,1,0,0,0,0|3,0,0]=4 2070 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,1,0,0,0,0|3,0,0]=4 2071 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,1,0,0,0,0|2,0,0]=3 2072 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,1,0,0,0,0|2,0,0]=3 2073 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,1,0,0,0,0|2,0,0]=3 2074 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,1,0,0,0,0|2,0,0]=3 2075 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,1,0,0,0,0|2,0,0]=3 2076 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,1,0,0,0,0|2,1,0]=4 2077 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,1,0,0,0,0|2,1,0]=4 2078 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,1,0,0,0,0|2,1,0]=4 2079 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,1,0,0,0,0|2,1,0]=4 2080 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,1,0,0,0,0|3,0,0]=4 2081 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,1,0,0,0,0|3,0,0]=4 2082 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,1,0,0,0,0|2,0,0]=3 2083 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,1,0,0,0,0|2,0,0]=3 2084 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,1,0,0,0,0|2,0,0]=3 2085 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,1,0,0,0,0|2,0,0]=3 2086 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,1,0,0,0,0|2,0,0]=3 2087 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,1,0,0,0,0|2,1,0]=4 2088 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,1,0,0,0,0|2,1,0]=4 2089 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,1,0,0,0,0|2,1,0]=4 2090 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,1,0,0,0,0|2,1,0]=4 2091 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,1,0,0,0,0|3,0,0]=4 2092 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,1,0,0,0,0|2,0,0]=3 2093 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,1,0,0,0,0|2,1,0]=4 2094 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,1,0,0,0,0|3,0,0]=4 2095 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,1,0,0,0,0|3,0,0]=4 2096 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,1,0,0,0,0|3,0,0]=4 2097 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,1,0,0,0,0|2,1,0]=4 2098 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,1,0,0,0,0|3,0,0]=4 2099 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,1,0,0,0,0|3,0,0]=4 2100 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,1,0,0,0,0|2,0,0]=3 2101 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,1,0,0,0,0|2,0,0]=3 2102 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,1,0,0,0,0|2,1,0]=4 2103 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,1,0,0,0,0|2,1,0]=4 2104 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,1,0,0,0,0|3,0,0]=4 2105 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,1,0,0,0,0|3,0,0]=4 2106 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,1,0,0,0,0|3,0,0]=4 2107 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,1,0,0,0,0|2,0,0]=3 2108 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,1,0,0,0,0|2,0,0]=3 2109 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,1,0,0,0,0|2,0,0]=3 2110 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,1,0,0,0,0|2,0,0]=3 2111 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,1,0,0,0,0|2,1,0]=4 2112 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,1,0,0,0,0|2,1,0]=4 2113 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [0,1,0,0,0,0|3,0,0]=4 2114 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,1,0,0,0,0|3,0,0]=4 2115 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,1,0,0,0,0|2,0,0]=3 2116 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,1,0,0,0,0|2,0,0]=3 2117 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,1,0,0,0,0|2,0,0]=3 2118 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,1,0,0,0,0|2,0,0]=3 2119 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,1,0,0,0,0|3,0,0]=4 2120 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,1,0,0,0,0|3,0,0]=4 2121 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,1,0,0,0,0|3,0,0]=4 2122 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,1,0,0,0,0|3,0,0]=4 2123 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,1,0,0,0,0|3,0,0]=4 2124 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,1,0,0,0,0|3,0,0]=4 2125 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,1,0,0,0,0|3,0,0]=4 2126 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,1,0,0,0,0|1,0,0]=2 2127 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,1,0,0,0,0|1,0,0]=2 2128 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,1,0,0,0,0|1,0,0]=2 2129 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,1,0,0,0,0|1,0,0]=2 2130 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,1,0,0,0,0|1,0,0]=2 2131 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,1,0,0,0,0|2,0,0]=3 2132 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,1,0,0,0,0|1,0,0]=2 2133 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,1,0,0,0,0|1,0,0]=2 2134 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,1,0,0,0,0|1,1,0]=3 2135 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,1,0,0,0,0|1,1,0]=3 2136 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,1,0,0,0,0|1,1,0]=3 2137 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,1,0,0,0,0|1,1,0]=3 2138 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,1,0,0,0,0|2,1,0]=4 2139 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,1,0,0,0,0|2,1,0]=4 2140 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,1,0,0,0,0|1,1,0]=3 2141 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,1,0,0,0,0|1,1,0]=3 2142 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,1,0,0,0,0|1,2,0]=4 2143 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,1,0,0,0,0|1,2,0]=4 2144 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,1,0,0,0,0|3,0,0]=4 2145 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,1,0,0,0,0|3,0,0]=4 2146 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,1,0,0,0,0|3,0,0]=4 2147 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,1,0,0,0,0|3,0,0]=4 2148 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,1,0,0,0,0|3,0,0]=4 2149 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,1,0,0,0,0|3,0,0]=4 2150 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,1,0,0,0,0|3,0,0]=4 2151 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,1,0,0,0,0|3,0,0]=4 2152 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,1,0,0,0,0|2,0,0]=3 2153 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,1,0,0,0,0|2,0,0]=3 2154 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,1,0,0,0,0|2,0,0]=3 2155 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,1,0,0,0,0|2,1,0]=4 2156 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,1,0,0,0,0|2,0,0]=3 2157 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,1,0,0,0,0|2,0,0]=3 2158 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,1,0,0,0,0|2,0,0]=3 2159 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,1,0,0,0,0|2,0,0]=3 2160 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,1,0,0,0,0|2,1,0]=4 2161 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,1,0,0,0,0|2,1,0]=4 2162 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,1,0,0,0,0|2,1,0]=4 2163 B9R0.45 CCCCOCC#CCCl 34a_200000047223_100000210210 [0,1,0,0,0,0|2,0,1]=4 2164 B9R0.45 CCCCOCC#CCO 34a_100000210227_200000047223 [0,1,0,0,0,0|2,0,1]=4 2165 B9R0.45 CCCCOCC#CCO 7a_100000210227_200000047223 [0,1,0,0,0,0|2,0,1]=4 2166 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [0,1,0,0,0,0|2,0,1]=4 2167 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,1,0,0,0,0|2,0,1]=4 2168 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,1,0,0,0,0|2,0,0]=3 2169 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,1,0,0,0,0|2,0,0]=3 2170 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,1,0,0,0,0|2,0,0]=3 2171 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,1,0,0,0,0|2,0,0]=3 2172 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,1,0,0,0,0|2,0,0]=3 2173 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,1,0,0,0,0|2,0,0]=3 2174 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,1,0,0,0,0|2,0,0]=3 2175 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,1,0,0,0,0|2,0,0]=3 2176 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,1,0,0,0,0|2,0,0]=3 2177 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,1,0,0,0,0|2,0,0]=3 2178 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,1,0,0,0,0|2,0,0]=3 2179 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [0,1,0,0,0,0|2,0,0]=3 2180 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [0,1,0,0,0,0|2,0,0]=3 2181 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [0,1,0,0,0,0|2,0,0]=3 2182 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [0,1,0,0,0,0|2,0,0]=3 2183 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [0,1,0,0,0,0|2,0,0]=3 2184 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,1,0,0,0,0|1,0,0]=2 2185 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,1,0,0,0,0|1,0,0]=2 2186 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,1,0,0,0,0|1,0,0]=2 2187 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,1,0,0,0,0|1,0,0]=2 2188 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,1,0,0,0,0|1,0,0]=2 2189 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,1,0,0,0,0|1,0,0]=2 2190 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,1,0,0,0,0|1,0,0]=2 2191 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,1,0,0,0,0|1,1,0]=3 2192 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,1,0,0,0,0|1,1,0]=3 2193 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,1,0,0,0,0|2,0,0]=3 2194 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,1,0,0,0,0|1,0,0]=2 2195 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,1,0,0,0,0|1,0,0]=2 2196 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,1,0,0,0,0|1,0,0]=2 2197 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,1,0,0,0,0|1,0,0]=2 2198 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,1,0,0,0,0|1,0,0]=2 2199 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,1,0,0,0,0|1,0,0]=2 2200 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,1,0,0,0,0|1,0,0]=2 2201 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,1,0,0,0,0|1,0,0]=2 2202 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,1,0,0,0,0|1,0,0]=2 2203 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,1,0,0,0,0|1,1,0]=3 2204 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,1,0,0,0,0|1,1,0]=3 2205 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,1,0,0,0,0|1,1,0]=3 2206 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,1,0,0,0,0|1,1,0]=3 2207 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,1,0,0,0,0|1,1,0]=3 2208 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,1,0,0,0,0|1,1,0]=3 2209 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [0,1,0,0,0,0|1,1,0]=3 2210 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [0,1,0,0,0,0|1,1,0]=3 2211 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [0,1,0,0,0,0|3,0,0]=4 2212 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,1,0,0,0,0|3,0,0]=4 2213 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,1,0,0,0,0|3,0,0]=4 2214 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,1,0,0,0,0|3,0,0]=4 2215 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,1,0,0,0,0|2,0,0]=3 2216 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,1,0,0,0,0|3,0,0]=4 2217 B9R0.45 CCCCOCSCC#N 62a_100011215382_100011995733 [0,1,0,0,0,0|3,0,0]=4 2218 B9R0.45 CCCCOCSCC#N 62a_100011995733_100011215382 [0,1,0,0,0,0|3,0,0]=4 2219 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,1,0,0,0,0|3,0,0]=4 2220 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,1,0,0,0,0|3,0,0]=4 2221 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [0,1,0,0,0,0|2,0,0]=3 2222 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [0,1,0,0,0,0|2,0,0]=3 2223 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [0,1,0,0,0,0|3,0,0]=4 2224 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [0,1,0,0,0,0|3,0,0]=4 2225 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,1,0,0,0,0|3,0,0]=4 2226 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,1,0,0,0,0|3,0,0]=4 2227 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [0,1,0,0,0,0|1,0,0]=2 2228 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [0,1,0,0,0,0|1,0,0]=2 2229 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [0,1,0,0,0,0|1,1,0]=3 2230 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [0,1,0,0,0,0|1,1,0]=3 2231 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,1,0,0,0,0|2,1,0]=4 2232 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,1,0,0,0,0|2,1,0]=4 2233 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,1,0,0,0,0|2,1,0]=4 2234 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,1,0,0,0,0|2,1,0]=4 2235 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,1,0,0,0,0|1,1,0]=3 2236 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,1,0,0,0,0|1,1,0]=3 2237 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,1,0,0,0,0|2,1,0]=4 2238 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,1,0,0,0,0|1,1,0]=3 2239 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,1,0,0,0,0|1,1,0]=3 2240 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,1,0,0,0,0|1,1,0]=3 2241 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,1,0,0,0,0|1,1,0]=3 2242 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,1,0,0,0,0|1,1,0]=3 2243 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,1,0,0,0,0|1,1,0]=3 2244 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,1,0,0,0,0|1,2,0]=4 2245 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,1,0,0,0,0|1,2,0]=4 2246 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,1,0,0,0,0|3,0,0]=4 2247 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,1,0,0,0,0|3,0,0]=4 2248 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,1,0,0,0,0|2,0,0]=3 2249 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,1,0,0,0,0|2,0,0]=3 2250 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,1,0,0,0,0|2,1,0]=4 2251 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,1,0,0,0,0|2,1,0]=4 2252 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,1,0,0,0,0|3,0,0]=4 2253 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,1,0,0,0,0|3,0,0]=4 2254 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,1,0,0,0,0|3,0,0]=4 2255 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [0,1,0,0,0,0|3,0,0]=4 2256 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [0,1,0,0,0,0|3,0,0]=4 2257 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [0,1,0,0,0,0|3,0,0]=4 2258 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,1,0,0,0,0|2,0,0]=3 2259 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,1,0,0,0,0|2,0,0]=3 2260 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,1,0,0,0,0|3,0,0]=4 2261 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,1,0,0,0,0|3,0,0]=4 2262 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [0,1,0,0,0,0|3,0,0]=4 2263 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [0,1,0,0,0,0|1,0,0]=2 2264 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [0,1,0,0,0,0|1,0,0]=2 2265 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,1,0,0,0,0|2,0,0]=3 2266 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,1,0,0,0,0|2,0,0]=3 2267 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [0,1,0,0,0,0|1,0,0]=2 2268 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [0,1,0,0,0,0|1,0,0]=2 2269 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [0,1,0,0,0,0|1,0,0]=2 2270 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,1,0,0,0,0|3,0,0]=4 2271 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,1,0,0,0,0|3,0,0]=4 2272 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,1,0,0,0,0|3,0,0]=4 2273 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,1,0,0,0,0|3,0,0]=4 2274 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,1,0,0,0,0|3,0,0]=4 2275 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,1,0,0,0,0|3,0,0]=4 2276 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,1,0,0,0,0|3,0,0]=4 2277 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,1,0,0,0,0|3,0,0]=4 2278 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,1,0,0,0,0|3,0,0]=4 2279 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,1,0,0,0,0|2,0,0]=3 2280 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [0,1,0,0,0,0|2,0,0]=3 2281 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [0,1,0,0,0,0|2,1,0]=4 2282 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [0,1,0,0,0,0|2,1,0]=4 2283 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [0,1,0,0,0,0|2,1,0]=4 2284 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [0,1,0,0,0,0|2,0,0]=3 2285 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [0,1,0,0,0,0|2,0,0]=3 2286 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [0,1,0,0,0,0|2,1,0]=4 2287 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [0,1,0,0,0,0|2,1,0]=4 2288 B9R0.45 CCOCCNCCC#N 2230a_102516460346_100011215226 [0,1,0,0,0,0|3,0,0]=4 2289 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [0,1,0,0,0,0|3,0,0]=4 2290 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [0,1,0,0,0,0|3,0,0]=4 2291 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [0,1,0,0,0,0|3,0,0]=4 2292 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [0,1,0,0,0,0|3,0,0]=4 2293 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,1,0,0,0,0|3,0,0]=4 2294 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,1,0,0,0,0|3,0,0]=4 2295 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [0,1,0,0,0,0|1,0,0]=2 2296 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [0,1,0,0,0,0|1,0,0]=2 2297 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [0,1,0,0,0,0|1,0,0]=2 2298 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [0,1,0,0,0,0|1,1,0]=3 2299 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [0,1,0,0,0,0|1,1,0]=3 2300 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [0,1,0,0,0,0|1,1,0]=3 2301 B9R0.45 CCOCCOCCC#N 7a_100000210136_100000184422 [0,1,0,0,0,0|2,0,0]=3 2302 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [0,1,0,0,0,0|2,0,0]=3 2303 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [0,1,0,0,0,0|2,0,0]=3 2304 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [0,1,0,0,0,0|2,0,0]=3 2305 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [0,1,0,0,0,0|2,0,0]=3 2306 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [0,1,0,0,0,0|2,0,0]=3 2307 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [0,1,0,0,0,0|2,0,0]=3 2308 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,1,0,0,0,0|2,0,0]=3 2309 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,1,0,0,0,0|2,0,0]=3 2310 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [0,1,0,0,0,0|1,0,0]=2 2311 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [0,1,0,0,0,0|1,0,0]=2 2312 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [0,1,0,0,0,0|1,0,0]=2 2313 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [0,1,0,0,0,0|1,0,0]=2 2314 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [0,1,0,0,0,0|1,0,0]=2 2315 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [0,1,0,0,0,0|1,0,0]=2 2316 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [0,1,0,0,0,0|1,0,0]=2 2317 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [0,1,0,0,0,0|1,0,0]=2 2318 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [0,1,0,0,0,0|0,0,0]=1 2319 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [0,1,0,0,0,0|0,0,0]=1 2320 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [0,1,0,0,0,0|0,0,0]=1 2321 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [0,1,0,0,0,0|0,0,0]=1 2322 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [0,1,0,0,0,0|0,0,0]=1 2323 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [0,1,0,0,0,0|0,0,0]=1 2324 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [0,1,0,0,0,0|0,0,0]=1 2325 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [0,1,0,0,0,0|0,0,0]=1 2326 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [0,1,0,0,0,0|0,0,0]=1 2327 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [0,1,0,0,0,0|1,0,0]=2 2328 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [0,1,0,0,0,0|0,0,0]=1 2329 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [0,1,0,0,0,0|0,0,0]=1 2330 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [0,1,0,0,0,0|0,1,0]=2 2331 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [0,1,0,0,0,0|0,1,0]=2 2332 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [0,1,0,0,0,0|0,1,0]=2 2333 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [0,1,0,0,0,0|0,1,0]=2 2334 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [0,1,0,0,0,0|0,1,0]=2 2335 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [0,1,0,0,0,0|0,1,0]=2 2336 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [0,1,0,0,0,0|0,1,0]=2 2337 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [0,1,0,0,0,0|0,1,0]=2 2338 B9R0.45 CCOCCSCCC#N 62a_100000210147_100011215226 [0,1,0,0,0,0|2,1,0]=4 2339 B9R0.45 CCOCCSCCC#N 62a_100011215226_100011215890 [0,1,0,0,0,0|2,1,0]=4 2340 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,1,0,0,0,0|2,1,0]=4 2341 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,1,0,0,0,0|2,1,0]=4 2342 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,1,0,0,0,0|2,1,0]=4 2343 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,1,0,0,0,0|2,1,0]=4 2344 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,1,0,0,0,0|0,1,0]=2 2345 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,1,0,0,0,0|0,1,0]=2 2346 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [0,1,0,0,0,0|0,2,0]=3 2347 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [0,1,0,0,0,0|0,2,0]=3 2348 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [0,1,0,0,0,0|2,1,0]=4 2349 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [0,1,0,0,0,0|2,1,0]=4 2350 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [0,1,0,0,0,0|2,0,0]=3 2351 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [0,1,0,0,0,0|2,0,0]=3 2352 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [0,1,0,0,0,0|1,1,0]=3 2353 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [0,1,0,0,0,0|1,1,0]=3 2354 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [0,1,0,0,0,0|1,2,0]=4 2355 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [0,1,0,0,0,0|1,2,0]=4 2356 B9R0.45 CCSCCOCCC#N 7a_100000212035_100000184422 [0,1,0,0,0,0|2,1,0]=4 2357 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [0,1,0,0,0,0|2,1,0]=4 2358 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [0,1,0,0,0,0|2,1,0]=4 2359 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [0,1,0,0,0,0|2,1,0]=4 2360 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [0,1,0,0,0,0|2,1,0]=4 2361 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [0,1,0,0,0,0|2,1,0]=4 2362 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [0,1,0,0,0,0|2,1,0]=4 2363 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,1,0,0,0,0|2,1,0]=4 2364 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,1,0,0,0,0|2,1,0]=4 2365 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [0,1,0,0,0,0|0,1,0]=2 2366 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [0,1,0,0,0,0|0,1,0]=2 2367 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [0,1,0,0,0,0|0,1,0]=2 2368 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [0,1,0,0,0,0|0,1,0]=2 2369 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [0,1,0,0,0,0|0,1,0]=2 2370 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [0,1,0,0,0,0|1,1,0]=3 2371 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [0,1,0,0,0,0|0,2,0]=3 2372 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [0,1,0,0,0,0|0,2,0]=3 2373 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [0,1,0,0,0,0|0,2,0]=3 2374 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [0,1,0,0,0,0|0,2,0]=3 2375 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [0,1,0,0,0,0|0,2,0]=3 2376 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [0,1,0,0,0,0|0,2,0]=3 2377 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [0,1,0,0,0,0|0,3,0]=4 2378 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [0,1,0,0,0,0|0,3,0]=4 2379 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,1,0,0,0,0|3,0,0]=4 2380 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,1,0,0,0,0|3,0,0]=4 2381 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,1,0,0,0,0|3,0,0]=4 2382 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,1,0,0,0,0|3,0,0]=4 2383 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,1,0,0,0,0|3,0,0]=4 2384 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,1,0,0,0,0|2,0,0]=3 2385 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,1,0,0,0,0|2,0,0]=3 2386 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,1,0,0,0,0|2,0,0]=3 2387 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [0,1,0,0,0,0|2,0,0]=3 2388 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [0,1,0,0,0,0|3,0,0]=4 2389 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,1,0,0,0,0|3,0,0]=4 2390 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,1,0,0,0,0|3,0,0]=4 2391 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,1,0,0,0,0|3,0,0]=4 2392 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [0,1,0,0,0,0|1,0,0]=2 2393 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [0,1,0,0,0,0|1,0,0]=2 2394 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [0,1,0,0,0,0|1,0,0]=2 2395 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [0,1,0,0,0,0|1,0,0]=2 2396 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [0,1,0,0,0,0|1,0,0]=2 2397 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [0,1,0,0,0,0|1,0,0]=2 2398 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [0,1,0,0,0,0|1,1,0]=3 2399 B9R0.45 CNCCOCCN=[N+]=[N-] 2230a_100102953956_200000210301 [0,1,0,0,0,0|3,0,0]=4 2400 B9R0.45 CNCCOCCOCF 34a_100000228057_100015361967 [0,1,0,0,0,0|1,0,0]=2 2401 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,1,0,0,0,0|2,0,0]=3 2402 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,1,0,0,0,0|2,0,0]=3 2403 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,1,0,0,0,0|2,0,0]=3 2404 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,1,0,0,0,0|2,0,0]=3 2405 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,1,0,0,0,0|1,0,0]=2 2406 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,1,0,0,0,0|1,0,0]=2 2407 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,1,0,0,0,0|1,0,0]=2 2408 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,1,0,0,0,0|1,0,0]=2 2409 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,1,0,0,0,0|1,0,0]=2 2410 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,1,0,0,0,0|1,1,0]=3 2411 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,1,0,0,0,0|1,1,0]=3 2412 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,1,0,0,0,0|1,1,0]=3 2413 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,1,0,0,0,0|1,1,0]=3 2414 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [0,1,0,0,0,0|2,0,0]=3 2415 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [0,1,0,0,0,0|3,0,0]=4 2416 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,1,0,0,0,0|3,0,0]=4 2417 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,1,0,0,0,0|3,0,0]=4 2418 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [0,1,0,0,0,0|3,0,0]=4 2419 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,1,0,0,0,0|3,0,0]=4 2420 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,1,0,0,0,0|3,0,0]=4 2421 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,1,0,0,0,0|3,0,0]=4 2422 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,1,0,0,0,0|3,0,0]=4 2423 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [0,1,0,0,0,0|1,1,0]=3 2424 B9R0.45 COCCCCSCC#N 62a_100000730899_100011215382 [0,1,0,0,0,0|3,0,0]=4 2425 B9R0.45 COCCCCSCC#N 62a_100011215382_100000730899 [0,1,0,0,0,0|3,0,0]=4 2426 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,1,0,0,0,0|3,0,0]=4 2427 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,1,0,0,0,0|3,0,0]=4 2428 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,1,0,0,0,0|3,0,0]=4 2429 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,1,0,0,0,0|3,0,0]=4 2430 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,1,0,0,0,0|3,0,0]=4 2431 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,1,0,0,0,0|3,0,0]=4 2432 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [0,1,0,0,0,0|1,0,0]=2 2433 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [0,1,0,0,0,0|1,0,0]=2 2434 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [0,1,0,0,0,0|1,1,0]=3 2435 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [0,1,0,0,0,0|1,1,0]=3 2436 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [0,1,0,0,0,0|3,0,0]=4 2437 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [0,1,0,0,0,0|3,0,0]=4 2438 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [0,1,0,0,0,0|3,0,0]=4 2439 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,1,0,0,0,0|3,0,0]=4 2440 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [0,1,0,0,0,0|1,0,0]=2 2441 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [0,1,0,0,0,0|1,0,0]=2 2442 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [0,1,0,0,0,0|1,1,0]=3 2443 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [0,1,0,0,0,0|1,1,0]=3 2444 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [0,1,0,0,0,0|2,0,0]=3 2445 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [0,1,0,0,0,0|2,0,0]=3 2446 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [0,1,0,0,0,0|2,0,0]=3 2447 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [0,1,0,0,0,0|2,0,0]=3 2448 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [0,1,0,0,0,0|2,0,0]=3 2449 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [0,1,0,0,0,0|2,0,0]=3 2450 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,1,0,0,0,0|2,0,0]=3 2451 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [0,1,0,0,0,0|0,0,0]=1 2452 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [0,1,0,0,0,0|0,0,0]=1 2453 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [0,1,0,0,0,0|0,0,0]=1 2454 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [0,1,0,0,0,0|1,0,0]=2 2455 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [0,1,0,0,0,0|0,1,0]=2 2456 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [0,1,0,0,0,0|0,1,0]=2 2457 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [0,1,0,0,0,0|0,1,0]=2 2458 B9R0.45 COCCCSCCC#N 62a_100000709357_100011215226 [0,1,0,0,0,0|2,1,0]=4 2459 B9R0.45 COCCCSCCC#N 62a_100011215226_100000709357 [0,1,0,0,0,0|2,1,0]=4 2460 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [0,1,0,0,0,0|2,1,0]=4 2461 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [0,1,0,0,0,0|2,1,0]=4 2462 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,1,0,0,0,0|2,1,0]=4 2463 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,1,0,0,0,0|2,1,0]=4 2464 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [0,1,0,0,0,0|0,1,0]=2 2465 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [0,1,0,0,0,0|0,1,0]=2 2466 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [0,1,0,0,0,0|0,2,0]=3 2467 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [0,1,0,0,0,0|0,2,0]=3 2468 B9R0.45 COCCNCC#CCO 2230a_100000209980_200000047223 [0,1,0,0,0,0|2,0,1]=4 2469 B9R0.45 COCCNCCCC#N 2230a_100000209980_100000687738 [0,1,0,0,0,0|2,0,1]=4 2470 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,1,0,0,0,0|2,0,1]=4 2471 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [0,1,0,0,0,0|2,0,0]=3 2472 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,1,0,0,0,0|2,0,0]=3 2473 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,1,0,0,0,0|2,0,0]=3 2474 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,1,0,0,0,0|2,0,0]=3 2475 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [0,1,0,0,0,0|1,1,0]=3 2476 B9R0.45 COCCOCC#CCCl 34a_200000047223_100011201679 [0,1,0,0,0,0|1,0,1]=3 2477 B9R0.45 COCCOCC#CCO 34a_100000210237_200000047223 [0,1,0,0,0,0|1,0,1]=3 2478 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [0,1,0,0,0,0|1,0,0]=2 2479 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [0,1,0,0,0,0|1,0,0]=2 2480 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [0,1,0,0,0,0|1,0,0]=2 2481 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [0,1,0,0,0,0|1,0,0]=2 2482 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [0,1,0,0,0,0|1,0,0]=2 2483 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [0,1,0,0,0,0|1,0,0]=2 2484 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [0,1,0,0,0,0|1,0,0]=2 2485 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [0,1,0,0,0,0|1,0,0]=2 2486 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,1,0,0,0,0|1,0,0]=2 2487 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [0,1,0,0,0,0|1,0,0]=2 2488 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [0,1,0,0,0,0|1,0,0]=2 2489 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [0,1,0,0,0,0|0,1,0]=2 2490 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [0,1,0,0,0,0|0,1,0]=2 2491 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [0,1,0,0,0,0|0,1,0]=2 2492 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [0,1,0,0,0,0|0,1,0]=2 2493 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [0,1,0,0,0,0|0,1,0]=2 2494 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [0,1,0,0,0,0|0,1,0]=2 2495 B9R0.45 COCCOCCNCF 34a_100000745349_100015361967 [0,1,0,0,0,0|1,0,0]=2 2496 B9R0.45 COCCOCCOCF 34a_100011215163_100015361967 [0,1,0,0,0,0|0,0,0]=1 2497 B9R0.45 COCCOCCOCF 7a_100011215163_100015361967 [0,1,0,0,0,0|0,0,0]=1 2498 B9R0.45 COCCOCCSCF 62a_100000695917_100015361967 [0,1,0,0,0,0|0,1,0]=2 2499 B9R0.45 COCCOCCSCF 62a_100015361967_100000695917 [0,1,0,0,0,0|0,1,0]=2 2500 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [0,1,0,0,0,0|2,0,0]=3 2501 B9R0.45 COCCOCSCC#N 62a_100000231047_100011215382 [0,1,0,0,0,0|2,0,0]=3 2502 B9R0.45 COCCOCSCC#N 62a_100011215382_100000231047 [0,1,0,0,0,0|2,0,0]=3 2503 B9R0.45 COCCOCSCC=O 62a_100000231047_200015260668 [0,1,0,0,0,0|2,0,0]=3 2504 B9R0.45 COCCOCSCC=O 62a_200015260668_100000231047 [0,1,0,0,0,0|2,0,0]=3 2505 B9R0.45 COCCOCSCCF 62a_100000231047_100011217306 [0,1,0,0,0,0|2,0,0]=3 2506 B9R0.45 COCCOCSCCF 62a_100011217306_100000231047 [0,1,0,0,0,0|2,0,0]=3 2507 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [0,1,0,0,0,0|2,0,0]=3 2508 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [0,1,0,0,0,0|2,0,0]=3 2509 B9R0.45 COCCOCSCOC 62a_100000231047_100000766300 [0,1,0,0,0,0|0,0,0]=1 2510 B9R0.45 COCCOCSCOC 62a_100000766300_100000231047 [0,1,0,0,0,0|0,0,0]=1 2511 B9R0.45 COCCOCSCSC 62a_100000231047_100011218213 [0,1,0,0,0,0|0,1,0]=2 2512 B9R0.45 COCCOCSCSC 62a_100011218213_100000231047 [0,1,0,0,0,0|0,1,0]=2 2513 B9R0.45 COCCSCC#CCO 62a_100000233755_200000047223 [0,1,0,0,0,0|1,1,1]=4 2514 B9R0.45 COCCSCC#CCO 62a_200000047223_100000233755 [0,1,0,0,0,0|1,1,1]=4 2515 B9R0.45 COCCSCCCC#N 62a_100000233755_100000687738 [0,1,0,0,0,0|1,1,1]=4 2516 B9R0.45 COCCSCCCC#N 62a_100000687738_100000233755 [0,1,0,0,0,0|1,1,1]=4 2517 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,1,0,0,0,0|1,1,1]=4 2518 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,1,0,0,0,0|1,1,1]=4 2519 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [0,1,0,0,0,0|1,1,0]=3 2520 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [0,1,0,0,0,0|1,1,0]=3 2521 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,1,0,0,0,0|1,1,0]=3 2522 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,1,0,0,0,0|1,1,0]=3 2523 B9R0.45 COCCSCCSC#N 62a_100000034367_100000233755 [0,1,0,0,0,0|0,2,1]=4 2524 B9R0.45 COCCSCCSC#N 62a_100000233755_100000034367 [0,1,0,0,0,0|0,2,1]=4 2525 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,1,0,0,0,0|3,0,0]=4 2526 B9R0.45 COCSCCCCC#N 62a_100000766300_100000211819 [0,1,0,0,0,0|3,0,0]=4 2527 B9R0.45 COCSCCCCC#N 62a_100011219923_100000766300 [0,1,0,0,0,0|3,0,0]=4 2528 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,1,0,0,0,0|3,0,0]=4 2529 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,1,0,0,0,0|3,0,0]=4 2530 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [0,1,0,0,0,0|3,0,0]=4 2531 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [0,1,0,0,0,0|3,0,0]=4 2532 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,1,0,0,0,0|3,0,0]=4 2533 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,1,0,0,0,0|3,0,0]=4 2534 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,1,0,0,0,0|2,1,0]=4 2535 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,1,0,0,0,0|2,1,0]=4 2536 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [0,1,0,0,0,0|1,2,0]=4 2537 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [0,1,0,0,0,0|1,2,0]=4 2538 B9R0.45 CSCCCOCCC#N 7a_100000690336_100000184422 [0,1,0,0,0,0|2,1,0]=4 2539 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [0,1,0,0,0,0|2,1,0]=4 2540 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [0,1,0,0,0,0|2,1,0]=4 2541 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,1,0,0,0,0|2,1,0]=4 2542 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,1,0,0,0,0|2,1,0]=4 2543 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [0,1,0,0,0,0|0,2,0]=3 2544 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [0,1,0,0,0,0|0,2,0]=3 2545 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [0,1,0,0,0,0|2,1,0]=4 2546 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,1,0,0,0,0|2,1,0]=4 2547 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,1,0,0,0,0|2,1,0]=4 2548 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,1,0,0,0,0|2,1,0]=4 2549 B9R0.45 CSCCOCC#CCCl 34a_200000047223_100000212216 [0,1,0,0,0,0|1,1,1]=4 2550 B9R0.45 CSCCOCC#CCO 34a_100000230434_200000047223 [0,1,0,0,0,0|1,1,1]=4 2551 B9R0.45 CSCCOCC#CCO 7a_100000230434_200000047223 [0,1,0,0,0,0|1,1,1]=4 2552 B9R0.45 CSCCOCCCC#N 7a_100000230434_100000687738 [0,1,0,0,0,0|1,1,1]=4 2553 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,1,0,0,0,0|1,1,1]=4 2554 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [0,1,0,0,0,0|1,1,0]=3 2555 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [0,1,0,0,0,0|1,1,0]=3 2556 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [0,1,0,0,0,0|1,1,0]=3 2557 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [0,1,0,0,0,0|1,1,0]=3 2558 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [0,1,0,0,0,0|1,1,0]=3 2559 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [0,1,0,0,0,0|1,1,0]=3 2560 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [0,1,0,0,0,0|1,1,0]=3 2561 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [0,1,0,0,0,0|1,1,0]=3 2562 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [0,1,0,0,0,0|1,1,0]=3 2563 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,1,0,0,0,0|1,1,0]=3 2564 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,1,0,0,0,0|1,1,0]=3 2565 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [0,1,0,0,0,0|1,2,0]=4 2566 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [0,1,0,0,0,0|1,2,0]=4 2567 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,1,0,0,0,0|1,2,0]=4 2568 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,1,0,0,0,0|1,2,0]=4 2569 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,1,0,0,0,0|3,0,0]=4 2570 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,1,0,0,0,0|3,0,0]=4 2571 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [0,1,0,0,0,0|3,0,0]=4 2572 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [0,1,0,0,0,0|3,0,0]=4 2573 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [0,1,0,0,0,0|3,0,0]=4 2574 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [0,1,0,0,0,0|3,0,0]=4 2575 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [0,1,0,0,0,0|3,0,0]=4 2576 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [0,1,0,0,0,0|3,0,0]=4 2577 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [0,1,0,0,0,0|3,0,0]=4 2578 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [0,1,0,0,0,0|3,0,0]=4 2579 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [0,1,0,0,0,0|3,0,0]=4 2580 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,1,0,0,0,0|3,0,0]=4 2581 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,1,0,0,0,0|3,0,0]=4 2582 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,1,0,0,0,0|3,0,0]=4 2583 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,1,0,0,0,0|3,0,0]=4 2584 B9R0.45 N#CCCOCCCCCl 7a_100000210776_100000184422 [0,1,0,0,0,0|3,0,0]=4 2585 B9R0.45 N#CCCOCCCCF 7a_100011995726_100000184422 [0,1,0,0,0,0|3,0,0]=4 2586 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,1,0,0,0,0|3,0,0]=4 2587 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [0,1,0,0,0,0|3,0,0]=4 2588 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,1,0,0,0,0|3,0,0]=4 2589 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [0,1,0,0,0,0|3,0,0]=4 2590 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,1,0,0,0,0|3,0,0]=4 2591 B9R0.45 NOCCOCC#CCO 34a_100000700252_200000047223 [0,1,0,0,0,0|2,0,1]=4 2592 B9R0.45 NOCCOCCCCF 34a_100000700252_100000729493 [0,1,0,0,0,0|2,0,0]=3 2593 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [0,1,0,0,0,0|2,0,0]=3 2594 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,1,0,0,0,0|3,0,0]=4 2595 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,1,0,0,0,0|3,0,0]=4 2596 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,1,0,0,0,0|3,0,0]=4 2597 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,1,0,0,0,0|3,0,0]=4 2598 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,1,0,0,0,0|3,0,0]=4 2599 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,1,0,0,0,0|3,0,0]=4 2600 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,1,0,0,0,0|3,0,0]=4 2601 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,1,0,0,0,0|3,0,0]=4 2602 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,1,0,0,0,0|3,0,0]=4 2603 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,1,0,0,0,0|3,0,0]=4 2604 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,1,0,0,0,0|3,0,0]=4 2605 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,1,0,0,0,0|3,0,0]=4 2606 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,1,0,0,0,0|3,0,0]=4 2607 B9R0.45 [13CH3]NCCOCCN=[N+]=[N-] 2230a_100102953956_200025704644 [0,1,0,0,0,0|3,0,0]=4 2608 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,1,0,0,0,0|2,0,0]=3 2609 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,1,0,0,0,0|2,0,0]=3 2610 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,1,0,0,0,0|2,0,0]=3 2611 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [0,1,0,0,0,0|2,0,0]=3 2612 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,1,0,0,0,0|2,1,0]=4 2613 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,1,0,0,0,0|2,1,0]=4 2614 B9R0.46 C#CCCNC[C@@H](C)OC 2230a_100020591295_100000688953 [0,1,0,0,0,0|2,0,1]=4 2615 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,1,0,0,0,0|1,0,2]=4 2616 B9R0.46 C#CCCOCC(C)CC 34a_100011215631_100000748023 [0,1,0,0,0,0|2,0,1]=4 2617 B9R0.46 C#CCCOCC(C)OC 34a_100000690652_100000688953 [0,1,0,0,0,0|1,0,1]=3 2618 B9R0.46 C#CCCOCC(O)CC 34a_100011215631_100011218378 [0,1,0,0,0,0|2,0,1]=4 2619 B9R0.46 C#CCCOC[C@@H](C)CC 34a_100011215631_100009816398 [0,1,0,0,0,0|2,0,1]=4 2620 B9R0.46 C#CCCOC[C@@H](C)CC 7a_100009816381_100000688953 [0,1,0,0,0,0|2,0,1]=4 2621 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,1,0,0,0,0|1,0,2]=4 2622 B9R0.46 C/C=C/COCC(C)CC 34a_100016270725_100000748023 [0,1,0,0,0,0|2,0,1]=4 2623 B9R0.46 C/C=C/COCC(C)OC 34a_100000690652_100102629194 [0,1,0,0,0,0|1,0,1]=3 2624 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [0,1,0,0,0,0|2,0,1]=4 2625 B9R0.46 C/C=C/COC[C@@H](C)CC 34a_100016270725_100009816398 [0,1,0,0,0,0|2,0,1]=4 2626 B9R0.46 C/C=C/COC[C@@H](C)CC 7a_100009816381_100102629194 [0,1,0,0,0,0|2,0,1]=4 2627 B9R0.46 C=C(C#N)COCCOC 34a_100000210237_100000694840 [0,1,0,0,0,0|2,0,1]=4 2628 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,1,0,0,0,0|2,0,1]=4 2629 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,1,0,0,0,0|2,0,1]=4 2630 B9R0.46 C=CC(C)COCCOC 34a_100011215527_100011201679 [0,1,0,0,0,0|1,0,1]=3 2631 B9R0.46 C=CC(C)COCCOC 7a_100011215527_100000233755 [0,1,0,0,0,0|1,0,1]=3 2632 B9R0.46 C=CC(C)COCCSC 34a_100011215527_100000212216 [0,1,0,0,0,0|1,1,1]=4 2633 B9R0.46 C=CC(C)COCCSC 7a_100011215527_100000212216 [0,1,0,0,0,0|1,1,1]=4 2634 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [0,1,0,0,0,0|2,0,1]=4 2635 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,1,0,0,0,0|2,0,1]=4 2636 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,1,0,0,0,0|2,0,1]=4 2637 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [0,1,0,0,0,0|1,0,1]=3 2638 B9R0.46 C=CC(O)COCCON 34a_100000700252_100000730141 [0,1,0,0,0,0|2,0,1]=4 2639 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [0,1,0,0,0,0|1,1,1]=4 2640 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [0,1,0,0,0,0|1,1,1]=4 2641 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [0,1,0,0,0,0|1,1,1]=4 2642 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [0,1,0,0,0,0|1,1,1]=4 2643 B9R0.46 C=CCCNC[C@@H](C)OC 2230a_100020591295_100000754431 [0,1,0,0,0,0|2,0,1]=4 2644 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,1,0,0,0,0|1,0,2]=4 2645 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [0,1,0,0,0,0|2,0,1]=4 2646 B9R0.46 C=CCCOCC(C)OC 34a_100000690652_100000754431 [0,1,0,0,0,0|1,0,1]=3 2647 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [0,1,0,0,0,0|2,0,1]=4 2648 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [0,1,0,0,0,0|2,0,1]=4 2649 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [0,1,0,0,0,0|2,0,1]=4 2650 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|2,0,1]=4 2651 B9R0.46 C=C[C@H](N)COCCOC 34a_100016989147_100011201679 [0,1,0,0,0,0|1,0,1]=3 2652 B9R0.46 C=C[C@H](N)COCCSC 34a_100016989147_100000212216 [0,1,0,0,0,0|1,1,1]=4 2653 B9R0.46 CC#CCNC[C@@H](C)OC 2230a_100020591295_100000748600 [0,1,0,0,0,0|2,0,1]=4 2654 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,1,0,0,0,0|1,0,2]=4 2655 B9R0.46 CC#CCOCC(C)CC 34a_100000761923_100000748023 [0,1,0,0,0,0|2,0,1]=4 2656 B9R0.46 CC#CCOCC(C)OC 34a_100000690652_100000748600 [0,1,0,0,0,0|1,0,1]=3 2657 B9R0.46 CC#CCOCC(O)CC 34a_100000761923_100011218378 [0,1,0,0,0,0|2,0,1]=4 2658 B9R0.46 CC#CCOC[C@@H](C)CC 34a_100000761923_100009816398 [0,1,0,0,0,0|2,0,1]=4 2659 B9R0.46 CC#CCOC[C@@H](C)CC 7a_100009816381_100000748600 [0,1,0,0,0,0|2,0,1]=4 2660 B9R0.46 CC=CCNC[C@@H](C)OC 2230a_100020591295_100000070051 [0,1,0,0,0,0|2,0,1]=4 2661 B9R0.46 CC=CCOCC(C)OC 34a_100000690652_100000070051 [0,1,0,0,0,0|1,0,1]=3 2662 B9R0.46 CC=CCOC[C@@H](C)CC 7a_100009816381_100000070051 [0,1,0,0,0,0|2,0,1]=4 2663 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|2,0,1]=4 2664 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|1,0,1]=3 2665 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|1,0,1]=3 2666 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|1,1,1]=4 2667 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|1,1,1]=4 2668 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|1,1,1]=4 2669 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|1,1,1]=4 2670 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [0,1,0,0,0,0|3,0,0]=4 2671 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,1,0,0,0,0|2,0,0]=3 2672 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,1,0,0,0,0|2,0,0]=3 2673 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,1,0,0,0,0|2,0,0]=3 2674 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,1,0,0,0,0|2,1,0]=4 2675 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,1,0,0,0,0|2,1,0]=4 2676 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,1,0,0,0,0|2,1,0]=4 2677 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,1,0,0,0,0|3,0,0]=4 2678 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,1,0,0,0,0|3,0,0]=4 2679 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,1,0,0,0,0|3,0,0]=4 2680 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,1,0,0,0,0|3,0,0]=4 2681 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,1,0,0,0,0|1,0,0]=2 2682 B9R0.46 CCC(C)COCCON 34a_100000700252_100000748023 [0,1,0,0,0,0|2,0,0]=3 2683 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,1,0,0,0,0|1,1,0]=3 2684 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,1,0,0,0,0|1,1,0]=3 2685 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,1,0,0,0,0|1,1,0]=3 2686 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,1,0,0,0,0|1,1,0]=3 2687 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,1,0,0,0,0|1,2,0]=4 2688 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,1,0,0,0,0|1,2,0]=4 2689 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,1,0,0,0,0|3,0,0]=4 2690 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,1,0,0,0,0|3,0,0]=4 2691 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,1,0,0,0,0|3,0,0]=4 2692 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,1,0,0,0,0|3,0,0]=4 2693 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,1,0,0,0,0|3,0,0]=4 2694 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,1,0,0,0,0|3,0,0]=4 2695 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,1,0,0,0,0|2,0,0]=3 2696 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,1,0,0,0,0|2,0,0]=3 2697 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,1,0,0,0,0|2,1,0]=4 2698 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,1,0,0,0,0|2,1,0]=4 2699 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,1,0,0,0,0|3,0,0]=4 2700 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,1,0,0,0,0|3,0,0]=4 2701 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,1,0,0,0,0|3,0,0]=4 2702 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,1,0,0,0,0|3,0,0]=4 2703 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,1,0,0,0,0|1,0,0]=2 2704 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [0,1,0,0,0,0|2,0,0]=3 2705 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,1,0,0,0,0|1,1,0]=3 2706 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,1,0,0,0,0|1,1,0]=3 2707 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,1,0,0,0,0|1,1,0]=3 2708 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,1,0,0,0,0|1,1,0]=3 2709 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,1,0,0,0,0|1,2,0]=4 2710 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,1,0,0,0,0|1,2,0]=4 2711 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|3,0,0]=4 2712 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|3,0,0]=4 2713 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|3,0,0]=4 2714 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|3,0,0]=4 2715 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|3,0,0]=4 2716 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|3,0,0]=4 2717 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|3,0,0]=4 2718 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|3,0,0]=4 2719 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|2,0,0]=3 2720 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|2,0,0]=3 2721 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|2,0,0]=3 2722 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|2,0,0]=3 2723 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|2,0,0]=3 2724 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|2,1,0]=4 2725 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|2,1,0]=4 2726 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|2,1,0]=4 2727 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|2,1,0]=4 2728 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|3,0,0]=4 2729 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|3,0,0]=4 2730 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|2,0,1]=4 2731 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|2,0,1]=4 2732 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,1,0,0,0,0|3,0,0]=4 2733 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,1,0,0,0,0|3,0,0]=4 2734 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,1,0,0,0,0|3,0,0]=4 2735 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,1,0,0,0,0|3,0,0]=4 2736 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,0,0,0,0|3,0,0]=4 2737 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,0,0,0,0|3,0,0]=4 2738 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,0,0,0,0|3,0,0]=4 2739 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,1,0,0,0,0|3,0,0]=4 2740 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,1,0,0,0,0|3,0,0]=4 2741 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|2,0,0]=3 2742 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|2,0,1]=4 2743 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|2,0,1]=4 2744 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|2,0,1]=4 2745 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|2,0,1]=4 2746 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|2,0,1]=4 2747 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|2,0,1]=4 2748 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|2,0,1]=4 2749 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|2,0,1]=4 2750 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|2,0,1]=4 2751 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|2,0,1]=4 2752 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|2,0,1]=4 2753 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|1,0,1]=3 2754 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|1,0,1]=3 2755 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,1,0,0,0,0|2,0,0]=3 2756 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,1,0,0,0,0|2,0,0]=3 2757 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,1,0,0,0,0|3,0,0]=4 2758 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|1,0,0]=2 2759 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|1,0,0]=2 2760 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|1,0,0]=2 2761 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|1,0,0]=2 2762 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|1,0,0]=2 2763 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,1,0,0,0,0|3,0,0]=4 2764 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,0,0,0,0|2,0,0]=3 2765 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,0,0,0,0|2,0,0]=3 2766 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,0,0,0,0|3,0,0]=4 2767 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,0,0,0,0|3,0,0]=4 2768 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,1,0,0,0,0|3,0,0]=4 2769 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,1,0,0,0,0|3,0,0]=4 2770 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,1,0,0,0,0|2,0,0]=3 2771 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,1,0,0,0,0|2,0,0]=3 2772 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,1,0,0,0,0|2,0,0]=3 2773 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,0,0,0,0|3,0,0]=4 2774 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,0,0,0,0|3,0,0]=4 2775 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,1,0,0,0,0|3,0,0]=4 2776 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,1,0,0,0,0|3,0,0]=4 2777 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,0,0,0,0|3,0,0]=4 2778 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,0,0,0,0|3,0,0]=4 2779 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,1,0,0,0,0|3,0,0]=4 2780 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|1,1,1]=4 2781 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|1,1,1]=4 2782 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,1,0,0,0,0|2,1,0]=4 2783 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,1,0,0,0,0|2,1,0]=4 2784 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,1,0,0,0,0|2,1,0]=4 2785 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,1,0,0,0,0|2,1,0]=4 2786 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,1,0,0,0,0|2,1,0]=4 2787 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,1,0,0,0,0|2,1,0]=4 2788 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|3,0,0]=4 2789 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 2790 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 2791 B9R0.46 CCN(C)COCCOC 2230a_100000225621_100000231047 [0,1,0,0,0,0|2,0,0]=3 2792 B9R0.46 CCN(C)COCCOC 269982a_100000225621_100000231047 [0,1,0,0,0,0|2,0,0]=3 2793 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,1,0,0,0,0|2,0,0]=3 2794 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,1,0,0,0,0|2,1,0]=4 2795 B9R0.46 CC[C@H](C)COCCC#N 7a_100009816381_100000184422 [0,1,0,0,0,0|3,0,0]=4 2796 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [0,1,0,0,0,0|3,0,0]=4 2797 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [0,1,0,0,0,0|3,0,0]=4 2798 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [0,1,0,0,0,0|3,0,0]=4 2799 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [0,1,0,0,0,0|3,0,0]=4 2800 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [0,1,0,0,0,0|3,0,0]=4 2801 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,1,0,0,0,0|3,0,0]=4 2802 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [0,1,0,0,0,0|1,0,0]=2 2803 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [0,1,0,0,0,0|1,0,0]=2 2804 B9R0.46 CC[C@H](C)COCCON 34a_100000700252_100009816398 [0,1,0,0,0,0|2,0,0]=3 2805 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,1,0,0,0,0|1,1,0]=3 2806 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,1,0,0,0,0|1,1,0]=3 2807 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,1,0,0,0,0|1,1,0]=3 2808 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,1,0,0,0,0|1,1,0]=3 2809 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,1,0,0,0,0|1,1,0]=3 2810 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,1,0,0,0,0|1,2,0]=4 2811 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,1,0,0,0,0|1,2,0]=4 2812 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,1,0,0,0,0|2,0,1]=4 2813 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,1,0,0,0,0|2,0,1]=4 2814 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,0,0,0,0|1,0,1]=3 2815 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,0,0,0,0|1,0,1]=3 2816 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,0,0,0,0|1,0,1]=3 2817 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,0,0,0,0|1,0,1]=3 2818 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,0,0,0,0|1,0,1]=3 2819 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,0,0,0,0|1,0,1]=3 2820 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,1,0,0,0,0|2,0,1]=4 2821 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,0,0,0,0|1,1,1]=4 2822 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,0,0,0,0|1,1,1]=4 2823 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,0,0,0,0|1,1,1]=4 2824 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,1,0,0,0,0|1,1,1]=4 2825 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,1,0,0,0,0|1,1,1]=4 2826 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|2,0,1]=4 2827 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|2,0,1]=4 2828 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|2,0,1]=4 2829 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|1,0,1]=3 2830 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|1,0,1]=3 2831 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|1,0,1]=3 2832 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|1,0,1]=3 2833 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|1,0,1]=3 2834 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|1,1,1]=4 2835 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|1,1,1]=4 2836 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|1,1,1]=4 2837 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|1,1,1]=4 2838 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|1,1,1]=4 2839 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,0,0,0,0|2,0,1]=4 2840 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,0,0,0,0|2,0,1]=4 2841 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,0,0,0,0|2,0,1]=4 2842 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,0,0,0,0|2,0,1]=4 2843 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,1,0,0,0,0|1,0,1]=3 2844 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|0,1,1]=3 2845 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|0,1,1]=3 2846 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|0,1,1]=3 2847 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|0,1,1]=3 2848 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|0,1,1]=3 2849 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|0,1,1]=3 2850 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|0,2,1]=4 2851 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|0,2,1]=4 2852 B9R0.46 COC(C)COCCCF 34a_100000690652_100011934791 [0,1,0,0,0,0|2,0,0]=3 2853 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [0,1,0,0,0,0|2,0,0]=3 2854 B9R0.46 COC(C)COCCSC 34a_100000690652_100000212216 [0,1,0,0,0,0|0,1,0]=2 2855 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|1,0,1]=3 2856 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|1,0,1]=3 2857 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|1,0,1]=3 2858 B9R0.46 COCCCSC(C)OC 62a_100000709357_100009879195 [0,1,0,0,0,0|2,0,0]=3 2859 B9R0.46 COCCCSC(C)OC 62a_100009879195_100000709357 [0,1,0,0,0,0|2,0,0]=3 2860 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|1,0,1]=3 2861 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [0,1,0,0,0,0|3,0,0]=4 2862 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,1,0,0,0,0|3,0,0]=4 2863 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [0,1,0,0,0,0|3,0,0]=4 2864 B9R0.46 COCCNC[C@@H](C)OC 2230a_100020591295_100011201679 [0,1,0,0,0,0|1,0,0]=2 2865 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [0,1,0,0,0,0|3,0,0]=4 2866 B9R0.46 COCCNC[C@@H](O)CF 2230a_100000209980_100015614560 [0,1,0,0,0,0|3,0,0]=4 2867 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,1,0,0,0,0|3,0,0]=4 2868 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,1,0,0,0,0|3,0,0]=4 2869 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,1,0,0,0,0|2,0,1]=4 2870 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|0,0,1]=2 2871 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|0,0,1]=2 2872 B9R0.46 COCCOCC(C)CN 34a_100000744482_100011201679 [0,1,0,0,0,0|2,0,0]=3 2873 B9R0.46 COCCOCC(C)OC 34a_100000690652_100011201679 [0,1,0,0,0,0|0,0,0]=1 2874 B9R0.46 COCCOCC(Cl)CCl 34a_100000033668_100011201679 [0,1,0,0,0,0|2,0,0]=3 2875 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,1,0,0,0,0|2,0,0]=3 2876 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [0,1,0,0,0,0|2,0,0]=3 2877 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [0,1,0,0,0,0|2,0,0]=3 2878 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,1,0,0,0,0|2,0,0]=3 2879 B9R0.46 COCCOC[C@H](F)CN 34a_100015665980_100011201679 [0,1,0,0,0,0|2,0,0]=3 2880 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|0,1,1]=3 2881 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|0,1,1]=3 2882 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,1,0,0,0,0|2,1,0]=4 2883 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,1,0,0,0,0|2,1,0]=4 2884 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [0,1,0,0,0,0|2,1,0]=4 2885 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [0,1,0,0,0,0|2,1,0]=4 2886 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [0,1,0,0,0,0|2,1,0]=4 2887 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [0,1,0,0,0,0|2,1,0]=4 2888 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,1,0,0,0,0|2,1,0]=4 2889 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,1,0,0,0,0|2,1,0]=4 2890 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,0,0,0,0|2,0,1]=4 2891 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,0,0,0,0|2,0,1]=4 2892 B9R0.46 CO[C@H](C)CNCCC#N 2230a_100020591295_100011215226 [0,1,0,0,0,0|3,0,0]=4 2893 B9R0.46 CO[C@H](C)CNCCCF 2230a_100020591295_100011934791 [0,1,0,0,0,0|3,0,0]=4 2894 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [0,1,0,0,0,0|3,0,0]=4 2895 B9R0.46 CO[C@H](C)CNCCSC 2230a_100020591295_100000751147 [0,1,0,0,0,0|1,1,0]=3 2896 B9R0.46 CSCCOCC(C)CN 34a_100000744482_100000212216 [0,1,0,0,0,0|2,1,0]=4 2897 B9R0.46 CSCCOCC(Cl)CCl 34a_100000033668_100000212216 [0,1,0,0,0,0|2,1,0]=4 2898 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,1,0,0,0,0|2,1,0]=4 2899 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,1,0,0,0,0|2,1,0]=4 2900 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [0,1,0,0,0,0|2,1,0]=4 2901 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [0,1,0,0,0,0|2,1,0]=4 2902 B9R0.46 CSCCOC[C@@H](O)CF 34a_100000230434_100015614560 [0,1,0,0,0,0|2,1,0]=4 2903 B9R0.46 CSCCOC[C@@H](O)CF 7a_100000230434_100015614560 [0,1,0,0,0,0|2,1,0]=4 2904 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,1,0,0,0,0|2,1,0]=4 2905 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,1,0,0,0,0|2,1,0]=4 2906 B9R0.46 CSCCOC[C@H](F)CN 34a_100015665980_100000212216 [0,1,0,0,0,0|2,1,0]=4 2907 B9R0.46 C[C@@H](CO)COCCON 34a_100000700252_100000059175 [0,1,0,0,0,0|3,0,0]=4 2908 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [0,1,0,0,0,0|3,0,0]=4 2909 B9R0.46 NOCCOC[C@@H](O)CF 34a_100000700252_100015614560 [0,1,0,0,0,0|3,0,0]=4 2910 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [0,1,0,0,0,0|3,0,0]=4 2911 B9R1.4 CCN1CCC1COC 2230a_100015195929_100000210202 [0,0,0,1,0,0|3,0,0]=4 2912 B9R1.4 CCN1CCC1COC 269982a_100015195929_100000204670 [0,0,0,1,0,0|3,0,0]=4 2913 B9R1.4 CCN1CCC1COC 34a_100015195929_100000210202 [0,0,0,1,0,0|3,0,0]=4 2914 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [0,0,0,1,0,0|3,0,0]=4 2915 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [0,0,0,1,0,0|3,0,0]=4 2916 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [0,0,0,1,0,0|3,0,0]=4 2917 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,0,0,1,0,0|3,0,0]=4 2918 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,0,0,1,0,0|3,0,0]=4 2919 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,0,0,1,0,0|3,0,0]=4 2920 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,0,0,1,0,0|3,0,0]=4 2921 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,0,0,1,0,0|3,0,0]=4 2922 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,0,0,1,0,0|3,0,0]=4 2923 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,0,0,1,0,0|3,0,0]=4 2924 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,0,0,1,0,0|3,0,0]=4 2925 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,0,0,1,0,0|3,0,0]=4 2926 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,0,0,1,0,0|3,0,0]=4 2927 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,0,0,1,0,0|3,0,0]=4 2928 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,0,0,1,0,0|3,0,0]=4 2929 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,0,0,1,0,0|3,0,0]=4 2930 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,0,0,1,0,0|2,0,0]=3 2931 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,0,0,1,0,0|2,0,0]=3 2932 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,0,0,1,0,0|2,0,0]=3 2933 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,0,0,1,0,0|2,0,0]=3 2934 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,0,0,1,0,0|2,0,0]=3 2935 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [0,0,0,1,0,0|2,0,0]=3 2936 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [0,0,0,1,0,0|2,0,0]=3 2937 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [0,0,0,1,0,0|2,0,0]=3 2938 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [0,0,0,1,0,0|2,0,0]=3 2939 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [0,0,0,1,0,0|2,0,0]=3 2940 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [0,0,0,1,0,0|1,0,0]=2 2941 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [0,0,0,1,0,0|1,0,0]=2 2942 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [0,0,0,1,0,0|2,0,1]=4 2943 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,0,0,1,0,0|1,0,2]=4 2944 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,0,0,1,0,0|2,0,0]=3 2945 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,0,0,1,0,0|2,0,0]=3 2946 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,0,0,1,0,0|2,0,0]=3 2947 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,0,0,1,0,0|2,0,0]=3 2948 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,0,0,1,0,0|1,0,0]=2 2949 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,0,0,1,0,0|1,0,0]=2 2950 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,0,0,1,0,0|1,0,0]=2 2951 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,0,0,1,0,0|2,0,0]=3 2952 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,0,0,1,0,0|1,0,0]=2 2953 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,0,0,1,0,0|1,0,0]=2 2954 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,0,0,1,0,0|3,0,0]=4 2955 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,0,0,1,0,0|3,0,0]=4 2956 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,0,0,1,0,0|3,0,0]=4 2957 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,0,0,1,0,0|3,0,0]=4 2958 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,0,0,1,0,0|3,0,0]=4 2959 B9R1.8 COCN1CCCOC1 2230a_100000131196_100000766300 [0,0,0,1,0,0|2,0,0]=3 2960 B9R1.8 COCN1CCCOC1 269982a_100000131196_100000766300 [0,0,0,1,0,0|2,0,0]=3 2961 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [0,0,0,1,0,0|1,0,0]=2 2962 B9R1.8 COC[C@@H]1COCCN1 34a_100000717676_200000210301 [0,0,0,1,0,0|1,0,0]=2 2963 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [0,0,0,1,0,0|0,0,0]=1 2964 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,0,0,1,0,0|2,1,0]=4 2965 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,0,0,1,0,0|2,1,0]=4 2966 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,0,0,1,0,0|1,1,0]=3 2967 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,0,0,1,0,0|1,1,0]=3 2968 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,0,0,1,0,0|1,1,0]=3 2969 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,0,0,1,0,0|1,1,0]=3 2970 B9R1.8 CSCN1CCCOC1 2230a_100000131196_100011218213 [0,0,0,1,0,0|2,1,0]=4 2971 B9R1.8 CSCN1CCCOC1 269982a_100000131196_100011218213 [0,0,0,1,0,0|2,1,0]=4 2972 B9R1.8 CSCN1CCCOC1 34a_100000131196_100011218213 [0,0,0,1,0,0|2,1,0]=4 2973 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,0,0,1,0,0|3,0,0]=4 2974 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,0,0,1,0,0|3,0,0]=4 2975 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,0,0,1,0,0|2,0,0]=3 2976 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,0,0,1,0,0|2,0,0]=3 2977 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [0,0,0,1,0,0|2,0,0]=3 2978 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [0,0,0,1,0,0|2,0,0]=3 2979 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [0,0,0,1,0,0|1,0,0]=2 2980 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [0,0,0,1,0,0|1,0,0]=2 2981 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [0,0,0,1,0,0|2,0,1]=4 2982 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,0,0,1,0,0|1,0,2]=4 2983 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,0,0,1,0,0|2,0,0]=3 2984 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,0,0,1,0,0|2,0,0]=3 2985 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,0,0,1,0,0|2,0,0]=3 2986 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,0,0,1,0,0|1,0,0]=2 2987 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,0,0,1,0,0|1,0,0]=2 2988 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,0,0,1,0,0|2,0,0]=3 2989 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,0,0,1,0,0|1,0,0]=2 2990 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,0,0,1,0,0|3,0,0]=4 2991 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,0,0,1,0,0|3,0,0]=4 2992 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,0,0,1,0,0|3,0,0]=4 2993 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,0,0,1,0,0|3,0,0]=4 2994 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [0,0,0,1,0,0|1,0,0]=2 2995 B9R1.8 [13CH3]OC[C@@H]1COCCN1 34a_100000717676_200025704644 [0,0,0,1,0,0|1,0,0]=2 2996 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [0,0,0,1,0,0|0,0,0]=1 2997 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,0,0,1,0,0|2,1,0]=4 2998 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,0,0,1,0,0|2,1,0]=4 2999 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,0,0,1,0,0|1,1,0]=3 3000 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,0,0,1,0,0|1,1,0]=3 3001 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,0,0,1,0,0|1,1,0]=3 3002 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,0,0,1,0,0|1,1,0]=3 3003 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [0,0,0,1,0,0|3,0,0]=4 3004 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [0,0,0,1,0,0|3,0,0]=4 3005 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [0,0,0,1,0,0|2,1,0]=4 3006 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [0,0,0,1,0,0|2,1,0]=4 3007 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [0,0,0,1,0,0|3,0,0]=4 3008 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [0,0,0,1,0,0|3,0,0]=4 3009 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [0,0,0,1,0,0|3,0,0]=4 3010 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [0,0,0,1,0,0|3,0,0]=4 3011 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [0,0,0,1,0,0|3,0,0]=4 3012 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [0,0,0,1,0,0|3,0,0]=4 3013 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [0,0,0,1,0,0|3,0,0]=4 3014 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [0,0,0,1,0,0|3,0,0]=4 3015 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [0,0,0,1,0,0|3,0,0]=4 3016 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [0,0,0,1,0,0|3,0,0]=4 3017 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [0,0,0,1,0,0|3,0,0]=4 3018 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [0,0,0,1,0,0|3,0,0]=4 3019 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [0,0,0,1,0,0|3,0,0]=4 3020 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [0,0,0,1,0,0|3,0,0]=4 3021 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [0,0,0,1,0,0|3,0,0]=4 3022 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [0,0,0,1,0,0|3,0,0]=4 3023 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [0,0,0,1,0,0|3,0,0]=4 3024 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [0,0,0,1,0,0|3,0,0]=4 3025 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [0,0,0,1,0,0|3,0,0]=4 3026 B9R1.12 CNCCN1CCCC1 7a_106832991635_100000004467 [0,0,0,1,0,0|3,0,0]=4 3027 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [0,0,0,1,0,0|2,0,0]=3 3028 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [0,0,0,1,0,0|2,0,0]=3 3029 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [0,0,0,1,0,0|2,0,0]=3 3030 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [0,0,0,1,0,0|2,0,0]=3 3031 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [0,0,0,1,0,0|1,0,0]=2 3032 B9R1.12 COCCN1CC=CC1 269982a_100015195280_100000233755 [0,0,0,1,0,0|2,0,1]=4 3033 B9R1.12 COCCN1CCCC1 2230a_100000188435_100011201679 [0,0,0,1,0,0|2,0,0]=3 3034 B9R1.12 COCCN1CCCC1 269982a_100000188435_100000233755 [0,0,0,1,0,0|2,0,0]=3 3035 B9R1.12 COCCN1CCSC1 2230a_100011215254_100011201679 [0,0,0,1,0,0|1,1,0]=3 3036 B9R1.12 COCCN1CCSC1 269982a_100011215254_100000233755 [0,0,0,1,0,0|1,1,0]=3 3037 B9R1.12 COCNC1CCCC1 2230a_100000211070_100000766300 [0,0,0,1,0,0|3,0,0]=4 3038 B9R1.12 COCN[C@@H]1CCOC1 2230a_200015188469_100000766300 [0,0,0,1,0,0|2,0,0]=3 3039 B9R1.12 COCN[C@H]1CCOC1 2230a_100015188467_100000766300 [0,0,0,1,0,0|2,0,0]=3 3040 B9R1.12 COCSC1CCCC1 62a_100000766300_100000179811 [0,0,0,1,0,0|3,0,0]=4 3041 B9R1.12 COCSC1CCCC1 62a_100011217020_100000766300 [0,0,0,1,0,0|3,0,0]=4 3042 B9R1.12 COCSC1CCOC1 62a_100000766300_100000690089 [0,0,0,1,0,0|2,0,0]=3 3043 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,0,0,1,0,0|2,1,0]=4 3044 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,0,0,1,0,0|2,1,0]=4 3045 B9R1.12 CSCCN1CCCC1 2230a_100000188435_100000751147 [0,0,0,1,0,0|2,1,0]=4 3046 B9R1.12 CSCCN1CCCC1 269982a_100000188435_100000212216 [0,0,0,1,0,0|2,1,0]=4 3047 B9R1.12 CSCCN1CCCC1 62a_100000700749_200000210301 [0,0,0,1,0,0|2,1,0]=4 3048 B9R1.12 CSCCN1CCCC1 62a_200000210301_100000004467 [0,0,0,1,0,0|2,1,0]=4 3049 B9R1.12 CSCCN1CCSC1 2230a_100011215254_100000751147 [0,0,0,1,0,0|1,2,0]=4 3050 B9R1.12 CSCCN1CCSC1 269982a_100011215254_100000212216 [0,0,0,1,0,0|1,2,0]=4 3051 B9R1.12 CSCN[C@@H]1CCOC1 2230a_200015188469_100011218213 [0,0,0,1,0,0|2,1,0]=4 3052 B9R1.12 CSCN[C@H]1CCOC1 2230a_100015188467_100011218213 [0,0,0,1,0,0|2,1,0]=4 3053 B9R1.12 CSCN[C@H]1CCOC1 34a_100015188467_100011218213 [0,0,0,1,0,0|2,1,0]=4 3054 B9R1.12 CSCO[C@H]1CCOC1 34a_100000717292_100011218213 [0,0,0,1,0,0|2,1,0]=4 3055 B9R1.12 CSCSC1CCOC1 62a_100011218213_100000690089 [0,0,0,1,0,0|2,1,0]=4 3056 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [0,0,0,1,0,0|3,0,0]=4 3057 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [0,0,0,1,0,0|3,0,0]=4 3058 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [0,0,0,1,0,0|2,0,0]=3 3059 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [0,0,0,1,0,0|2,0,0]=3 3060 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [0,0,0,1,0,0|2,0,0]=3 3061 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [0,0,0,1,0,0|1,0,0]=2 3062 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,0,0,1,0,0|2,1,0]=4 3063 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,0,0,1,0,0|2,1,0]=4 3064 B9R1.12 [13CH3]SCCN1CCCC1 62a_100000700749_200025704644 [0,0,0,1,0,0|2,1,0]=4 3065 B9R1.12 [13CH3]SCCN1CCCC1 62a_200025704644_100000004467 [0,0,0,1,0,0|2,1,0]=4 3066 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [0,0,0,1,0,0|3,0,0]=4 3067 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [0,0,0,1,0,0|3,0,0]=4 3068 B9R1.14 CO[C@@H]1CCC[C@H]1C#N 34a_100011907464_200000210301 [0,0,0,1,0,0|3,0,0]=4 3069 B9R1.14 CO[C@@H]1CCC[C@H]1C#N 7a_100011907464_200000210301 [0,0,0,1,0,0|3,0,0]=4 3070 B9R1.14 [13CH3]O[C@@H]1CCC[C@H]1C#N 34a_100011907464_200025704644 [0,0,0,1,0,0|3,0,0]=4 3071 B9R1.14 [13CH3]O[C@@H]1CCC[C@H]1C#N 7a_100011907464_200025704644 [0,0,0,1,0,0|3,0,0]=4 3072 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,0,0,1,0,0|3,0,0]=4 3073 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,0,0,1,0,0|3,0,0]=4 3074 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,0,0,1,0,0|2,0,0]=3 3075 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,0,0,1,0,0|2,0,0]=3 3076 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [0,0,0,1,0,0|2,0,0]=3 3077 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [0,0,0,1,0,0|3,0,0]=4 3078 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 3079 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 3080 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 3081 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 3082 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 3083 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 3084 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [0,0,0,1,0,0|2,0,0]=3 3085 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [0,0,0,1,0,0|2,0,0]=3 3086 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [0,0,0,1,0,0|2,0,0]=3 3087 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [0,0,0,1,0,0|2,0,0]=3 3088 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [0,0,0,1,0,0|2,0,0]=3 3089 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [0,0,0,1,0,0|2,0,0]=3 3090 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [0,0,0,1,0,0|3,0,0]=4 3091 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [0,0,0,1,0,0|3,0,0]=4 3092 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [0,0,0,1,0,0|3,0,0]=4 3093 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,0,0,1,0,0|3,0,0]=4 3094 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,0,0,1,0,0|3,0,0]=4 3095 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,0,0,1,0,0|3,0,0]=4 3096 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,0,0,1,0,0|3,0,0]=4 3097 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,0,0,1,0,0|3,0,0]=4 3098 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,0,0,1,0,0|3,0,0]=4 3099 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [0,0,0,1,0,0|3,0,0]=4 3100 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,0,0,1,0,0|3,0,0]=4 3101 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,0,0,1,0,0|3,0,0]=4 3102 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,0,0,1,0,0|2,0,0]=3 3103 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,0,0,1,0,0|2,0,0]=3 3104 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,0,0,1,0,0|3,0,0]=4 3105 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,0,0,1,0,0|3,0,0]=4 3106 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,0,0,1,0,0|3,0,0]=4 3107 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,0,0,1,0,0|3,0,0]=4 3108 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [0,0,0,1,0,0|3,0,0]=4 3109 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [0,0,0,1,0,0|2,0,0]=3 3110 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,0,0,1,0,0|2,0,0]=3 3111 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,0,0,1,0,0|3,0,0]=4 3112 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,0,0,1,0,0|3,0,0]=4 3113 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,0,0,1,0,0|3,0,0]=4 3114 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [0,0,0,1,0,0|2,0,0]=3 3115 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,0,0,1,0,0|2,1,0]=4 3116 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,0,0,1,0,0|2,1,0]=4 3117 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [0,0,0,1,0,0|3,0,0]=4 3118 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [0,0,0,1,0,0|3,0,0]=4 3119 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [0,0,0,1,0,0|3,0,0]=4 3120 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [0,0,0,1,0,0|3,0,0]=4 3121 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,0,0,1,0,0|3,0,0]=4 3122 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,0,0,1,0,0|3,0,0]=4 3123 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,0,0,1,0,0|3,0,0]=4 3124 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,0,0,1,0,0|3,0,0]=4 3125 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,0,0,1,0,0|3,0,0]=4 3126 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,0,0,1,0,0|3,0,0]=4 3127 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [0,0,0,1,0,0|2,0,0]=3 3128 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,0,0,1,0,0|2,1,0]=4 3129 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,0,0,1,0,0|2,1,0]=4 3130 B9R1.16 COCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011201679 [0,0,0,1,0,0|3,0,0]=4 3131 B9R1.16 COCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011201679 [0,0,0,1,0,0|3,0,0]=4 3132 B9R1.16 COCCN[C@@H]1C[C@H]1F 34a_100025746932_100011201679 [0,0,0,1,0,0|3,0,0]=4 3133 B9R1.17 BrCCCOC1CCC1 34a_100011217188_100000749161 [0,0,0,1,0,0|3,0,0]=4 3134 B9R1.17 BrCCCOC1COC1 34a_100011217188_100009818527 [0,0,0,1,0,0|2,0,0]=3 3135 B9R1.17 C#CCCNC1COC1 2230a_100016991112_100000688953 [0,0,0,1,0,0|2,0,1]=4 3136 B9R1.17 C#CCCNC1COC1 34a_100000755551_100009818527 [0,0,0,1,0,0|2,0,1]=4 3137 B9R1.17 C#CCCOC1CCC1 34a_100000748187_100000688953 [0,0,0,1,0,0|2,0,1]=4 3138 B9R1.17 C#CCCOC1CCC1 34a_100011215631_100000749161 [0,0,0,1,0,0|2,0,1]=4 3139 B9R1.17 C#CCCOC1COC1 34a_100011215631_100009818527 [0,0,0,1,0,0|1,0,1]=3 3140 B9R1.17 C#CCCOC1CSC1 7a_100000072292_100000688953 [0,0,0,1,0,0|1,1,1]=4 3141 B9R1.17 C#CCCSC1COC1 62a_100000688953_100009818527 [0,0,0,1,0,0|1,1,1]=4 3142 B9R1.17 C/C=C/COC1CCC1 34a_100000748187_100102629194 [0,0,0,1,0,0|2,0,1]=4 3143 B9R1.17 C/C=C/COC1CCC1 34a_100016270725_100000749161 [0,0,0,1,0,0|2,0,1]=4 3144 B9R1.17 C/C=C/COC1COC1 34a_100016270725_100009818527 [0,0,0,1,0,0|1,0,1]=3 3145 B9R1.17 C/C=C/COC1CSC1 7a_100000072292_100102629194 [0,0,0,1,0,0|1,1,1]=4 3146 B9R1.17 C/C=C/CSC1COC1 62a_100102629194_100009818527 [0,0,0,1,0,0|1,1,1]=4 3147 B9R1.17 C=CCCNC1COC1 2230a_100016991112_100000754431 [0,0,0,1,0,0|2,0,1]=4 3148 B9R1.17 C=CCCOC1CCC1 34a_100000748187_100000754431 [0,0,0,1,0,0|2,0,1]=4 3149 B9R1.17 C=CCCOC1CCC1 34a_100011205117_100000749161 [0,0,0,1,0,0|2,0,1]=4 3150 B9R1.17 C=CCCOC1COC1 34a_100011205117_100009818527 [0,0,0,1,0,0|1,0,1]=3 3151 B9R1.17 C=CCCOC1CSC1 7a_100000072292_100000754431 [0,0,0,1,0,0|1,1,1]=4 3152 B9R1.17 C=CCCSC1COC1 62a_100000754431_100009818527 [0,0,0,1,0,0|1,1,1]=4 3153 B9R1.17 CC#CCNC1COC1 2230a_100016991112_100000748600 [0,0,0,1,0,0|2,0,1]=4 3154 B9R1.17 CC#CCNC1COC1 34a_100000685387_100009818527 [0,0,0,1,0,0|2,0,1]=4 3155 B9R1.17 CC#CCOC1CCC1 34a_100000748187_100000748600 [0,0,0,1,0,0|2,0,1]=4 3156 B9R1.17 CC#CCOC1CCC1 34a_100000761923_100000749161 [0,0,0,1,0,0|2,0,1]=4 3157 B9R1.17 CC#CCOC1COC1 34a_100000761923_100009818527 [0,0,0,1,0,0|1,0,1]=3 3158 B9R1.17 CC#CCOC1CSC1 7a_100000072292_100000748600 [0,0,0,1,0,0|1,1,1]=4 3159 B9R1.17 CC#CCSC1COC1 62a_100000748600_100009818527 [0,0,0,1,0,0|1,1,1]=4 3160 B9R1.17 CC=CCNC1COC1 2230a_100016991112_100000070051 [0,0,0,1,0,0|2,0,1]=4 3161 B9R1.17 CC=CCOC1CCC1 34a_100000748187_100000070051 [0,0,0,1,0,0|2,0,1]=4 3162 B9R1.17 CC=CCOC1CSC1 7a_100000072292_100000070051 [0,0,0,1,0,0|1,1,1]=4 3163 B9R1.17 CC=CCSC1COC1 62a_100000070051_100009818527 [0,0,0,1,0,0|1,1,1]=4 3164 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [0,0,0,1,0,0|3,0,0]=4 3165 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [0,0,0,1,0,0|3,0,0]=4 3166 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [0,0,0,1,0,0|3,0,0]=4 3167 B9R1.17 CCCCNC1COC1 2230a_100016991112_100000210211 [0,0,0,1,0,0|2,0,0]=3 3168 B9R1.17 CCCCNC1COC1 7a_106832991798_100009818527 [0,0,0,1,0,0|2,0,0]=3 3169 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [0,0,0,1,0,0|2,0,0]=3 3170 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [0,0,0,1,0,0|2,0,0]=3 3171 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [0,0,0,1,0,0|1,0,0]=2 3172 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [0,0,0,1,0,0|1,0,0]=2 3173 B9R1.17 CCCCOC1CSC1 7a_100000072292_100000210211 [0,0,0,1,0,0|1,1,0]=3 3174 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [0,0,0,1,0,0|2,1,0]=4 3175 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [0,0,0,1,0,0|1,1,0]=3 3176 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [0,0,0,1,0,0|3,0,0]=4 3177 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [0,0,0,1,0,0|3,0,0]=4 3178 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [0,0,0,1,0,0|3,0,0]=4 3179 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [0,0,0,1,0,0|3,0,0]=4 3180 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [0,0,0,1,0,0|3,0,0]=4 3181 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [0,0,0,1,0,0|3,0,0]=4 3182 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [0,0,0,1,0,0|3,0,0]=4 3183 B9R1.17 CCOCSC1COC1 62a_100000739092_100009818527 [0,0,0,1,0,0|2,1,0]=4 3184 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [0,0,0,1,0,0|3,0,0]=4 3185 B9R1.17 COCCNC1CCC1 2230a_100000749019_100011201679 [0,0,0,1,0,0|2,0,0]=3 3186 B9R1.17 COCCNC1CCC1 270004a_100000209980_100000241760 [0,0,0,1,0,0|2,0,0]=3 3187 B9R1.17 COCCNC1CCC1 34a_100000749019_100011201679 [0,0,0,1,0,0|2,0,0]=3 3188 B9R1.17 COCCNC1COC1 2230a_100016991112_100011201679 [0,0,0,1,0,0|1,0,0]=2 3189 B9R1.17 COCCOC1CCC1 34a_100000210237_100000749161 [0,0,0,1,0,0|1,0,0]=2 3190 B9R1.17 COCCOC1CCC1 34a_100000748187_100011201679 [0,0,0,1,0,0|1,0,0]=2 3191 B9R1.17 COCCOC1COC1 34a_100000210237_100009818527 [0,0,0,1,0,0|0,0,0]=1 3192 B9R1.17 COCCOC1CSC1 7a_100000072292_100000233755 [0,0,0,1,0,0|0,1,0]=2 3193 B9R1.17 COCCSC1CCC1 62a_100000233755_100000749161 [0,0,0,1,0,0|1,1,0]=3 3194 B9R1.17 COCCSC1COC1 62a_100000233755_100009818527 [0,0,0,1,0,0|0,1,0]=2 3195 B9R1.17 COCNCC1CCC1 2230a_100000738700_100000766300 [0,0,0,1,0,0|3,0,0]=4 3196 B9R1.17 COCNCC1COC1 2230a_100015281925_100000766300 [0,0,0,1,0,0|2,0,0]=3 3197 B9R1.17 COCSCC1CCC1 62a_100000763275_100000766300 [0,0,0,1,0,0|3,0,0]=4 3198 B9R1.17 COCSCC1CCC1 62a_100000766300_100000763275 [0,0,0,1,0,0|3,0,0]=4 3199 B9R1.17 COCSCC1COC1 62a_100000766300_100010264016 [0,0,0,1,0,0|2,0,0]=3 3200 B9R1.17 COCSCC1COC1 62a_100010264016_100000766300 [0,0,0,1,0,0|2,0,0]=3 3201 B9R1.17 CSCCNC1CCC1 2230a_100000749019_100000751147 [0,0,0,1,0,0|2,1,0]=4 3202 B9R1.17 CSCCNC1CCC1 270004a_100020590264_100000241760 [0,0,0,1,0,0|2,1,0]=4 3203 B9R1.17 CSCCNC1CCC1 34a_100000749019_100000212216 [0,0,0,1,0,0|2,1,0]=4 3204 B9R1.17 CSCCNC1COC1 2230a_100016991112_100000751147 [0,0,0,1,0,0|1,1,0]=3 3205 B9R1.17 CSCCOC1CCC1 34a_100000230434_100000749161 [0,0,0,1,0,0|1,1,0]=3 3206 B9R1.17 CSCCOC1CCC1 34a_100000748187_100000212216 [0,0,0,1,0,0|1,1,0]=3 3207 B9R1.17 CSCCOC1COC1 34a_100000230434_100009818527 [0,0,0,1,0,0|0,1,0]=2 3208 B9R1.17 CSCCOC1COC1 7a_100000230434_100009818527 [0,0,0,1,0,0|0,1,0]=2 3209 B9R1.17 CSCCOC1CSC1 7a_100000072292_100000212216 [0,0,0,1,0,0|0,2,0]=3 3210 B9R1.17 CSCCSC1CCC1 62a_100000212216_100000749161 [0,0,0,1,0,0|1,2,0]=4 3211 B9R1.17 CSCCSC1COC1 62a_100000212216_100009818527 [0,0,0,1,0,0|0,2,0]=3 3212 B9R1.17 CSCNCC1COC1 2230a_100015281925_100011218213 [0,0,0,1,0,0|2,1,0]=4 3213 B9R1.17 CSCNCC1COC1 34a_100015281925_100011218213 [0,0,0,1,0,0|2,1,0]=4 3214 B9R1.17 CSCOCC1COC1 34a_100000060846_100011218213 [0,0,0,1,0,0|2,1,0]=4 3215 B9R1.17 CSCSCC1COC1 62a_100010264016_100011218213 [0,0,0,1,0,0|2,1,0]=4 3216 B9R1.17 CSCSCC1COC1 62a_100011218213_100010264016 [0,0,0,1,0,0|2,1,0]=4 3217 B9R1.17 ClCCCOC1CCC1 34a_100000230001_100000749161 [0,0,0,1,0,0|3,0,0]=4 3218 B9R1.17 ClCCCOC1COC1 34a_100000230001_100009818527 [0,0,0,1,0,0|2,0,0]=3 3219 B9R1.17 FCCCNC1COC1 2230a_100016991112_100011934791 [0,0,0,1,0,0|3,0,0]=4 3220 B9R1.17 FCCCNC1COC1 34a_100015189416_100009818527 [0,0,0,1,0,0|3,0,0]=4 3221 B9R1.17 FCCCOC1CCC1 34a_100000748187_100011934791 [0,0,0,1,0,0|3,0,0]=4 3222 B9R1.17 FCCCOC1CCC1 34a_100000759539_100000749161 [0,0,0,1,0,0|3,0,0]=4 3223 B9R1.17 FCCCOC1COC1 34a_100000759539_100009818527 [0,0,0,1,0,0|2,0,0]=3 3224 B9R1.17 FCCCOC1CSC1 7a_100000072292_100011934791 [0,0,0,1,0,0|2,1,0]=4 3225 B9R1.17 FCCCSC1COC1 62a_100011934791_100009818527 [0,0,0,1,0,0|2,1,0]=4 3226 B9R1.17 N#CCCNC1COC1 2230a_100016991112_100011215226 [0,0,0,1,0,0|3,0,0]=4 3227 B9R1.17 N#CCCOC1CSC1 7a_100000072292_100000184422 [0,0,0,1,0,0|2,1,0]=4 3228 B9R1.17 N#CCCSC1COC1 62a_100011215226_100009818527 [0,0,0,1,0,0|2,1,0]=4 3229 B9R1.17 NCCCOC1CCC1 34a_100000182051_100000749161 [0,0,0,1,0,0|3,0,0]=4 3230 B9R1.17 NCCCOC1COC1 34a_100000182051_100009818527 [0,0,0,1,0,0|2,0,0]=3 3231 B9R1.17 NOCCOC1CCC1 34a_100000700252_100000749161 [0,0,0,1,0,0|2,0,0]=3 3232 B9R1.17 NOCCOC1COC1 34a_100000700252_100009818527 [0,0,0,1,0,0|1,0,0]=2 3233 B9R1.17 OCCCNC1COC1 2230a_100016991112_100000230001 [0,0,0,1,0,0|3,0,0]=4 3234 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [0,0,0,1,0,0|3,0,0]=4 3235 B9R1.17 OCCCOC1CSC1 7a_100000072292_100011215043 [0,0,0,1,0,0|2,1,0]=4 3236 B9R1.17 OCCCSC1COC1 62a_100011215043_100009818527 [0,0,0,1,0,0|2,1,0]=4 3237 B9R1.33 CN1CCCC1CO[13CH3] 34a_100000743107_200025704644 [0,0,0,1,0,0|2,0,0]=3 3238 B9R1.33 COCC1CCCN1C 34a_100000743107_200000210301 [0,0,0,1,0,0|2,0,0]=3 3239 B9R1.33 COCN1CCC[C@@H]1C 2230a_100020605311_100000766300 [0,0,0,1,0,0|3,0,0]=4 3240 B9R1.33 COCN1CCC[C@@H]1C 269982a_100020605311_100000766300 [0,0,0,1,0,0|3,0,0]=4 3241 B9R1.33 COCN1CCC[C@H]1C 2230a_100015189458_100000766300 [0,0,0,1,0,0|3,0,0]=4 3242 B9R1.33 COCN1CCC[C@H]1C 269982a_100015189458_100000766300 [0,0,0,1,0,0|3,0,0]=4 3243 B9R1.33 COC[C@@H]1CCCN1C 2230a_100020646714_200000210301 [0,0,0,1,0,0|2,0,0]=3 3244 B9R1.33 COC[C@@H]1CCCN1C 269982a_100020646714_200000210301 [0,0,0,1,0,0|2,0,0]=3 3245 B9R1.33 COC[C@@H]1CCCN1C 34a_100020646714_200000210301 [0,0,0,1,0,0|2,0,0]=3 3246 B9R1.33 COC[C@@H]1CCCN1[13CH3] 2230a_100020646714_200025704644 [0,0,0,1,0,0|2,0,0]=3 3247 B9R1.33 COC[C@@H]1CCCN1[13CH3] 269982a_100020646714_200025704644 [0,0,0,1,0,0|2,0,0]=3 3248 B9R1.33 COC[C@@H]1CCCN1[13CH3] 34a_100020646714_200025704644 [0,0,0,1,0,0|2,0,0]=3 3249 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,0,0,1,0,0|3,0,0]=4 3250 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,0,0,1,0,0|3,0,0]=4 3251 B9R1.39 COCCN1CCC1C 269982a_100000755817_100000233755 [0,0,0,1,0,0|2,0,0]=3 3252 B9R1.39 COCCN1CCC1C 34a_100000755817_100011201679 [0,0,0,1,0,0|2,0,0]=3 3253 B9R1.39 CSCCN1CCC1C 269982a_100000755817_100000212216 [0,0,0,1,0,0|2,1,0]=4 3254 B9R1.39 CSCCN1CCC1C 34a_100000755817_100000212216 [0,0,0,1,0,0|2,1,0]=4 3255 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 3256 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 3257 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 3258 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 3259 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 3260 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 3261 B9R1.83 BrCCCOCC1CC1 34a_100011217188_100000742324 [0,0,0,1,0,0|3,0,0]=4 3262 B9R1.83 BrCCCOCC1CO1 34a_100011217188_102125554688 [0,0,0,1,0,0|2,0,0]=3 3263 B9R1.83 C#CCCNCC1CO1 34a_100000755551_102125554688 [0,0,0,1,0,0|2,0,1]=4 3264 B9R1.83 C#CCCOCC1CC1 34a_100000211283_100000688953 [0,0,0,1,0,0|2,0,1]=4 3265 B9R1.83 C#CCCOCC1CC1 34a_100011215631_100000742324 [0,0,0,1,0,0|2,0,1]=4 3266 B9R1.83 C#CCCOCC1CO1 34a_100011215631_102125554688 [0,0,0,1,0,0|1,0,1]=3 3267 B9R1.83 C#CCCOC[C@@H]1CO1 34a_100000757423_100000688953 [0,0,0,1,0,0|1,0,1]=3 3268 B9R1.83 C#CCCSCC1CO1 62a_100000688953_102125554688 [0,0,0,1,0,0|1,1,1]=4 3269 B9R1.83 C#CCCSCC1CO1 62a_102125554688_100000688953 [0,0,0,1,0,0|1,1,1]=4 3270 B9R1.83 C#CCCSC[C@@H]1CO1 62a_100000688953_100000745022 [0,0,0,1,0,0|1,1,1]=4 3271 B9R1.83 C#CCCSC[C@@H]1CO1 62a_100000745022_100000688953 [0,0,0,1,0,0|1,1,1]=4 3272 B9R1.83 C/C=C/COCC1CC1 34a_100000211283_100102629194 [0,0,0,1,0,0|2,0,1]=4 3273 B9R1.83 C/C=C/COCC1CC1 34a_100016270725_100000742324 [0,0,0,1,0,0|2,0,1]=4 3274 B9R1.83 C/C=C/COCC1CO1 34a_100016270725_102125554688 [0,0,0,1,0,0|1,0,1]=3 3275 B9R1.83 C/C=C/COC[C@@H]1CO1 34a_100000757423_100102629194 [0,0,0,1,0,0|1,0,1]=3 3276 B9R1.83 C/C=C/CSCC1CO1 62a_100102629194_102125554688 [0,0,0,1,0,0|1,1,1]=4 3277 B9R1.83 C/C=C/CSCC1CO1 62a_102125554688_100102629194 [0,0,0,1,0,0|1,1,1]=4 3278 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100000745022_100102629194 [0,0,0,1,0,0|1,1,1]=4 3279 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100102629194_100000745022 [0,0,0,1,0,0|1,1,1]=4 3280 B9R1.83 C=CCCNCC1CO1 2230a_100015191253_100011216344 [0,0,0,1,0,0|2,0,1]=4 3281 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [0,0,0,1,0,0|2,0,1]=4 3282 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [0,0,0,1,0,0|2,0,1]=4 3283 B9R1.83 C=CCCOCC1CO1 34a_100011205117_102125554688 [0,0,0,1,0,0|1,0,1]=3 3284 B9R1.83 C=CCCOC[C@@H]1CO1 34a_100000757423_100000754431 [0,0,0,1,0,0|1,0,1]=3 3285 B9R1.83 C=CCCSCC1CO1 62a_100000754431_102125554688 [0,0,0,1,0,0|1,1,1]=4 3286 B9R1.83 C=CCCSCC1CO1 62a_102125554688_100000754431 [0,0,0,1,0,0|1,1,1]=4 3287 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000745022_100000754431 [0,0,0,1,0,0|1,1,1]=4 3288 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000754431_100000745022 [0,0,0,1,0,0|1,1,1]=4 3289 B9R1.83 CC#CCNCC1CO1 2230a_100000685387_100011216344 [0,0,0,1,0,0|2,0,1]=4 3290 B9R1.83 CC#CCNCC1CO1 34a_100000685387_102125554688 [0,0,0,1,0,0|2,0,1]=4 3291 B9R1.83 CC#CCOCC1CC1 34a_100000211283_100000748600 [0,0,0,1,0,0|2,0,1]=4 3292 B9R1.83 CC#CCOCC1CC1 34a_100000761923_100000742324 [0,0,0,1,0,0|2,0,1]=4 3293 B9R1.83 CC#CCOCC1CO1 34a_100000761923_102125554688 [0,0,0,1,0,0|1,0,1]=3 3294 B9R1.83 CC#CCOC[C@@H]1CO1 34a_100000757423_100000748600 [0,0,0,1,0,0|1,0,1]=3 3295 B9R1.83 CC#CCSCC1CO1 62a_100000748600_102125554688 [0,0,0,1,0,0|1,1,1]=4 3296 B9R1.83 CC#CCSCC1CO1 62a_102125554688_100000748600 [0,0,0,1,0,0|1,1,1]=4 3297 B9R1.83 CC#CCSC[C@@H]1CO1 62a_100000745022_100000748600 [0,0,0,1,0,0|1,1,1]=4 3298 B9R1.83 CC#CCSC[C@@H]1CO1 62a_100000748600_100000745022 [0,0,0,1,0,0|1,1,1]=4 3299 B9R1.83 CC=CCOCC1CC1 34a_100000211283_100000070051 [0,0,0,1,0,0|2,0,1]=4 3300 B9R1.83 CC=CCOC[C@@H]1CO1 34a_100000757423_100000070051 [0,0,0,1,0,0|1,0,1]=3 3301 B9R1.83 CC=CCSCC1CO1 62a_100000070051_102125554688 [0,0,0,1,0,0|1,1,1]=4 3302 B9R1.83 CC=CCSCC1CO1 62a_102125554688_100000070051 [0,0,0,1,0,0|1,1,1]=4 3303 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000070051_100000745022 [0,0,0,1,0,0|1,1,1]=4 3304 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000745022_100000070051 [0,0,0,1,0,0|1,1,1]=4 3305 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [0,0,0,1,0,0|3,0,0]=4 3306 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [0,0,0,1,0,0|3,0,0]=4 3307 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [0,0,0,1,0,0|3,0,0]=4 3308 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [0,0,0,1,0,0|3,0,0]=4 3309 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [0,0,0,1,0,0|3,0,0]=4 3310 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [0,0,0,1,0,0|2,0,0]=3 3311 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [0,0,0,1,0,0|2,0,0]=3 3312 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [0,0,0,1,0,0|2,1,0]=4 3313 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [0,0,0,1,0,0|2,0,0]=3 3314 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [0,0,0,1,0,0|2,0,0]=3 3315 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [0,0,0,1,0,0|2,0,0]=3 3316 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [0,0,0,1,0,0|2,0,0]=3 3317 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [0,0,0,1,0,0|1,0,0]=2 3318 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [0,0,0,1,0,0|1,0,0]=2 3319 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [0,0,0,1,0,0|1,1,0]=3 3320 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [0,0,0,1,0,0|1,0,0]=2 3321 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [0,0,0,1,0,0|1,0,0]=2 3322 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [0,0,0,1,0,0|2,1,0]=4 3323 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [0,0,0,1,0,0|2,1,0]=4 3324 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,0,0,1,0,0|1,1,0]=3 3325 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,0,0,1,0,0|1,1,0]=3 3326 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [0,0,0,1,0,0|1,2,0]=4 3327 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [0,0,0,1,0,0|1,2,0]=4 3328 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,0,0,1,0,0|1,1,0]=3 3329 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,0,0,1,0,0|1,1,0]=3 3330 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [0,0,0,1,0,0|3,0,0]=4 3331 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [0,0,0,1,0,0|3,0,0]=4 3332 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,0,0,1,0,0|3,0,0]=4 3333 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,0,0,1,0,0|3,0,0]=4 3334 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [0,0,0,1,0,0|3,0,0]=4 3335 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [0,0,0,1,0,0|3,0,0]=4 3336 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [0,0,0,1,0,0|2,1,0]=4 3337 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [0,0,0,1,0,0|2,1,0]=4 3338 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [0,0,0,1,0,0|2,1,0]=4 3339 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [0,0,0,1,0,0|2,1,0]=4 3340 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [0,0,0,1,0,0|3,0,0]=4 3341 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [0,0,0,1,0,0|3,0,0]=4 3342 B9R1.83 COCCCNC1CC1 34a_100000212008_100000740836 [0,0,0,1,0,0|3,0,0]=4 3343 B9R1.83 COCCCNC1CC1 34a_100150723488_100000211595 [0,0,0,1,0,0|3,0,0]=4 3344 B9R1.83 COCCCOC1CC1 34a_100000740835_100000211595 [0,0,0,1,0,0|3,0,0]=4 3345 B9R1.83 COCCCSC1CC1 62a_100000709357_100000211595 [0,0,0,1,0,0|3,0,0]=4 3346 B9R1.83 COCCNCC1CC1 2230a_100000209980_100000742324 [0,0,0,1,0,0|2,0,0]=3 3347 B9R1.83 COCCNCC1CC1 2230a_100000735609_100011201679 [0,0,0,1,0,0|2,0,0]=3 3348 B9R1.83 COCCNCC1CC1 269862a_100000209980_100000741477 [0,0,0,1,0,0|2,0,0]=3 3349 B9R1.83 COCCNCC1CC1 34a_100000735609_100011201679 [0,0,0,1,0,0|2,0,0]=3 3350 B9R1.83 COCCNCC1CO1 2230a_100000209980_100011216344 [0,0,0,1,0,0|1,0,0]=2 3351 B9R1.83 COCCOCC1CC1 34a_100000210237_100000742324 [0,0,0,1,0,0|1,0,0]=2 3352 B9R1.83 COCCOCC1CC1 34a_100000211283_100011201679 [0,0,0,1,0,0|1,0,0]=2 3353 B9R1.83 COCCOCC1CO1 34a_100000210237_102125554688 [0,0,0,1,0,0|0,0,0]=1 3354 B9R1.83 COCCOC[C@@H]1CO1 34a_100000757423_100011201679 [0,0,0,1,0,0|0,0,0]=1 3355 B9R1.83 COCCSCC1CC1 62a_100000233755_100000742324 [0,0,0,1,0,0|1,1,0]=3 3356 B9R1.83 COCCSCC1CC1 62a_100000756562_100000233755 [0,0,0,1,0,0|1,1,0]=3 3357 B9R1.83 COCCSCC1CO1 62a_100000233755_102125554688 [0,0,0,1,0,0|0,1,0]=2 3358 B9R1.83 COCCSCC1CO1 62a_102125554688_100000233755 [0,0,0,1,0,0|0,1,0]=2 3359 B9R1.83 COCCSCC1CS1 62a_100000031435_100000233755 [0,0,0,1,0,0|0,2,0]=3 3360 B9R1.83 COCCSCC1CS1 62a_100000233755_100000031435 [0,0,0,1,0,0|0,2,0]=3 3361 B9R1.83 COCCSC[C@@H]1CO1 62a_100000233755_100000745022 [0,0,0,1,0,0|0,1,0]=2 3362 B9R1.83 COCCSC[C@@H]1CO1 62a_100000745022_100000233755 [0,0,0,1,0,0|0,1,0]=2 3363 B9R1.83 COCSCCC1CC1 62a_100000764125_100000766300 [0,0,0,1,0,0|3,0,0]=4 3364 B9R1.83 COCSCCC1CC1 62a_100000766300_100000764125 [0,0,0,1,0,0|3,0,0]=4 3365 B9R1.83 COCSCCC1CO1 62a_100000732470_100000766300 [0,0,0,1,0,0|2,0,0]=3 3366 B9R1.83 COCSCCC1CO1 62a_100000766300_100000732470 [0,0,0,1,0,0|2,0,0]=3 3367 B9R1.83 CSCCNCC1CC1 2230a_100000735609_100000751147 [0,0,0,1,0,0|2,1,0]=4 3368 B9R1.83 CSCCNCC1CC1 2230a_100020590264_100000742324 [0,0,0,1,0,0|2,1,0]=4 3369 B9R1.83 CSCCNCC1CC1 269862a_100020590264_100000741477 [0,0,0,1,0,0|2,1,0]=4 3370 B9R1.83 CSCCNCC1CC1 34a_100000735609_100000212216 [0,0,0,1,0,0|2,1,0]=4 3371 B9R1.83 CSCCNCC1CO1 2230a_100020590264_100011216344 [0,0,0,1,0,0|1,1,0]=3 3372 B9R1.83 CSCCOCC1CC1 34a_100000211283_100000212216 [0,0,0,1,0,0|1,1,0]=3 3373 B9R1.83 CSCCOCC1CC1 34a_100000230434_100000742324 [0,0,0,1,0,0|1,1,0]=3 3374 B9R1.83 CSCCOCC1CC1 7a_100000230434_100000742324 [0,0,0,1,0,0|1,1,0]=3 3375 B9R1.83 CSCCOCC1CO1 34a_100000230434_102125554688 [0,0,0,1,0,0|0,1,0]=2 3376 B9R1.83 CSCCOCC1CO1 7a_100000230434_102125554688 [0,0,0,1,0,0|0,1,0]=2 3377 B9R1.83 CSCCOCC1CS1 7a_100000230434_100000031435 [0,0,0,1,0,0|0,2,0]=3 3378 B9R1.83 CSCCOC[C@@H]1CO1 34a_100000757423_100000212216 [0,0,0,1,0,0|0,1,0]=2 3379 B9R1.83 CSCCOC[C@@H]1CO1 7a_100000230434_100000745022 [0,0,0,1,0,0|0,1,0]=2 3380 B9R1.83 CSCCSCC1CC1 62a_100000212216_100000742324 [0,0,0,1,0,0|1,2,0]=4 3381 B9R1.83 CSCCSCC1CC1 62a_100000756562_100000751147 [0,0,0,1,0,0|1,2,0]=4 3382 B9R1.83 CSCCSCC1CO1 62a_100000212216_102125554688 [0,0,0,1,0,0|0,2,0]=3 3383 B9R1.83 CSCCSCC1CO1 62a_102125554688_100000751147 [0,0,0,1,0,0|0,2,0]=3 3384 B9R1.83 CSCCSCC1CS1 62a_100000031435_100000751147 [0,0,0,1,0,0|0,3,0]=4 3385 B9R1.83 CSCCSCC1CS1 62a_100000212216_100000031435 [0,0,0,1,0,0|0,3,0]=4 3386 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000212216_100000745022 [0,0,0,1,0,0|0,2,0]=3 3387 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000745022_100000751147 [0,0,0,1,0,0|0,2,0]=3 3388 B9R1.83 CSCOCC[C@@H]1CO1 34a_100009820653_100011218213 [0,0,0,1,0,0|2,1,0]=4 3389 B9R1.83 CSCSCCC1CO1 62a_100000732470_100011218213 [0,0,0,1,0,0|2,1,0]=4 3390 B9R1.83 CSCSCCC1CO1 62a_100011218213_100000732470 [0,0,0,1,0,0|2,1,0]=4 3391 B9R1.83 ClCCCOCC1CC1 34a_100000230001_100000742324 [0,0,0,1,0,0|3,0,0]=4 3392 B9R1.83 ClCCCOCC1CO1 34a_100000230001_102125554688 [0,0,0,1,0,0|2,0,0]=3 3393 B9R1.83 FCCCNCC1CO1 2230a_100015189416_100011216344 [0,0,0,1,0,0|3,0,0]=4 3394 B9R1.83 FCCCNCC1CO1 34a_100015189416_102125554688 [0,0,0,1,0,0|3,0,0]=4 3395 B9R1.83 FCCCOCC1CC1 34a_100000211283_100011934791 [0,0,0,1,0,0|3,0,0]=4 3396 B9R1.83 FCCCOCC1CC1 34a_100000759539_100000742324 [0,0,0,1,0,0|3,0,0]=4 3397 B9R1.83 FCCCOCC1CO1 34a_100000759539_102125554688 [0,0,0,1,0,0|2,0,0]=3 3398 B9R1.83 FCCCOC[C@@H]1CO1 34a_100000757423_100011934791 [0,0,0,1,0,0|2,0,0]=3 3399 B9R1.83 FCCCSCC1CO1 62a_100011934791_102125554688 [0,0,0,1,0,0|2,1,0]=4 3400 B9R1.83 FCCCSCC1CO1 62a_102125554688_100011934791 [0,0,0,1,0,0|2,1,0]=4 3401 B9R1.83 FCCCSC[C@@H]1CO1 62a_100000745022_100011934791 [0,0,0,1,0,0|2,1,0]=4 3402 B9R1.83 FCCCSC[C@@H]1CO1 62a_100011934791_100000745022 [0,0,0,1,0,0|2,1,0]=4 3403 B9R1.83 N#CCCSCC1CO1 62a_100011215226_102125554688 [0,0,0,1,0,0|2,1,0]=4 3404 B9R1.83 N#CCCSCC1CO1 62a_102125554688_100011215226 [0,0,0,1,0,0|2,1,0]=4 3405 B9R1.83 N#CCCSC[C@@H]1CO1 62a_100000745022_100011215226 [0,0,0,1,0,0|2,1,0]=4 3406 B9R1.83 N#CCCSC[C@@H]1CO1 62a_100011215226_100000745022 [0,0,0,1,0,0|2,1,0]=4 3407 B9R1.83 NCCCOCC1CC1 34a_100000182051_100000742324 [0,0,0,1,0,0|3,0,0]=4 3408 B9R1.83 NCCCOCC1CO1 34a_100000182051_102125554688 [0,0,0,1,0,0|2,0,0]=3 3409 B9R1.83 NOCCOCC1CC1 34a_100000700252_100000742324 [0,0,0,1,0,0|2,0,0]=3 3410 B9R1.83 NOCCOCC1CO1 34a_100000700252_102125554688 [0,0,0,1,0,0|1,0,0]=2 3411 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [0,0,0,1,0,0|3,0,0]=4 3412 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [0,0,0,1,0,0|2,0,0]=3 3413 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [0,0,0,1,0,0|2,1,0]=4 3414 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [0,0,0,1,0,0|2,1,0]=4 3415 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [0,0,0,1,0,0|2,1,0]=4 3416 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [0,0,0,1,0,0|2,1,0]=4 3417 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,0,0,1,0,0|3,0,0]=4 3418 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,0,0,1,0,0|3,0,0]=4 3419 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,0,0,1,0,0|3,0,0]=4 3420 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,0,0,1,0,0|3,0,0]=4 3421 B9R1.89 CNC1CSCCSC1 270004a_106832991635_100000068409 [0,0,0,1,0,0|1,2,0]=4 3422 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,0,0,1,0,0|2,0,0]=3 3423 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,0,0,1,0,0|2,0,0]=3 3424 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,0,0,1,0,0|2,0,0]=3 3425 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,0,0,1,0,0|2,1,0]=4 3426 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,0,0,1,0,0|2,1,0]=4 3427 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,0,0,1,0,0|3,0,0]=4 3428 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,0,0,1,0,0|3,0,0]=4 3429 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,0,0,1,0,0|2,0,0]=3 3430 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,0,0,1,0,0|2,0,0]=3 3431 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,0,0,1,0,0|2,1,0]=4 3432 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,0,0,1,0,0|2,1,0]=4 3433 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [2,0,0,0,0,0|0,0,2]=4 3434 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [2,0,0,0,0,0|0,0,2]=4 3435 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [2,0,0,0,0,0|0,0,2]=4 3436 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [2,0,0,0,0,0|0,0,2]=4 3437 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [2,0,0,0,0,0|0,0,2]=4 3438 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [2,0,0,0,0,0|1,0,1]=4 3439 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [2,0,0,0,0,0|1,0,1]=4 3440 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [2,0,0,0,0,0|0,0,2]=4 3441 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [2,0,0,0,0,0|0,0,2]=4 3442 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [2,0,0,0,0,0|0,0,2]=4 3443 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|0,0,2]=4 3444 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|0,0,2]=4 3445 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,1]=4 3446 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,1]=4 3447 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|0,0,2]=4 3448 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|0,0,2]=4 3449 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|0,0,2]=4 3450 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|0,0,2]=4 3451 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|0,0,2]=4 3452 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,1]=4 3453 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,1]=4 3454 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|0,0,2]=4 3455 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|0,0,2]=4 3456 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [2,0,0,0,0,0|0,0,2]=4 3457 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|0,0,2]=4 3458 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|0,0,2]=4 3459 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|0,0,2]=4 3460 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [2,0,0,0,0,0|0,0,2]=4 3461 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [2,0,0,0,0,0|0,0,2]=4 3462 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [2,0,0,0,0,0|1,0,1]=4 3463 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [2,0,0,0,0,0|1,0,1]=4 3464 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|0,0,2]=4 3465 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|0,0,2]=4 3466 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|0,0,2]=4 3467 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,1]=4 3468 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [2,0,0,0,0,0|0,0,2]=4 3469 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [2,0,0,0,0,0|0,0,2]=4 3470 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [2,0,0,0,0,0|0,0,2]=4 3471 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,0]=3 3472 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 3473 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,0]=3 3474 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 3475 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,0]=3 3476 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|0,0,0]=2 3477 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|0,0,0]=2 3478 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|0,0,0]=2 3479 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|0,0,0]=2 3480 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|0,0,0]=2 3481 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|0,1,0]=3 3482 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|0,1,0]=3 3483 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|0,1,0]=3 3484 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|0,1,0]=3 3485 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|2,0,0]=4 3486 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|2,0,0]=4 3487 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|2,0,0]=4 3488 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 3489 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,0]=3 3490 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 3491 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 3492 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 3493 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,1,0]=4 3494 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,1,0]=4 3495 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 3496 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,0]=3 3497 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,0]=3 3498 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|0,0,2]=4 3499 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|1,0,0]=3 3500 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|0,0,0]=2 3501 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|1,0,0]=3 3502 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|1,0,0]=3 3503 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|0,0,0]=2 3504 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|0,1,0]=3 3505 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|0,1,0]=3 3506 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|1,1,0]=4 3507 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|1,1,0]=4 3508 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|0,1,0]=3 3509 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|0,1,0]=3 3510 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|0,1,0]=3 3511 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|0,1,0]=3 3512 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|0,2,0]=4 3513 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|0,2,0]=4 3514 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|2,0,0]=4 3515 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|1,0,0]=3 3516 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|1,0,0]=3 3517 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|1,1,0]=4 3518 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|1,1,0]=4 3519 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 3520 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 3521 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 3522 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 3523 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 3524 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|2,0,0]=4 3525 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|1,0,0]=3 3526 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|1,0,0]=3 3527 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|1,0,0]=3 3528 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|1,0,0]=3 3529 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|1,0,0]=3 3530 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|1,0,0]=3 3531 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|1,0,0]=3 3532 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|0,0,0]=2 3533 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|0,0,0]=2 3534 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|0,0,0]=2 3535 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|0,0,0]=2 3536 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|0,0,0]=2 3537 B6R0.6 CCOCCON 34a_100000700252_100000210202 [2,0,0,0,0,0|1,0,0]=3 3538 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|0,0,0]=2 3539 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|0,0,0]=2 3540 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|0,1,0]=3 3541 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|0,1,0]=3 3542 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|0,1,0]=3 3543 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|0,1,0]=3 3544 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|0,1,0]=3 3545 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|0,1,0]=3 3546 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|0,1,0]=3 3547 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|2,0,0]=4 3548 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|2,0,0]=4 3549 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|2,0,0]=4 3550 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|2,0,0]=4 3551 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|1,1,0]=4 3552 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|1,1,0]=4 3553 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|1,1,0]=4 3554 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|1,1,0]=4 3555 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|1,1,0]=4 3556 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|0,1,0]=3 3557 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|0,1,0]=3 3558 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|0,1,0]=3 3559 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|0,1,0]=3 3560 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|0,1,0]=3 3561 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|0,1,0]=3 3562 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|0,1,0]=3 3563 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|0,2,0]=4 3564 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|0,2,0]=4 3565 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|0,2,0]=4 3566 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|0,2,0]=4 3567 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|0,2,0]=4 3568 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|0,2,0]=4 3569 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 3570 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 3571 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 3572 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 3573 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 3574 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 3575 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,0]=3 3576 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 3577 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|1,0,0]=3 3578 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|1,0,0]=3 3579 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|1,0,0]=3 3580 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|1,0,0]=3 3581 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|1,0,0]=3 3582 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|1,0,0]=3 3583 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|1,1,0]=4 3584 B6R0.6 COCC#CCO 34a_100138415774_200000047223 [2,0,0,0,0,0|0,0,2]=4 3585 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|1,0,0]=3 3586 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 3587 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 3588 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|1,0,0]=3 3589 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|1,0,0]=3 3590 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|1,0,0]=3 3591 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|1,0,0]=3 3592 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 3593 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|0,0,0]=2 3594 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|1,0,0]=3 3595 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|0,0,0]=2 3596 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|0,0,0]=2 3597 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|0,0,0]=2 3598 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|0,1,0]=3 3599 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|0,1,0]=3 3600 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|0,1,0]=3 3601 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|0,1,0]=3 3602 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|0,1,0]=3 3603 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|0,1,0]=3 3604 B6R0.6 COCCOCF 34a_100000210237_100015361967 [2,0,0,0,0,0|1,0,0]=3 3605 B6R0.6 COCCSCF 62a_100000233755_100015361967 [2,0,0,0,0,0|1,1,0]=4 3606 B6R0.6 COCCSCF 62a_100015361967_100000233755 [2,0,0,0,0,0|1,1,0]=4 3607 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [2,0,0,0,0,0|1,0,0]=3 3608 B6R0.6 COCSCCF 62a_100000766300_100011217306 [2,0,0,0,0,0|1,1,0]=4 3609 B6R0.6 COCSCCF 62a_100011217306_100000766300 [2,0,0,0,0,0|1,1,0]=4 3610 B6R0.6 COCSCCO 62a_100000211926_100000766300 [2,0,0,0,0,0|0,1,0]=3 3611 B6R0.6 COCSCCO 62a_100000766300_100000211926 [2,0,0,0,0,0|0,1,0]=3 3612 B6R0.6 COCSCOC 62a_100000766300_100000766300 [2,0,0,0,0,0|0,1,0]=3 3613 B6R0.6 COCSCSC 62a_100000766300_100011218213 [2,0,0,0,0,0|0,2,0]=4 3614 B6R0.6 COCSCSC 62a_100011218213_100000766300 [2,0,0,0,0,0|0,2,0]=4 3615 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|1,1,0]=4 3616 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|1,1,0]=4 3617 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|0,1,0]=3 3618 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|0,1,0]=3 3619 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|1,1,0]=4 3620 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|0,1,0]=3 3621 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|0,1,0]=3 3622 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [2,0,0,0,0,0|1,1,0]=4 3623 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [2,0,0,0,0,0|1,1,0]=4 3624 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|1,1,0]=4 3625 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|1,1,0]=4 3626 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [2,0,0,0,0,0|1,1,0]=4 3627 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [2,0,0,0,0,0|1,1,0]=4 3628 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [2,0,0,0,0,0|0,2,0]=4 3629 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [2,0,0,0,0,0|0,2,0]=4 3630 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [2,0,0,0,0,0|2,0,0]=4 3631 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [2,0,0,0,0,0|2,0,0]=4 3632 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [2,0,0,0,0,0|1,0,0]=3 3633 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [2,0,0,0,0,0|2,0,0]=4 3634 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [2,0,0,0,0,0|2,0,0]=4 3635 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [2,0,0,0,0,0|2,0,0]=4 3636 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [2,0,0,0,0,0|2,0,0]=4 3637 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|1,0,0]=3 3638 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|1,0,0]=3 3639 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [2,0,0,0,0,0|1,0,0]=3 3640 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [2,0,0,0,0,0|1,1,0]=4 3641 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [2,0,0,0,0,0|1,1,0]=4 3642 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|0,1,0]=3 3643 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 3644 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 3645 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|1,0,0]=3 3646 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 3647 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 3648 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|1,0,0]=3 3649 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|1,0,0]=3 3650 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|1,0,0]=3 3651 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 3652 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|1,1,0]=4 3653 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|1,1,0]=4 3654 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|0,1,0]=3 3655 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|0,1,0]=3 3656 B8R0.1 C#CCC(C)OCCC 34a_100000685586_100000210303 [1,1,0,0,0,0|1,0,1]=4 3657 B8R0.1 C#CCC(C)OCCC 7a_100000685586_100000210303 [1,1,0,0,0,0|1,0,1]=4 3658 B8R0.1 C#CCC(C)OCCO 34a_100000685586_100000211926 [1,1,0,0,0,0|1,0,1]=4 3659 B8R0.1 C#CCC(C)OCCO 7a_100000685586_100000211926 [1,1,0,0,0,0|1,0,1]=4 3660 B8R0.1 C#CCOC(C)COC 34a_100000210247_100000765312 [1,1,0,0,0,0|0,0,2]=4 3661 B8R0.1 C#CCOC(C)COC 34a_200000093152_200000210301 [1,1,0,0,0,0|0,0,2]=4 3662 B8R0.1 C#CCOC(C)COC 7a_200000093152_200000210301 [1,1,0,0,0,0|0,0,2]=4 3663 B8R0.1 C#CCOC(C)CO[13CH3] 34a_200000093152_200025704644 [1,1,0,0,0,0|0,0,2]=4 3664 B8R0.1 C#CCOC(C)CO[13CH3] 7a_200000093152_200025704644 [1,1,0,0,0,0|0,0,2]=4 3665 B8R0.1 C#CCO[C@H](C)COC 34a_100011934205_100000184674 [1,1,0,0,0,0|0,0,2]=4 3666 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [1,1,0,0,0,0|1,0,1]=4 3667 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [1,1,0,0,0,0|1,0,1]=4 3668 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [1,1,0,0,0,0|1,0,1]=4 3669 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [1,1,0,0,0,0|0,0,1]=3 3670 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [1,1,0,0,0,0|0,1,1]=4 3671 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [1,1,0,0,0,0|0,1,1]=4 3672 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [1,1,0,0,0,0|0,1,1]=4 3673 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [1,1,0,0,0,0|0,1,1]=4 3674 B8R0.1 C=CCOC(C)COC 34a_200000210373_100000765312 [1,1,0,0,0,0|0,0,2]=4 3675 B8R0.1 C=CCO[C@H](C)COC 34a_100011934205_100015514636 [1,1,0,0,0,0|0,0,2]=4 3676 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [1,1,0,0,0,0|1,0,1]=4 3677 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [1,1,0,0,0,0|1,0,1]=4 3678 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [1,1,0,0,0,0|1,0,1]=4 3679 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [1,1,0,0,0,0|1,0,1]=4 3680 B8R0.1 CC#CC(C)OCCC 34a_100011216543_100000210303 [1,1,0,0,0,0|1,0,1]=4 3681 B8R0.1 CC#CC(C)OCCO 34a_100011216543_100000211926 [1,1,0,0,0,0|1,0,1]=4 3682 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [1,1,0,0,0,0|2,0,0]=4 3683 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,0]=3 3684 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,0]=3 3685 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,1,0]=4 3686 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,1,0]=4 3687 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,1,0,0,0,0|1,0,1]=4 3688 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|1,0,0]=3 3689 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|1,0,0]=3 3690 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|1,0,0]=3 3691 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|1,0,0]=3 3692 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [1,1,0,0,0,0|2,0,0]=4 3693 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [1,1,0,0,0,0|2,0,0]=4 3694 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [1,1,0,0,0,0|2,0,0]=4 3695 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [1,1,0,0,0,0|2,0,0]=4 3696 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [1,1,0,0,0,0|2,0,0]=4 3697 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [1,1,0,0,0,0|2,0,0]=4 3698 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [1,1,0,0,0,0|2,0,0]=4 3699 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [1,1,0,0,0,0|2,0,0]=4 3700 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [1,1,0,0,0,0|2,0,0]=4 3701 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,1,0,0,0,0|1,0,0]=3 3702 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,1,0,0,0,0|1,0,0]=3 3703 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [1,1,0,0,0,0|1,1,0]=4 3704 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [1,1,0,0,0,0|1,1,0]=4 3705 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [1,1,0,0,0,0|1,1,0]=4 3706 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [1,1,0,0,0,0|1,1,0]=4 3707 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [1,1,0,0,0,0|1,1,0]=4 3708 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|2,0,0]=4 3709 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|2,0,0]=4 3710 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|2,0,0]=4 3711 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|2,0,0]=4 3712 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|1,0,1]=4 3713 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,0]=3 3714 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,0]=3 3715 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,0]=3 3716 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,0]=3 3717 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,1,0,0,0,0|2,0,0]=4 3718 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,1,0,0,0,0|2,0,0]=4 3719 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,1,0,0,0,0|2,0,0]=4 3720 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,1,0,0,0,0|2,0,0]=4 3721 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,1,0,0,0,0|2,0,0]=4 3722 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,1,0,0,0,0|2,0,0]=4 3723 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [1,1,0,0,0,0|2,0,0]=4 3724 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [1,1,0,0,0,0|2,0,0]=4 3725 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [1,1,0,0,0,0|2,0,0]=4 3726 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [1,1,0,0,0,0|2,0,0]=4 3727 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [1,1,0,0,0,0|2,0,0]=4 3728 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [1,1,0,0,0,0|2,0,0]=4 3729 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 3730 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 3731 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,1,0,0,0,0|2,0,0]=4 3732 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,1,0,0,0,0|2,0,0]=4 3733 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [1,1,0,0,0,0|2,0,0]=4 3734 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [1,1,0,0,0,0|2,0,0]=4 3735 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,0]=3 3736 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,0]=3 3737 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [1,1,0,0,0,0|1,0,0]=3 3738 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [1,1,0,0,0,0|1,0,0]=3 3739 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [1,1,0,0,0,0|1,0,0]=3 3740 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [1,1,0,0,0,0|1,0,0]=3 3741 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [1,1,0,0,0,0|1,0,0]=3 3742 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [1,1,0,0,0,0|1,0,0]=3 3743 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [1,1,0,0,0,0|1,1,0]=4 3744 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [1,1,0,0,0,0|1,1,0]=4 3745 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [1,1,0,0,0,0|1,1,0]=4 3746 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [1,1,0,0,0,0|1,1,0]=4 3747 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [1,1,0,0,0,0|1,0,0]=3 3748 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [1,1,0,0,0,0|1,0,0]=3 3749 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 3750 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 3751 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 3752 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,1,0,0,0,0|1,0,1]=4 3753 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 3754 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,1,0,0,0,0|2,0,0]=4 3755 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,1,0,0,0,0|2,0,0]=4 3756 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [1,1,0,0,0,0|1,0,0]=3 3757 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [1,1,0,0,0,0|1,1,0]=4 3758 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [1,1,0,0,0,0|1,0,0]=3 3759 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,1,0,0,0,0|1,0,1]=4 3760 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,1,0,0,0,0|1,0,1]=4 3761 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,1,0,0,0,0|1,0,1]=4 3762 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|0,0,1]=3 3763 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,1,0,0,0,0|0,1,1]=4 3764 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,1,0,0,0,0|0,1,1]=4 3765 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,1,0,0,0,0|0,1,1]=4 3766 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,1,0,0,0,0|0,1,1]=4 3767 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [1,1,0,0,0,0|2,0,0]=4 3768 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,1,0,0,0,0|1,0,0]=3 3769 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,1,0,0,0,0|1,0,0]=3 3770 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,1,0,0,0,0|1,0,0]=3 3771 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,1,0,0,0,0|2,0,0]=4 3772 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [1,1,0,0,0,0|1,0,0]=3 3773 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [1,1,0,0,0,0|1,0,0]=3 3774 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [1,1,0,0,0,0|1,0,0]=3 3775 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [1,1,0,0,0,0|1,0,0]=3 3776 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,1,0,0,0,0|0,0,0]=2 3777 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,1,0,0,0,0|0,0,0]=2 3778 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,1,0,0,0,0|1,1,0]=4 3779 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,1,0,0,0,0|1,1,0]=4 3780 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [1,1,0,0,0,0|0,1,0]=3 3781 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [1,1,0,0,0,0|0,1,0]=3 3782 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|1,0,0]=3 3783 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|1,0,0]=3 3784 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,1,0,0,0,0|2,0,0]=4 3785 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,1,0,0,0,0|2,0,0]=4 3786 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,1,0,0,0,0|2,0,0]=4 3787 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [1,1,0,0,0,0|2,0,0]=4 3788 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 3789 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 3790 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,1,0,0,0,0|2,0,0]=4 3791 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|2,0,0]=4 3792 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,1,0,0,0,0|2,0,0]=4 3793 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [1,1,0,0,0,0|2,0,0]=4 3794 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [1,1,0,0,0,0|2,0,0]=4 3795 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 3796 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 3797 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|1,0,1]=4 3798 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,1,0,0,0,0|0,1,1]=4 3799 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [1,1,0,0,0,0|1,0,1]=4 3800 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [1,1,0,0,0,0|1,0,1]=4 3801 B8R0.1 COCC(C)NCCF 34a_100000724931_100000765312 [1,1,0,0,0,0|2,0,0]=4 3802 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [1,1,0,0,0,0|1,0,0]=3 3803 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [1,1,0,0,0,0|1,0,0]=3 3804 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [1,1,0,0,0,0|1,0,0]=3 3805 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [1,1,0,0,0,0|1,0,0]=3 3806 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [1,1,0,0,0,0|1,0,0]=3 3807 B8R0.1 COCC(C)SCCF 62a_100000765312_100011217306 [1,1,0,0,0,0|1,1,0]=4 3808 B8R0.1 COCC(C)SCCF 62a_100011217306_100000765312 [1,1,0,0,0,0|1,1,0]=4 3809 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [1,1,0,0,0,0|0,1,0]=3 3810 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [1,1,0,0,0,0|0,1,0]=3 3811 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [1,1,0,0,0,0|0,2,0]=4 3812 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [1,1,0,0,0,0|0,2,0]=4 3813 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,1,0,0,0,0|2,0,0]=4 3814 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|1,0,0]=3 3815 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|1,0,0]=3 3816 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,1,0,0,0,0|0,0,1]=3 3817 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,1,0,0,0,0|0,1,1]=4 3818 B8R0.1 COCCN(C)CCF 2230a_100000743101_100011217306 [1,1,0,0,0,0|2,0,0]=4 3819 B8R0.1 COCCN(C)CCF 269982a_100000743101_100011217306 [1,1,0,0,0,0|2,0,0]=4 3820 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [1,1,0,0,0,0|1,0,0]=3 3821 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [1,1,0,0,0,0|1,0,0]=3 3822 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [1,1,0,0,0,0|1,0,0]=3 3823 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [1,1,0,0,0,0|1,0,0]=3 3824 B8R0.1 COCCN(C)COC 2230a_100000743101_100000766300 [1,1,0,0,0,0|1,0,0]=3 3825 B8R0.1 COCCN(C)COC 269982a_100000743101_100000766300 [1,1,0,0,0,0|1,0,0]=3 3826 B8R0.1 COCCN(C)CSC 2230a_100000743101_100011218213 [1,1,0,0,0,0|1,1,0]=4 3827 B8R0.1 COCCN(C)CSC 269982a_100000743101_100011218213 [1,1,0,0,0,0|1,1,0]=4 3828 B8R0.1 COCN(C)CCCO 2230a_100000213112_100000766300 [1,1,0,0,0,0|2,0,0]=4 3829 B8R0.1 COCN(C)CCCO 269982a_100000213112_100000766300 [1,1,0,0,0,0|2,0,0]=4 3830 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [1,1,0,0,0,0|1,1,0]=4 3831 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [1,1,0,0,0,0|1,1,0]=4 3832 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [1,1,0,0,0,0|2,0,0]=4 3833 B8R0.1 COCN[C@H](C)COC 2230a_100000764878_100000766300 [1,1,0,0,0,0|1,0,0]=3 3834 B8R0.1 COCO[C@H](C)COC 34a_100016172286_200000210301 [1,1,0,0,0,0|0,0,0]=2 3835 B8R0.1 COCO[C@H](C)COC 7a_100016172286_200000210301 [1,1,0,0,0,0|0,0,0]=2 3836 B8R0.1 COCO[C@H](C)CO[13CH3] 34a_100016172286_200025704644 [1,1,0,0,0,0|0,0,0]=2 3837 B8R0.1 COCO[C@H](C)CO[13CH3] 7a_100016172286_200025704644 [1,1,0,0,0,0|0,0,0]=2 3838 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [1,1,0,0,0,0|2,0,0]=4 3839 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [1,1,0,0,0,0|2,0,0]=4 3840 B8R0.1 COCSC(C)COC 62a_100000765312_100000766300 [1,1,0,0,0,0|0,1,0]=3 3841 B8R0.1 COCSC(C)COC 62a_100000766300_100000765312 [1,1,0,0,0,0|0,1,0]=3 3842 B8R0.1 COC[C@@H](C)NCCF 2230a_100000764878_100011217306 [1,1,0,0,0,0|2,0,0]=4 3843 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [1,1,0,0,0,0|1,0,0]=3 3844 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [1,1,0,0,0,0|1,1,0]=4 3845 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [1,1,0,0,0,0|0,0,2]=4 3846 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [1,1,0,0,0,0|1,0,0]=3 3847 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [1,1,0,0,0,0|0,0,0]=2 3848 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [1,1,0,0,0,0|0,1,0]=3 3849 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|0,1,0]=3 3850 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [1,1,0,0,0,0|1,1,0]=4 3851 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|1,1,0]=4 3852 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|1,1,0]=4 3853 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [1,1,0,0,0,0|1,1,0]=4 3854 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [1,1,0,0,0,0|1,1,0]=4 3855 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [1,1,0,0,0,0|1,1,0]=4 3856 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [1,1,0,0,0,0|1,1,0]=4 3857 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|0,1,0]=3 3858 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 3859 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 3860 B8R0.6 C#CC(C)OCCOC 34a_100000210237_200000035995 [1,1,0,0,0,0|0,0,2]=4 3861 B8R0.6 C#CCCOC(C)CC 34a_100011215631_100011215416 [1,1,0,0,0,0|1,0,1]=4 3862 B8R0.6 C#CCCOC(C)CC 7a_100000210228_100000688953 [1,1,0,0,0,0|1,0,1]=4 3863 B8R0.6 C#CCCOC(C)CO 34a_100011215631_100012180447 [1,1,0,0,0,0|1,0,1]=4 3864 B8R0.6 C#CCOCC(C)OC 34a_100000690652_100000184674 [1,1,0,0,0,0|0,0,2]=4 3865 B8R0.6 C#CCOCC(C)OC 34a_100011025554_200000210301 [1,1,0,0,0,0|0,0,2]=4 3866 B8R0.6 C#CCOCC(C)OC 7a_100011025554_200000210301 [1,1,0,0,0,0|0,0,2]=4 3867 B8R0.6 C#CCOCC(C)O[13CH3] 34a_100011025554_200025704644 [1,1,0,0,0,0|0,0,2]=4 3868 B8R0.6 C#CCOCC(C)O[13CH3] 7a_100011025554_200025704644 [1,1,0,0,0,0|0,0,2]=4 3869 B8R0.6 C#C[C@@H](C)OCCOC 34a_100009815206_100011201679 [1,1,0,0,0,0|0,0,2]=4 3870 B8R0.6 C#C[C@@H](C)OCCOC 7a_100009815206_100000233755 [1,1,0,0,0,0|0,0,2]=4 3871 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [1,1,0,0,0,0|1,0,1]=4 3872 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [1,1,0,0,0,0|1,0,1]=4 3873 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [1,1,0,0,0,0|1,0,1]=4 3874 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [1,1,0,0,0,0|1,0,1]=4 3875 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [1,1,0,0,0,0|1,0,1]=4 3876 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [1,1,0,0,0,0|1,0,1]=4 3877 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [1,1,0,0,0,0|1,0,1]=4 3878 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [1,1,0,0,0,0|0,0,2]=4 3879 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,1,0,0,0,0|1,0,1]=4 3880 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [1,1,0,0,0,0|1,0,1]=4 3881 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [1,1,0,0,0,0|1,0,1]=4 3882 B8R0.6 C=CCCOC(C)CO 34a_100011205117_100012180447 [1,1,0,0,0,0|1,0,1]=4 3883 B8R0.6 C=CCOCC(C)OC 34a_100000690652_100015514636 [1,1,0,0,0,0|0,0,2]=4 3884 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|1,0,1]=4 3885 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [1,1,0,0,0,0|1,0,1]=4 3886 B8R0.6 CC#CCOC(C)CC 34a_100000761923_100011215416 [1,1,0,0,0,0|1,0,1]=4 3887 B8R0.6 CC#CCOC(C)CC 7a_100000210228_100000748600 [1,1,0,0,0,0|1,0,1]=4 3888 B8R0.6 CC#CCOC(C)CO 34a_100000761923_100012180447 [1,1,0,0,0,0|1,0,1]=4 3889 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|2,0,0]=4 3890 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [1,1,0,0,0,0|2,0,0]=4 3891 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [1,1,0,0,0,0|2,0,0]=4 3892 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [1,1,0,0,0,0|2,0,0]=4 3893 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,1,0,0,0,0|2,0,0]=4 3894 B8R0.6 CC(CO)OCCON 34a_100000700252_100012180447 [1,1,0,0,0,0|1,0,0]=3 3895 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [1,1,0,0,0,0|1,0,1]=4 3896 B8R0.6 CCC#CCC(C)OC 34a_200000035118_200000210301 [1,1,0,0,0,0|1,0,1]=4 3897 B8R0.6 CCC#CCC(C)OC 7a_200000035118_200000210301 [1,1,0,0,0,0|1,0,1]=4 3898 B8R0.6 CCC#CCC(C)O[13CH3] 34a_200000035118_200025704644 [1,1,0,0,0,0|1,0,1]=4 3899 B8R0.6 CCC#CCC(C)O[13CH3] 7a_200000035118_200025704644 [1,1,0,0,0,0|1,0,1]=4 3900 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|1,0,1]=4 3901 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|1,0,1]=4 3902 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,1,0,0,0,0|1,0,1]=4 3903 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,1,0,0,0,0|1,0,1]=4 3904 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,1,0,0,0,0|1,0,1]=4 3905 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,1,0,0,0,0|1,0,1]=4 3906 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,1,0,0,0,0|1,0,1]=4 3907 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,1,0,0,0,0|1,0,1]=4 3908 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,1,0,0,0,0|1,0,1]=4 3909 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,1,0,0,0,0|1,0,1]=4 3910 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,1,0,0,0,0|1,0,1]=4 3911 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,1,0,0,0,0|0,0,1]=3 3912 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,1,0,0,0,0|0,0,1]=3 3913 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|1,0,0]=3 3914 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|1,0,0]=3 3915 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,1,0,0,0,0|2,0,0]=4 3916 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,1,0,0,0,0|2,0,0]=4 3917 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,1,0,0,0,0|2,0,0]=4 3918 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,1,0,0,0,0|2,0,0]=4 3919 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [1,1,0,0,0,0|2,0,0]=4 3920 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [1,1,0,0,0,0|2,0,0]=4 3921 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [1,1,0,0,0,0|2,0,0]=4 3922 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,1,0,0,0,0|1,1,0]=4 3923 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,1,0,0,0,0|1,1,0]=4 3924 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [1,1,0,0,0,0|1,1,0]=4 3925 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [1,1,0,0,0,0|1,1,0]=4 3926 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [1,1,0,0,0,0|1,0,0]=3 3927 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [1,1,0,0,0,0|1,0,0]=3 3928 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [1,1,0,0,0,0|1,1,0]=4 3929 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [1,1,0,0,0,0|1,1,0]=4 3930 B8R0.6 CCC(C)OCCC#N 7a_100000210228_100000184422 [1,1,0,0,0,0|2,0,0]=4 3931 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [1,1,0,0,0,0|2,0,0]=4 3932 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [1,1,0,0,0,0|2,0,0]=4 3933 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [1,1,0,0,0,0|2,0,0]=4 3934 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [1,1,0,0,0,0|2,0,0]=4 3935 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [1,1,0,0,0,0|2,0,0]=4 3936 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|2,0,0]=4 3937 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [1,1,0,0,0,0|0,0,0]=2 3938 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [1,1,0,0,0,0|0,0,0]=2 3939 B8R0.6 CCC(C)OCCON 34a_100000700252_100011215416 [1,1,0,0,0,0|1,0,0]=3 3940 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [1,1,0,0,0,0|0,1,0]=3 3941 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [1,1,0,0,0,0|0,1,0]=3 3942 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [1,1,0,0,0,0|0,1,0]=3 3943 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [1,1,0,0,0,0|0,1,0]=3 3944 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [1,1,0,0,0,0|0,1,0]=3 3945 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [1,1,0,0,0,0|0,2,0]=4 3946 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [1,1,0,0,0,0|0,2,0]=4 3947 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,1,0,0,0,0|2,0,0]=4 3948 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,1,0,0,0,0|2,0,0]=4 3949 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,1,0,0,0,0|2,0,0]=4 3950 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [1,1,0,0,0,0|2,0,0]=4 3951 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [1,1,0,0,0,0|2,0,0]=4 3952 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [1,1,0,0,0,0|2,0,0]=4 3953 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [1,1,0,0,0,0|1,1,0]=4 3954 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [1,1,0,0,0,0|1,1,0]=4 3955 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [1,1,0,0,0,0|1,1,0]=4 3956 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [1,1,0,0,0,0|1,1,0]=4 3957 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|2,0,0]=4 3958 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|2,0,0]=4 3959 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|2,0,0]=4 3960 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|2,0,0]=4 3961 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|2,0,0]=4 3962 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|2,0,0]=4 3963 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|1,0,0]=3 3964 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|1,0,0]=3 3965 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|1,0,0]=3 3966 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|1,0,0]=3 3967 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|1,0,0]=3 3968 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,1,0]=4 3969 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,1,0]=4 3970 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,1,0]=4 3971 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,1,0]=4 3972 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,1,0,0,0,0|2,0,0]=4 3973 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,1,0,0,0,0|2,0,0]=4 3974 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,1,0,0,0,0|2,0,0]=4 3975 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,1,0,0,0,0|2,0,0]=4 3976 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,1,0,0,0,0|2,0,0]=4 3977 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,1,0,0,0,0|2,0,0]=4 3978 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|1,0,0]=3 3979 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|1,0,0]=3 3980 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|1,0,0]=3 3981 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,1,0,0,0,0|2,0,0]=4 3982 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,1,0,0,0,0|2,0,0]=4 3983 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,1,0,0,0,0|2,0,0]=4 3984 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|1,0,0]=3 3985 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|1,0,0]=3 3986 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,1,0,0,0,0|1,1,0]=4 3987 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,1,0,0,0,0|1,1,0]=4 3988 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,1,0,0,0,0|1,1,0]=4 3989 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [1,1,0,0,0,0|1,1,0]=4 3990 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [1,1,0,0,0,0|1,1,0]=4 3991 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,1,0,0,0,0|1,1,0]=4 3992 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,1,0,0,0,0|1,1,0]=4 3993 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,1,0,0,0,0|2,0,0]=4 3994 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,1,0,0,0,0|2,0,0]=4 3995 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,1,0,0,0,0|2,0,0]=4 3996 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,1,0,0,0,0|1,0,0]=3 3997 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|1,0,1]=4 3998 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|1,0,1]=4 3999 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,1,0,0,0,0|1,0,1]=4 4000 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,1,0,0,0,0|1,0,1]=4 4001 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,1,0,0,0,0|1,0,1]=4 4002 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,1,0,0,0,0|1,0,1]=4 4003 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,1,0,0,0,0|1,0,1]=4 4004 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,1,0,0,0,0|1,0,1]=4 4005 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,1,0,0,0,0|0,0,1]=3 4006 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,1,0,0,0,0|1,0,0]=3 4007 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,1,0,0,0,0|2,0,0]=4 4008 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,1,0,0,0,0|0,0,0]=2 4009 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [1,1,0,0,0,0|2,0,0]=4 4010 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,1,0,0,0,0|1,0,0]=3 4011 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,1,0,0,0,0|2,0,0]=4 4012 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,1,0,0,0,0|1,0,0]=3 4013 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,1,0,0,0,0|1,0,0]=3 4014 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|2,0,0]=4 4015 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [1,1,0,0,0,0|2,0,0]=4 4016 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,1,0,0,0,0|2,0,0]=4 4017 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [1,1,0,0,0,0|2,0,0]=4 4018 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,1,0,0,0,0|0,1,1]=4 4019 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,1,0,0,0,0|0,1,1]=4 4020 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,1,0,0,0,0|1,1,0]=4 4021 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,1,0,0,0,0|1,1,0]=4 4022 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [1,1,0,0,0,0|1,1,0]=4 4023 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,1,0,0,0,0|1,1,0]=4 4024 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,1,0,0,0,0|1,1,0]=4 4025 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,1,0,0,0,0|1,1,0]=4 4026 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,1,0,0,0,0|1,1,0]=4 4027 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [1,1,0,0,0,0|2,0,0]=4 4028 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [1,1,0,0,0,0|2,0,0]=4 4029 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [1,1,0,0,0,0|2,0,0]=4 4030 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [1,1,0,0,0,0|2,0,0]=4 4031 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|2,0,0]=4 4032 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,1,0,0,0,0|2,0,0]=4 4033 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,1,0,0,0,0|2,0,0]=4 4034 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [1,1,0,0,0,0|2,0,0]=4 4035 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [1,1,0,0,0,0|2,0,0]=4 4036 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [1,1,0,0,0,0|2,0,0]=4 4037 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,1,0,0,0,0|1,0,0]=3 4038 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,1,0,0,0,0|1,1,0]=4 4039 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,1,0,0,0,0|1,1,0]=4 4040 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [1,1,0,0,0,0|1,1,0]=4 4041 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [1,1,0,0,0,0|1,1,0]=4 4042 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,1,0,0,0,0|1,0,1]=4 4043 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,1,0,0,0,0|1,0,1]=4 4044 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,1,0,0,0,0|1,0,1]=4 4045 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,1,0,0,0,0|1,0,1]=4 4046 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,1,0,0,0,0|1,0,1]=4 4047 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [1,1,0,0,0,0|1,0,1]=4 4048 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [1,1,0,0,0,0|1,0,1]=4 4049 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [1,1,0,0,0,0|1,0,1]=4 4050 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,1,0,0,0,0|1,0,1]=4 4051 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,1,0,0,0,0|1,1,0]=4 4052 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,1,0,0,0,0|1,0,1]=4 4053 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,1,0,0,0,0|1,0,1]=4 4054 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,1,0,0,0,0|1,0,1]=4 4055 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,1,0,0,0,0|0,1,1]=4 4056 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,1,0,0,0,0|0,1,1]=4 4057 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,1,0,0,0,0|0,1,1]=4 4058 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,1,0,0,0,0|0,1,1]=4 4059 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,1,0,0,0,0|1,0,1]=4 4060 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,1,0,0,0,0|1,0,1]=4 4061 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [1,1,0,0,0,0|1,0,1]=4 4062 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,1,0,0,0,0|1,0,1]=4 4063 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,1,0,0,0,0|0,1,1]=4 4064 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,1,0,0,0,0|0,1,1]=4 4065 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,1,0,0,0,0|1,0,1]=4 4066 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,1,0,0,0,0|0,0,1]=3 4067 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [1,1,0,0,0,0|0,0,2]=4 4068 B8R0.6 COC(C)COCCF 34a_100000690652_100011217306 [1,1,0,0,0,0|1,0,0]=3 4069 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [1,1,0,0,0,0|0,0,0]=2 4070 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [1,1,0,0,0,0|0,1,0]=3 4071 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [1,1,0,0,0,0|2,0,0]=4 4072 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [1,1,0,0,0,0|2,0,0]=4 4073 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [1,1,0,0,0,0|0,2,0]=4 4074 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [1,1,0,0,0,0|0,2,0]=4 4075 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|1,0,1]=4 4076 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,1,0,0,0,0|0,0,1]=3 4077 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,1,0,0,0,0|0,0,0]=2 4078 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,1,0,0,0,0|0,0,0]=2 4079 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,1,0,0,0,0|0,0,0]=2 4080 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,1,0,0,0,0|0,0,0]=2 4081 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 4082 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,1,0,0,0,0|1,0,1]=4 4083 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,1,0,0,0,0|1,0,1]=4 4084 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,1,0,0,0,0|1,0,1]=4 4085 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [1,1,0,0,0,0|1,0,0]=3 4086 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [1,1,0,0,0,0|1,0,0]=3 4087 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,1,0,0,0,0|0,0,1]=3 4088 B8R0.6 COCCOC(C)C#N 34a_100011218135_100011201679 [1,1,0,0,0,0|1,0,1]=4 4089 B8R0.6 COCCOC(C)CF 34a_100016041109_100011201679 [1,1,0,0,0,0|1,0,0]=3 4090 B8R0.6 COCCOC(C)CF 7a_100016041109_100000233755 [1,1,0,0,0,0|1,0,0]=3 4091 B8R0.6 COCCOC(C)CN 34a_100000210904_100011201679 [1,1,0,0,0,0|1,0,0]=3 4092 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [1,1,0,0,0,0|0,0,0]=2 4093 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [1,1,0,0,0,0|0,1,0]=3 4094 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [1,1,0,0,0,0|0,1,0]=3 4095 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [1,1,0,0,0,0|0,1,0]=3 4096 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [1,1,0,0,0,0|0,1,0]=3 4097 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [1,1,0,0,0,0|0,1,0]=3 4098 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [1,1,0,0,0,0|1,0,0]=3 4099 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [1,1,0,0,0,0|2,0,0]=4 4100 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,1,0,0,0,0|0,1,1]=4 4101 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,1,0,0,0,0|0,1,1]=4 4102 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [1,1,0,0,0,0|2,0,0]=4 4103 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [1,1,0,0,0,0|2,0,0]=4 4104 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [1,1,0,0,0,0|2,0,0]=4 4105 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [1,1,0,0,0,0|2,0,0]=4 4106 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [1,1,0,0,0,0|2,0,0]=4 4107 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [1,1,0,0,0,0|2,0,0]=4 4108 B8R0.6 CO[C@H](C)CNCCF 2230a_100020591295_100011217306 [1,1,0,0,0,0|2,0,0]=4 4109 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [1,1,0,0,0,0|1,0,0]=3 4110 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [1,1,0,0,0,0|1,1,0]=4 4111 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [1,1,0,0,0,0|1,1,0]=4 4112 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [1,1,0,0,0,0|1,1,0]=4 4113 B8R0.6 CSCCOC(C)CF 34a_100016041109_100000212216 [1,1,0,0,0,0|1,1,0]=4 4114 B8R0.6 CSCCOC(C)CF 7a_100016041109_100000212216 [1,1,0,0,0,0|1,1,0]=4 4115 B8R0.6 CSCCOC(C)CN 34a_100000210904_100000212216 [1,1,0,0,0,0|1,1,0]=4 4116 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [1,1,0,0,0,0|0,1,0]=3 4117 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [1,1,0,0,0,0|0,1,0]=3 4118 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [1,1,0,0,0,0|0,2,0]=4 4119 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [1,1,0,0,0,0|0,2,0]=4 4120 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [1,1,0,0,0,0|0,2,0]=4 4121 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 4122 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [1,1,0,0,0,0|2,0,0]=4 4123 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [1,1,0,0,0,0|2,0,0]=4 4124 B8R0.7 C#CCCOCC(C)Br 34a_100012180447_100000688953 [1,1,0,0,0,0|1,0,1]=4 4125 B8R0.7 C#CCCOCC(C)C 34a_100000210257_100000688953 [1,1,0,0,0,0|1,0,1]=4 4126 B8R0.7 C#CCCOCC(C)C 34a_100011215631_100000210624 [1,1,0,0,0,0|1,0,1]=4 4127 B8R0.7 C#CCCOCC(C)F 34a_100015925927_100000688953 [1,1,0,0,0,0|1,0,1]=4 4128 B8R0.7 C#CCCOCC(C)O 34a_100011215631_100011218427 [1,1,0,0,0,0|1,0,1]=4 4129 B8R0.7 C#CCCOC[C@@H](C)Cl 34a_100016084084_100000688953 [1,1,0,0,0,0|1,0,1]=4 4130 B8R0.7 C#CCCOC[C@@H](C)N 34a_100000737577_100000688953 [1,1,0,0,0,0|1,0,1]=4 4131 B8R0.7 C#CCCOC[C@@H](C)O 34a_100011215631_100009817552 [1,1,0,0,0,0|1,0,1]=4 4132 B8R0.7 C/C=C/COCC(C)Br 34a_100012180447_100102629194 [1,1,0,0,0,0|1,0,1]=4 4133 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [1,1,0,0,0,0|1,0,1]=4 4134 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [1,1,0,0,0,0|1,0,1]=4 4135 B8R0.7 C/C=C/COCC(C)F 34a_100015925927_100102629194 [1,1,0,0,0,0|1,0,1]=4 4136 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,1,0,0,0,0|1,0,1]=4 4137 B8R0.7 C/C=C/COC[C@@H](C)Cl 34a_100016084084_100102629194 [1,1,0,0,0,0|1,0,1]=4 4138 B8R0.7 C/C=C/COC[C@@H](C)N 34a_100000737577_100102629194 [1,1,0,0,0,0|1,0,1]=4 4139 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,1,0,0,0,0|1,0,1]=4 4140 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,1,0,0,0,0|1,0,1]=4 4141 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [1,1,0,0,0,0|1,0,1]=4 4142 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [1,1,0,0,0,0|2,0,0]=4 4143 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [1,1,0,0,0,0|2,0,0]=4 4144 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [1,1,0,0,0,0|2,0,0]=4 4145 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|1,0,0]=3 4146 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|1,0,0]=3 4147 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [1,1,0,0,0,0|2,0,0]=4 4148 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [1,1,0,0,0,0|2,0,0]=4 4149 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [1,1,0,0,0,0|1,0,0]=3 4150 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [1,1,0,0,0,0|1,1,0]=4 4151 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|1,1,0]=4 4152 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|1,1,0]=4 4153 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [1,1,0,0,0,0|1,1,0]=4 4154 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [1,1,0,0,0,0|1,1,0]=4 4155 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [1,1,0,0,0,0|1,1,0]=4 4156 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [1,1,0,0,0,0|1,1,0]=4 4157 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [1,1,0,0,0,0|1,0,1]=4 4158 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 4159 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|1,0,1]=4 4160 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 4161 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [1,1,0,0,0,0|0,0,1]=3 4162 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [1,1,0,0,0,0|0,0,1]=3 4163 B8R0.7 C=C(C)COCCON 34a_100000700252_100000748629 [1,1,0,0,0,0|1,0,1]=4 4164 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [1,1,0,0,0,0|0,1,1]=4 4165 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [1,1,0,0,0,0|0,1,1]=4 4166 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [1,1,0,0,0,0|0,1,1]=4 4167 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [1,1,0,0,0,0|0,1,1]=4 4168 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [1,1,0,0,0,0|0,1,1]=4 4169 B8R0.7 C=C(F)COCCOC 34a_100000210237_100009893438 [1,1,0,0,0,0|0,0,2]=4 4170 B8R0.7 C=C(F)COCCOC 34a_200010262243_100011201679 [1,1,0,0,0,0|0,0,2]=4 4171 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [1,1,0,0,0,0|1,0,1]=4 4172 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [1,1,0,0,0,0|1,0,1]=4 4173 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [1,1,0,0,0,0|1,0,1]=4 4174 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [1,1,0,0,0,0|1,0,1]=4 4175 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,1,0,0,0,0|1,0,1]=4 4176 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [1,1,0,0,0,0|1,0,1]=4 4177 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [1,1,0,0,0,0|1,0,1]=4 4178 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,1,0,0,0,0|1,0,1]=4 4179 B8R0.7 CC#CCOCC(C)Br 34a_100012180447_100000748600 [1,1,0,0,0,0|1,0,1]=4 4180 B8R0.7 CC#CCOCC(C)C 34a_100000210257_100000748600 [1,1,0,0,0,0|1,0,1]=4 4181 B8R0.7 CC#CCOCC(C)C 34a_100000761923_100000210624 [1,1,0,0,0,0|1,0,1]=4 4182 B8R0.7 CC#CCOCC(C)F 34a_100015925927_100000748600 [1,1,0,0,0,0|1,0,1]=4 4183 B8R0.7 CC#CCOCC(C)O 34a_100000761923_100011218427 [1,1,0,0,0,0|1,0,1]=4 4184 B8R0.7 CC#CCOC[C@@H](C)Cl 34a_100016084084_100000748600 [1,1,0,0,0,0|1,0,1]=4 4185 B8R0.7 CC#CCOC[C@@H](C)N 34a_100000737577_100000748600 [1,1,0,0,0,0|1,0,1]=4 4186 B8R0.7 CC#CCOC[C@@H](C)O 34a_100000761923_100009817552 [1,1,0,0,0,0|1,0,1]=4 4187 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [1,1,0,0,0,0|1,0,1]=4 4188 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|2,0,0]=4 4189 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|2,0,0]=4 4190 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,1,0]=4 4191 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,1,0]=4 4192 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 4193 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 4194 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|1,0,0]=3 4195 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|1,0,0]=3 4196 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|1,0,0]=3 4197 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|1,0,0]=3 4198 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|1,1,0]=4 4199 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|1,1,0]=4 4200 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|2,0,0]=4 4201 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,1,0,0,0,0|2,0,0]=4 4202 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,1,0,0,0,0|1,0,0]=3 4203 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [1,1,0,0,0,0|2,0,0]=4 4204 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,1,0,0,0,0|2,0,0]=4 4205 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|1,0,0]=3 4206 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|1,0,0]=3 4207 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,1,0]=4 4208 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,1,0]=4 4209 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|2,0,0]=4 4210 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|2,0,0]=4 4211 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|2,0,0]=4 4212 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,1,0,0,0,0|2,0,0]=4 4213 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,1,0,0,0,0|2,0,0]=4 4214 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,1,0,0,0,0|2,0,0]=4 4215 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,1,0,0,0,0|2,0,0]=4 4216 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|1,0,0]=3 4217 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|1,0,0]=3 4218 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,1,0,0,0,0|1,1,0]=4 4219 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,1,0,0,0,0|1,1,0]=4 4220 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,1,0,0,0,0|1,0,0]=3 4221 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,1,0,0,0,0|2,0,0]=4 4222 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,1,0,0,0,0|2,0,0]=4 4223 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,1,0,0,0,0|2,0,0]=4 4224 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,1,0,0,0,0|2,0,0]=4 4225 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,1,0,0,0,0|2,0,0]=4 4226 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,1,0,0,0,0|2,0,0]=4 4227 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [1,1,0,0,0,0|1,0,0]=3 4228 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,1,0,0,0,0|0,0,0]=2 4229 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,1,0,0,0,0|0,0,0]=2 4230 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,1,0,0,0,0|0,1,0]=3 4231 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,1,0,0,0,0|0,1,0]=3 4232 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,1,0,0,0,0|2,0,0]=4 4233 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [1,1,0,0,0,0|2,0,0]=4 4234 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,1,0,0,0,0|2,0,0]=4 4235 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,1,0,0,0,0|2,0,0]=4 4236 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,1,0,0,0,0|2,0,0]=4 4237 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,1,0,0,0,0|2,0,0]=4 4238 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,1,0,0,0,0|2,0,0]=4 4239 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,1,0,0,0,0|2,0,0]=4 4240 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,1,0,0,0,0|1,1,0]=4 4241 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,1,0,0,0,0|1,1,0]=4 4242 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [1,1,0,0,0,0|2,0,0]=4 4243 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [1,1,0,0,0,0|2,0,0]=4 4244 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [1,1,0,0,0,0|2,0,0]=4 4245 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,1,0,0,0,0|2,0,0]=4 4246 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [1,1,0,0,0,0|1,0,0]=3 4247 B8R0.7 CC=CCOCC(C)Br 34a_100012180447_100000070051 [1,1,0,0,0,0|1,0,1]=4 4248 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [1,1,0,0,0,0|1,0,1]=4 4249 B8R0.7 CC=CCOCC(C)F 34a_100015925927_100000070051 [1,1,0,0,0,0|1,0,1]=4 4250 B8R0.7 CC=CCOC[C@@H](C)Cl 34a_100016084084_100000070051 [1,1,0,0,0,0|1,0,1]=4 4251 B8R0.7 CC=CCOC[C@@H](C)N 34a_100000737577_100000070051 [1,1,0,0,0,0|1,0,1]=4 4252 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|2,0,0]=4 4253 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|2,0,0]=4 4254 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|2,0,0]=4 4255 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|2,0,0]=4 4256 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|2,0,0]=4 4257 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|2,0,0]=4 4258 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|2,0,0]=4 4259 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|2,0,0]=4 4260 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|2,0,0]=4 4261 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|2,0,0]=4 4262 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|2,0,0]=4 4263 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|2,0,0]=4 4264 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|2,0,0]=4 4265 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|2,0,0]=4 4266 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|2,0,0]=4 4267 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|2,0,0]=4 4268 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|2,0,0]=4 4269 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|2,0,0]=4 4270 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|2,0,0]=4 4271 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|2,0,0]=4 4272 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,1]=4 4273 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,1]=4 4274 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,1]=4 4275 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,1]=4 4276 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,1,0,0,0,0|1,0,0]=3 4277 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|1,0,0]=3 4278 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|1,0,0]=3 4279 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|1,0,0]=3 4280 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,1,0,0,0,0|1,0,0]=3 4281 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,0]=3 4282 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,0]=3 4283 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [1,1,0,0,0,0|2,0,0]=4 4284 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [1,1,0,0,0,0|2,0,0]=4 4285 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [1,1,0,0,0,0|2,0,0]=4 4286 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,1,0,0,0,0|2,0,0]=4 4287 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,1,0,0,0,0|2,0,0]=4 4288 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,1,0,0,0,0|1,0,0]=3 4289 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,1,0,0,0,0|1,0,0]=3 4290 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,0]=3 4291 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,0]=3 4292 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|1,1,0]=4 4293 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|1,1,0]=4 4294 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,1,0]=4 4295 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,1,0]=4 4296 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,1,0]=4 4297 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,1,0]=4 4298 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|2,0,0]=4 4299 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|2,0,0]=4 4300 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|1,0,1]=4 4301 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|1,0,1]=4 4302 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,0]=3 4303 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 4304 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 4305 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|2,0,0]=4 4306 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|2,0,0]=4 4307 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|2,0,0]=4 4308 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,1,0,0,0,0|1,0,0]=3 4309 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|1,0,0]=3 4310 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|1,0,0]=3 4311 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|1,0,0]=3 4312 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,0]=3 4313 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [1,1,0,0,0,0|2,0,0]=4 4314 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,1,0,0,0,0|1,0,0]=3 4315 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,1,0,0,0,0|1,0,0]=3 4316 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,0]=3 4317 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|2,0,0]=4 4318 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,1,0,0,0,0|2,0,0]=4 4319 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,1,0]=4 4320 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,1,0]=4 4321 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|1,1,0]=4 4322 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|1,1,0]=4 4323 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,1,0]=4 4324 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,1,0]=4 4325 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [1,1,0,0,0,0|1,1,0]=4 4326 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,1,0,0,0,0|2,0,0]=4 4327 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,1,0,0,0,0|2,0,0]=4 4328 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,1,0,0,0,0|2,0,0]=4 4329 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,1,0,0,0,0|2,0,0]=4 4330 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,1,0,0,0,0|1,1,0]=4 4331 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [1,1,0,0,0,0|1,0,0]=3 4332 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [1,1,0,0,0,0|1,0,0]=3 4333 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [1,1,0,0,0,0|1,0,0]=3 4334 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [1,1,0,0,0,0|1,0,0]=3 4335 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [1,1,0,0,0,0|1,1,0]=4 4336 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,1,0,0,0,0|2,0,0]=4 4337 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,1,0,0,0,0|2,0,0]=4 4338 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [1,1,0,0,0,0|1,0,0]=3 4339 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [1,1,0,0,0,0|1,0,0]=3 4340 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|2,0,0]=4 4341 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|2,0,0]=4 4342 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|2,0,0]=4 4343 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|2,0,0]=4 4344 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|2,0,0]=4 4345 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|1,0,1]=4 4346 B8R0.7 CNCCOCC(F)F 2230a_106832991635_200012177212 [1,1,0,0,0,0|2,0,0]=4 4347 B8R0.7 CNCCOCC(F)F 34a_100102657272_200012177212 [1,1,0,0,0,0|2,0,0]=4 4348 B8R0.7 CNCCOCC(F)F 7a_106832991635_200012177212 [1,1,0,0,0,0|2,0,0]=4 4349 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,1,0,0,0,0|2,0,0]=4 4350 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,0]=3 4351 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,0]=3 4352 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|2,0,0]=4 4353 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|2,0,0]=4 4354 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|1,0,0]=3 4355 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|1,0,0]=3 4356 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|1,0,0]=3 4357 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,1,0,0,0,0|1,0,0]=3 4358 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,1,0,0,0,0|1,0,0]=3 4359 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,1,0,0,0,0|2,0,0]=4 4360 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,1,0,0,0,0|2,0,0]=4 4361 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 4362 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 4363 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|2,0,0]=4 4364 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|2,0,0]=4 4365 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,1,0,0,0,0|2,0,0]=4 4366 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,1,0,0,0,0|2,0,0]=4 4367 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,1,0,0,0,0|2,0,0]=4 4368 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,1,0,0,0,0|2,0,0]=4 4369 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|2,0,0]=4 4370 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,1,0,0,0,0|2,0,0]=4 4371 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|2,0,0]=4 4372 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|2,0,0]=4 4373 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|2,0,0]=4 4374 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,1,0,0,0,0|2,0,0]=4 4375 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,1,0,0,0,0|2,0,0]=4 4376 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|1,0,1]=4 4377 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,1,0,0,0,0|1,0,0]=3 4378 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,1,0,0,0,0|1,0,0]=3 4379 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,1,0,0,0,0|1,0,0]=3 4380 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,1,0,0,0,0|1,0,0]=3 4381 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,1,0,0,0,0|1,0,0]=3 4382 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,1,0,0,0,0|1,0,0]=3 4383 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,1,0,0,0,0|1,0,0]=3 4384 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,1,0,0,0,0|1,0,0]=3 4385 B8R0.7 COCCNCC(F)F 2230a_100000209980_100011934356 [1,1,0,0,0,0|2,0,0]=4 4386 B8R0.7 COCCNCC(F)F 34a_100000765723_100011201679 [1,1,0,0,0,0|2,0,0]=4 4387 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,1,0,0,0,0|1,0,0]=3 4388 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|0,0,1]=3 4389 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|0,0,1]=3 4390 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,1,0,0,0,0|0,0,2]=4 4391 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,1,0,0,0,0|0,0,2]=4 4392 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|0,0,1]=3 4393 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,1,0,0,0,0|0,0,2]=4 4394 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [1,1,0,0,0,0|0,0,0]=2 4395 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,1,0,0,0,0|0,0,0]=2 4396 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,1,0,0,0,0|0,0,0]=2 4397 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,1,0,0,0,0|0,0,0]=2 4398 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,1,0,0,0,0|0,0,0]=2 4399 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [1,1,0,0,0,0|0,0,0]=2 4400 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,1,0,0,0,0|0,0,0]=2 4401 B8R0.7 COCCOCC(F)F 34a_100000210237_100011934356 [1,1,0,0,0,0|1,0,0]=3 4402 B8R0.7 COCCOCC(F)F 34a_100000704375_200000210301 [1,1,0,0,0,0|1,0,0]=3 4403 B8R0.7 COCCOCC(F)F 34a_100000743014_100011201679 [1,1,0,0,0,0|1,0,0]=3 4404 B8R0.7 COCCOCC(F)F 34a_100138415774_200012177212 [1,1,0,0,0,0|1,0,0]=3 4405 B8R0.7 COCCOCC(F)F 7a_100000704375_200000210301 [1,1,0,0,0,0|1,0,0]=3 4406 B8R0.7 COCCOCN(C)C 2230a_100102631434_100000231047 [1,1,0,0,0,0|1,0,0]=3 4407 B8R0.7 COCCOCN(C)C 269982a_100102631434_100000231047 [1,1,0,0,0,0|1,0,0]=3 4408 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [1,1,0,0,0,0|0,0,0]=2 4409 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [1,1,0,0,0,0|0,0,0]=2 4410 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,1,0,0,0,0|0,0,0]=2 4411 B8R0.7 COCCOC[N+](=O)[O-] 34a_100000210237_100000761209 [1,1,0,0,0,0|1,0,1]=4 4412 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,1,0,0,0,0|0,1,0]=3 4413 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,1,0,0,0,0|0,1,0]=3 4414 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,1,0,0,0,0|0,1,0]=3 4415 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,1,0,0,0,0|0,1,0]=3 4416 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,1,0,0,0,0|0,1,0]=3 4417 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,1,0,0,0,0|0,1,0]=3 4418 B8R0.7 COCCSCC(F)F 62a_100000233755_100011934356 [1,1,0,0,0,0|1,1,0]=4 4419 B8R0.7 COCCSCC(F)F 62a_100011934356_100000233755 [1,1,0,0,0,0|1,1,0]=4 4420 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,1,0,0,0,0|0,1,0]=3 4421 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,1,0,0,0,0|0,1,0]=3 4422 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [1,1,0,0,0,0|2,0,0]=4 4423 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [1,1,0,0,0,0|1,0,1]=4 4424 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|1,1,0]=4 4425 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|1,1,0]=4 4426 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,1,0,0,0,0|1,1,0]=4 4427 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,1,0,0,0,0|1,1,0]=4 4428 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [1,1,0,0,0,0|1,1,0]=4 4429 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [1,1,0,0,0,0|1,1,0]=4 4430 B8R0.7 COCSCCN(C)C 62a_100000766300_100000755713 [1,1,0,0,0,0|1,1,0]=4 4431 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,1,0]=4 4432 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,1,0]=4 4433 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,1,0]=4 4434 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,1,0]=4 4435 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,1,0,0,0,0|1,1,0]=4 4436 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [1,1,0,0,0,0|1,1,0]=4 4437 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [1,1,0,0,0,0|1,1,0]=4 4438 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [1,1,0,0,0,0|1,1,0]=4 4439 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [1,1,0,0,0,0|1,1,0]=4 4440 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,1,0,0,0,0|1,1,0]=4 4441 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,1,0,0,0,0|1,1,0]=4 4442 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,1,0,0,0,0|1,1,0]=4 4443 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,1,0,0,0,0|1,1,0]=4 4444 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|0,1,1]=4 4445 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [1,1,0,0,0,0|0,1,0]=3 4446 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,1,0,0,0,0|0,1,0]=3 4447 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,1,0,0,0,0|0,1,0]=3 4448 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,1,0,0,0,0|0,1,0]=3 4449 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [1,1,0,0,0,0|0,1,0]=3 4450 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [1,1,0,0,0,0|0,1,0]=3 4451 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [1,1,0,0,0,0|0,1,0]=3 4452 B8R0.7 CSCCOCC(F)F 34a_100000230434_100011934356 [1,1,0,0,0,0|1,1,0]=4 4453 B8R0.7 CSCCOCC(F)F 34a_100000743014_100000212216 [1,1,0,0,0,0|1,1,0]=4 4454 B8R0.7 CSCCOCC(F)F 62a_200000210301_200012177212 [1,1,0,0,0,0|1,1,0]=4 4455 B8R0.7 CSCCOCC(F)F 62a_200012177212_200000210301 [1,1,0,0,0,0|1,1,0]=4 4456 B8R0.7 CSCCOCC(F)F 7a_100000230434_100011934356 [1,1,0,0,0,0|1,1,0]=4 4457 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [1,1,0,0,0,0|0,1,0]=3 4458 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [1,1,0,0,0,0|0,1,0]=3 4459 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [1,1,0,0,0,0|0,1,0]=3 4460 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [1,1,0,0,0,0|0,1,0]=3 4461 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [1,1,0,0,0,0|0,2,0]=4 4462 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [1,1,0,0,0,0|0,2,0]=4 4463 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [1,1,0,0,0,0|0,2,0]=4 4464 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [1,1,0,0,0,0|0,2,0]=4 4465 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [1,1,0,0,0,0|0,2,0]=4 4466 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [1,1,0,0,0,0|0,2,0]=4 4467 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|1,1,0]=4 4468 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [1,1,0,0,0,0|1,1,0]=4 4469 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,1,0,0,0,0|1,1,0]=4 4470 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [1,1,0,0,0,0|1,1,0]=4 4471 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [1,1,0,0,0,0|2,0,0]=4 4472 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,1,0,0,0,0|2,0,0]=4 4473 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,1,0,0,0,0|2,0,0]=4 4474 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|1,0,0]=3 4475 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [1,1,0,0,0,0|2,0,0]=4 4476 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,1,0,0,0,0|2,0,0]=4 4477 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [1,1,0,0,0,0|2,0,0]=4 4478 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [1,1,0,0,0,0|2,0,0]=4 4479 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [1,1,0,0,0,0|2,0,0]=4 4480 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,1,0,0,0,0|2,0,0]=4 4481 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [1,1,0,0,0,0|1,0,0]=3 4482 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 4483 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 4484 B8R0.7 NOCCOCC(F)F 34a_100000700252_100011934356 [1,1,0,0,0,0|2,0,0]=4 4485 B8R0.7 OCCOCCC(F)F 34a_100103093639_100000211926 [1,1,0,0,0,0|2,0,0]=4 4486 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|2,0,0]=4 4487 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|1,0,0]=3 4488 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|1,0,1]=4 4489 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|2,0,0]=4 4490 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|2,0,0]=4 4491 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,1,0,0,0,0|2,0,0]=4 4492 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,1,0,0,0,0|2,0,0]=4 4493 B8R0.7 [13CH3]OCCOCC(F)F 34a_100000704375_200025704644 [1,1,0,0,0,0|1,0,0]=3 4494 B8R0.7 [13CH3]OCCOCC(F)F 7a_100000704375_200025704644 [1,1,0,0,0,0|1,0,0]=3 4495 B8R0.7 [13CH3]SCCOCC(F)F 62a_200012177212_200025704644 [1,1,0,0,0,0|1,1,0]=4 4496 B8R0.7 [13CH3]SCCOCC(F)F 62a_200025704644_200012177212 [1,1,0,0,0,0|1,1,0]=4 4497 B10R0.3 C=C(Br)CCOC(C)COC 34a_100009813270_100000765312 [0,2,0,0,0,0|1,0,1]=4 4498 B10R0.3 C=C(C)CCN[C@H](C)COC 2230a_100000764878_100000730704 [0,2,0,0,0,0|2,0,0]=4 4499 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,2,0,0,0,0|2,0,0]=4 4500 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,2,0,0,0,0|2,0,0]=4 4501 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,2,0,0,0,0|2,0,0]=4 4502 B10R0.3 C=C(C)CCOC(C)COC 34a_100000764851_100000765312 [0,2,0,0,0,0|1,0,0]=3 4503 B10R0.3 C=C(C)CCO[C@H](C)COC 34a_100011934205_100000730704 [0,2,0,0,0,0|1,0,0]=3 4504 B10R0.3 C=C(C)CCSC(C)COC 62a_100000730704_100000765312 [0,2,0,0,0,0|1,1,0]=4 4505 B10R0.3 C=C(C)CCSC(C)COC 62a_100000765312_100000730704 [0,2,0,0,0,0|1,1,0]=4 4506 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 4507 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 4508 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|2,0,0]=4 4509 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [0,2,0,0,0,0|2,0,0]=4 4510 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,2,0,0,0,0|2,0,0]=4 4511 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,2,0,0,0,0|2,0,0]=4 4512 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,2,0,0,0,0|2,0,0]=4 4513 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,2,0,0,0,0|2,0,0]=4 4514 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,2,0,0,0,0|2,0,0]=4 4515 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,2,0,0,0,0|2,0,0]=4 4516 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [0,2,0,0,0,0|2,0,0]=4 4517 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [0,2,0,0,0,0|2,0,0]=4 4518 B10R0.3 COCC(C)NCCC(C)C 270004a_100000210545_100000749346 [0,2,0,0,0,0|2,0,0]=4 4519 B10R0.3 COCC(C)NCCC(C)O 2230a_200000755665_100000765312 [0,2,0,0,0,0|2,0,0]=4 4520 B10R0.3 COCC(C)NCCC(C)O 270004a_200000755665_100000749346 [0,2,0,0,0,0|2,0,0]=4 4521 B10R0.3 COCC(C)NCCN(C)C 270004a_100000210585_100000749346 [0,2,0,0,0,0|2,0,0]=4 4522 B10R0.3 COCC(C)OCC=C(C)C 34a_100000753907_100000765312 [0,2,0,0,0,0|1,0,1]=4 4523 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,2,0,0,0,0|1,0,0]=3 4524 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,2,0,0,0,0|1,0,0]=3 4525 B10R0.3 COCC(C)OCCC(=O)N 34a_100000757172_100000765312 [0,2,0,0,0,0|2,0,0]=4 4526 B10R0.3 COCC(C)OCCC(=O)N 7a_100000757172_100000765312 [0,2,0,0,0,0|2,0,0]=4 4527 B10R0.3 COCC(C)OCCC(C)Br 34a_100009893172_100000765312 [0,2,0,0,0,0|1,0,0]=3 4528 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [0,2,0,0,0,0|1,0,0]=3 4529 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [0,2,0,0,0,0|1,0,0]=3 4530 B10R0.3 COCC(C)OCCC(F)F 34a_100103093639_100000765312 [0,2,0,0,0,0|2,0,0]=4 4531 B10R0.3 COCC(C)OCC[C@@H](C)N 34a_100000706166_100000765312 [0,2,0,0,0,0|1,0,0]=3 4532 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,2,0,0,0,0|1,1,0]=4 4533 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,2,0,0,0,0|1,1,0]=4 4534 B10R0.3 COCC(C)SCCC(C)C 62a_100000210312_100000765312 [0,2,0,0,0,0|1,1,0]=4 4535 B10R0.3 COCC(C)SCCC(C)C 62a_100000765312_100000210312 [0,2,0,0,0,0|1,1,0]=4 4536 B10R0.3 COCC(C)SCCC(C)O 62a_100000765312_100012276601 [0,2,0,0,0,0|1,1,0]=4 4537 B10R0.3 COCC(C)SCCC(C)O 62a_100012276601_100000765312 [0,2,0,0,0,0|1,1,0]=4 4538 B10R0.3 COCC(C)SCCN(C)C 62a_100000765312_100000755713 [0,2,0,0,0,0|1,1,0]=4 4539 B10R0.3 COC[C@@H](C)NCCC(C)C 2230a_100000764878_100000210312 [0,2,0,0,0,0|2,0,0]=4 4540 B10R0.3 COC[C@@H](C)NCCC(C)C 269862a_100000764878_100000185833 [0,2,0,0,0,0|2,0,0]=4 4541 B10R0.3 COC[C@@H](C)NCCC(C)O 2230a_100000764878_100012276601 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.3 COC[C@@H](C)OCC=C(C)C 34a_100011934205_100000761012 [0,2,0,0,0,0|1,0,1]=4 4543 B10R0.3 COC[C@@H](C)OCCC(=O)N 34a_100011934205_100000731001 [0,2,0,0,0,0|2,0,0]=4 4544 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [0,2,0,0,0,0|1,0,0]=3 4545 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [0,2,0,0,0,0|1,0,0]=3 4546 B10R0.3 COC[C@@H](C)OCOC(=O)C 34a_100011934205_100009813279 [0,2,0,0,0,0|2,0,0]=4 4547 B10R0.3 COC[C@@H](C)OCOC(C)C 34a_100011934205_100000709892 [0,2,0,0,0,0|2,0,0]=4 4548 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [0,2,0,0,0,0|1,0,1]=4 4549 B10R0.4 C#CCCOCCOC(C)C 34a_100000211219_100000688953 [0,2,0,0,0,0|1,0,1]=4 4550 B10R0.4 C#CCCOCCOC(C)C 34a_100011215631_100000211751 [0,2,0,0,0,0|1,0,1]=4 4551 B10R0.4 C#CCCOCCOC(C)C 7a_100000211219_100000688953 [0,2,0,0,0,0|1,0,1]=4 4552 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [0,2,0,0,0,0|2,0,0]=4 4553 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,2,0,0,0,0|2,0,0]=4 4554 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,2,0,0,0,0|1,0,1]=4 4555 B10R0.4 C/C=C/COCCOC(C)C 34a_100000211219_100102629194 [0,2,0,0,0,0|1,0,1]=4 4556 B10R0.4 C/C=C/COCCOC(C)C 34a_100016270725_100000211751 [0,2,0,0,0,0|1,0,1]=4 4557 B10R0.4 C/C=C/COCCOC(C)C 7a_100000211219_100102629194 [0,2,0,0,0,0|1,0,1]=4 4558 B10R0.4 C=C(Br)CCOCCCOC 34a_100009813270_100000740836 [0,2,0,0,0,0|1,0,1]=4 4559 B10R0.4 C=C(Br)CCOCCOCC 34a_100009813270_100000210147 [0,2,0,0,0,0|1,0,1]=4 4560 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,2,0,0,0,0|2,0,0]=4 4561 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,2,0,0,0,0|2,0,0]=4 4562 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,2,0,0,0,0|2,0,0]=4 4563 B10R0.4 C=C(C)CCOCC/C=C/C 34a_100016278192_100000730704 [0,2,0,0,0,0|2,0,0]=4 4564 B10R0.4 C=C(C)CCOCCC#CC 34a_100000750427_100000730704 [0,2,0,0,0,0|2,0,0]=4 4565 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,2,0,0,0,0|2,0,0]=4 4566 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,2,0,0,0,0|2,0,0]=4 4567 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,2,0,0,0,0|2,0,0]=4 4568 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,2,0,0,0,0|2,0,0]=4 4569 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,2,0,0,0,0|2,0,0]=4 4570 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,2,0,0,0,0|2,0,0]=4 4571 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,2,0,0,0,0|2,0,0]=4 4572 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,2,0,0,0,0|2,0,0]=4 4573 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,2,0,0,0,0|2,0,0]=4 4574 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,2,0,0,0,0|2,0,0]=4 4575 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,2,0,0,0,0|2,0,0]=4 4576 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,2,0,0,0,0|2,0,0]=4 4577 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,2,0,0,0,0|2,0,0]=4 4578 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,2,0,0,0,0|1,0,0]=3 4579 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,2,0,0,0,0|1,0,0]=3 4580 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,2,0,0,0,0|1,1,0]=4 4581 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,2,0,0,0,0|1,1,0]=4 4582 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,2,0,0,0,0|1,0,0]=3 4583 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,2,0,0,0,0|1,0,0]=3 4584 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,2,0,0,0,0|1,0,0]=3 4585 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,2,0,0,0,0|1,1,0]=4 4586 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,2,0,0,0,0|1,1,0]=4 4587 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,2,0,0,0,0|1,1,0]=4 4588 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,2,0,0,0,0|1,1,0]=4 4589 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,2,0,0,0,0|1,1,0]=4 4590 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,2,0,0,0,0|1,1,0]=4 4591 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,2,0,0,0,0|1,1,0]=4 4592 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,2,0,0,0,0|2,0,0]=4 4593 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,2,0,0,0,0|2,0,0]=4 4594 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,2,0,0,0,0|2,0,0]=4 4595 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,2,0,0,0,0|2,0,0]=4 4596 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,2,0,0,0,0|2,0,0]=4 4597 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,2,0,0,0,0|2,0,0]=4 4598 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,2,0,0,0,0|2,0,0]=4 4599 B10R0.4 C=C(C)CSCOCCOC 62a_100000231047_100000211660 [0,2,0,0,0,0|1,0,0]=3 4600 B10R0.4 C=C(C)CSCOCCOC 62a_100000748629_100000231047 [0,2,0,0,0,0|1,0,0]=3 4601 B10R0.4 C=C(F)CSCOCCOC 62a_100000042424_100000231047 [0,2,0,0,0,0|1,0,1]=4 4602 B10R0.4 C=C(F)CSCOCCOC 62a_100000231047_100000042424 [0,2,0,0,0,0|1,0,1]=4 4603 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,2,0,0,0,0|1,0,1]=4 4604 B10R0.4 C=CCCOCCOC(C)C 34a_100000211219_100000754431 [0,2,0,0,0,0|1,0,1]=4 4605 B10R0.4 C=CCCOCCOC(C)C 34a_100011205117_100000211751 [0,2,0,0,0,0|1,0,1]=4 4606 B10R0.4 C=CCCOCCOC(C)C 7a_100000211219_100000754431 [0,2,0,0,0,0|1,0,1]=4 4607 B10R0.4 C=COCCOCCC(=C)C 34a_100000033082_100000730704 [0,2,0,0,0,0|1,0,1]=4 4608 B10R0.4 C=COCCOCCC(=C)C 34a_100000764851_100000039644 [0,2,0,0,0,0|1,0,1]=4 4609 B10R0.4 C=COCCOCCC(=O)C 34a_100000759926_100000039644 [0,2,0,0,0,0|1,0,1]=4 4610 B10R0.4 C=COCCOCCC(=O)C 7a_100000759926_100000039644 [0,2,0,0,0,0|1,0,1]=4 4611 B10R0.4 C=COCCOCCC(C)Br 34a_100009893172_100000039644 [0,2,0,0,0,0|1,0,1]=4 4612 B10R0.4 C=COCCOCCC(C)C 34a_100000033082_100000210312 [0,2,0,0,0,0|1,0,1]=4 4613 B10R0.4 C=COCCOCCC(C)C 34a_100000210254_100000039644 [0,2,0,0,0,0|1,0,1]=4 4614 B10R0.4 C=COCCOCCC(C)C 7a_100000210254_100000039644 [0,2,0,0,0,0|1,0,1]=4 4615 B10R0.4 C=COCCOCCC(C)O 34a_100000033082_100012276601 [0,2,0,0,0,0|1,0,1]=4 4616 B10R0.4 C=COCCOCC[C@@H](C)N 34a_100000706166_100000039644 [0,2,0,0,0,0|1,0,1]=4 4617 B10R0.4 CC#CCCOCCC(C)C 34a_100000750427_100000210312 [0,2,0,0,0,0|2,0,0]=4 4618 B10R0.4 CC#CCCOCCC(C)O 34a_100000750427_100012276601 [0,2,0,0,0,0|2,0,0]=4 4619 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [0,2,0,0,0,0|1,0,1]=4 4620 B10R0.4 CC#CCOCCOC(C)C 34a_100000211219_100000748600 [0,2,0,0,0,0|1,0,1]=4 4621 B10R0.4 CC#CCOCCOC(C)C 34a_100000761923_100000211751 [0,2,0,0,0,0|1,0,1]=4 4622 B10R0.4 CC#CCOCCOC(C)C 7a_100000211219_100000748600 [0,2,0,0,0,0|1,0,1]=4 4623 B10R0.4 CC(=CCCOCCON)C 34a_100000700252_100011217483 [0,2,0,0,0,0|2,0,0]=4 4624 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,2,0,0,0,0|2,0,0]=4 4625 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|2,0,0]=4 4626 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|2,0,0]=4 4627 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|2,0,0]=4 4628 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|2,0,0]=4 4629 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|2,0,0]=4 4630 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|2,0,0]=4 4631 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,0,0,0,0|1,1,0]=4 4632 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,0,0,0,0|1,1,0]=4 4633 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,2,0,0,0,0|2,0,0]=4 4634 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,2,0,0,0,0|2,0,0]=4 4635 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,2,0,0,0,0|2,0,0]=4 4636 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,2,0,0,0,0|2,0,0]=4 4637 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,2,0,0,0,0|1,0,0]=3 4638 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,2,0,0,0,0|0,1,0]=3 4639 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,2,0,0,0,0|0,1,0]=3 4640 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [0,2,0,0,0,0|2,0,0]=4 4641 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,2,0,0,0,0|2,0,0]=4 4642 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,2,0,0,0,0|2,0,0]=4 4643 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,2,0,0,0,0|2,0,0]=4 4644 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [0,2,0,0,0,0|2,0,0]=4 4645 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [0,2,0,0,0,0|2,0,0]=4 4646 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [0,2,0,0,0,0|2,0,0]=4 4647 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [0,2,0,0,0,0|2,0,0]=4 4648 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [0,2,0,0,0,0|2,0,0]=4 4649 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [0,2,0,0,0,0|2,0,0]=4 4650 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [0,2,0,0,0,0|2,0,0]=4 4651 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [0,2,0,0,0,0|2,0,0]=4 4652 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [0,2,0,0,0,0|2,0,0]=4 4653 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [0,2,0,0,0,0|2,0,0]=4 4654 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,2,0,0,0,0|2,0,0]=4 4655 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,2,0,0,0,0|2,0,0]=4 4656 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 4657 B10R0.4 CC(C)OCCOCCC#N 7a_100000211219_100000184422 [0,2,0,0,0,0|2,0,0]=4 4658 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [0,2,0,0,0,0|2,0,0]=4 4659 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [0,2,0,0,0,0|2,0,0]=4 4660 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [0,2,0,0,0,0|2,0,0]=4 4661 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [0,2,0,0,0,0|2,0,0]=4 4662 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [0,2,0,0,0,0|2,0,0]=4 4663 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [0,2,0,0,0,0|2,0,0]=4 4664 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [0,2,0,0,0,0|2,0,0]=4 4665 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [0,2,0,0,0,0|2,0,0]=4 4666 B10R0.4 CC(C)OCCOCCON 34a_100000700252_100000211751 [0,2,0,0,0,0|1,0,0]=3 4667 B10R0.4 CC(C)SCCOCCON 34a_100000700252_100000730970 [0,2,0,0,0,0|1,1,0]=4 4668 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,2,0,0,0,0|2,0,0]=4 4669 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,2,0,0,0,0|2,0,0]=4 4670 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,2,0,0,0,0|2,0,0]=4 4671 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,2,0,0,0,0|2,0,0]=4 4672 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,2,0,0,0,0|2,0,0]=4 4673 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,2,0,0,0,0|2,0,0]=4 4674 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,2,0,0,0,0|2,0,0]=4 4675 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,2,0,0,0,0|2,0,0]=4 4676 B10R0.4 CC=CCOCCOC(C)C 34a_100000211219_100000070051 [0,2,0,0,0,0|1,0,1]=4 4677 B10R0.4 CC=CCOCCOC(C)C 7a_100000211219_100000070051 [0,2,0,0,0,0|1,0,1]=4 4678 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,2,0,0,0,0|2,0,0]=4 4679 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,2,0,0,0,0|2,0,0]=4 4680 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,2,0,0,0,0|2,0,0]=4 4681 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|2,0,0]=4 4682 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|2,0,0]=4 4683 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|2,0,0]=4 4684 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,2,0,0,0,0|2,0,0]=4 4685 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,2,0,0,0,0|2,0,0]=4 4686 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,2,0,0,0,0|2,0,0]=4 4687 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,2,0,0,0,0|2,0,0]=4 4688 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,2,0,0,0,0|2,0,0]=4 4689 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,2,0,0,0,0|2,0,0]=4 4690 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,2,0,0,0,0|2,0,0]=4 4691 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,2,0,0,0,0|2,0,0]=4 4692 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,2,0,0,0,0|2,0,0]=4 4693 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,0,0,0,0|2,0,0]=4 4694 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [0,2,0,0,0,0|2,0,0]=4 4695 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [0,2,0,0,0,0|2,0,0]=4 4696 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [0,2,0,0,0,0|2,0,0]=4 4697 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [0,2,0,0,0,0|2,0,0]=4 4698 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,2,0,0,0,0|2,0,0]=4 4699 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,2,0,0,0,0|2,0,0]=4 4700 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,0,0,0,0|2,0,0]=4 4701 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,0,0,0,0|2,0,0]=4 4702 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,0,0,0,0|2,0,0]=4 4703 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,0,0,0,0|2,0,0]=4 4704 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,2,0,0,0,0|2,0,0]=4 4705 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,2,0,0,0,0|2,0,0]=4 4706 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,2,0,0,0,0|2,0,0]=4 4707 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,2,0,0,0,0|2,0,0]=4 4708 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,2,0,0,0,0|2,0,0]=4 4709 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,2,0,0,0,0|2,0,0]=4 4710 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,2,0,0,0,0|2,0,0]=4 4711 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,2,0,0,0,0|2,0,0]=4 4712 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,2,0,0,0,0|2,0,0]=4 4713 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [0,2,0,0,0,0|2,0,0]=4 4714 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [0,2,0,0,0,0|2,0,0]=4 4715 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [0,2,0,0,0,0|2,0,0]=4 4716 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,0,0,0,0|1,0,0]=3 4717 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,0,0,0,0|1,0,0]=3 4718 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,2,0,0,0,0|1,0,1]=4 4719 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,2,0,0,0,0|1,0,1]=4 4720 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,2,0,0,0,0|1,0,1]=4 4721 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [0,2,0,0,0,0|1,0,0]=3 4722 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [0,2,0,0,0,0|1,0,0]=3 4723 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [0,2,0,0,0,0|1,0,0]=3 4724 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [0,2,0,0,0,0|1,0,0]=3 4725 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [0,2,0,0,0,0|1,0,0]=3 4726 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [0,2,0,0,0,0|1,0,0]=3 4727 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [0,2,0,0,0,0|1,0,0]=3 4728 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [0,2,0,0,0,0|1,1,0]=4 4729 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [0,2,0,0,0,0|1,1,0]=4 4730 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [0,2,0,0,0,0|1,1,0]=4 4731 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [0,2,0,0,0,0|1,1,0]=4 4732 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [0,2,0,0,0,0|1,1,0]=4 4733 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [0,2,0,0,0,0|1,1,0]=4 4734 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [0,2,0,0,0,0|2,0,0]=4 4735 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [0,2,0,0,0,0|2,0,0]=4 4736 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,2,0,0,0,0|2,0,0]=4 4737 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,2,0,0,0,0|2,0,0]=4 4738 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,0,0,0,0|2,0,0]=4 4739 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [0,2,0,0,0,0|2,0,0]=4 4740 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [0,2,0,0,0,0|2,0,0]=4 4741 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [0,2,0,0,0,0|2,0,0]=4 4742 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [0,2,0,0,0,0|2,0,0]=4 4743 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [0,2,0,0,0,0|2,0,0]=4 4744 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [0,2,0,0,0,0|2,0,0]=4 4745 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [0,2,0,0,0,0|2,0,0]=4 4746 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,2,0,0,0,0|2,0,0]=4 4747 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,2,0,0,0,0|2,0,0]=4 4748 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,2,0,0,0,0|2,0,0]=4 4749 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,2,0,0,0,0|2,0,0]=4 4750 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,0,0,0,0|1,1,0]=4 4751 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,0,0,0,0|1,1,0]=4 4752 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [0,2,0,0,0,0|1,1,0]=4 4753 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [0,2,0,0,0,0|1,1,0]=4 4754 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [0,2,0,0,0,0|1,1,0]=4 4755 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [0,2,0,0,0,0|1,1,0]=4 4756 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,2,0,0,0,0|2,0,0]=4 4757 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,2,0,0,0,0|2,0,0]=4 4758 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,2,0,0,0,0|2,0,0]=4 4759 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [0,2,0,0,0,0|2,0,0]=4 4760 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [0,2,0,0,0,0|2,0,0]=4 4761 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [0,2,0,0,0,0|2,0,0]=4 4762 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,2,0,0,0,0|2,0,0]=4 4763 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,2,0,0,0,0|2,0,0]=4 4764 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,2,0,0,0,0|2,0,0]=4 4765 B10R0.4 CCOCCOCC=C(C)C 34a_100000210136_100000761012 [0,2,0,0,0,0|1,0,1]=4 4766 B10R0.4 CCOCCOCC=C(C)C 34a_100000753907_100000210147 [0,2,0,0,0,0|1,0,1]=4 4767 B10R0.4 CCOCCOCC=C(C)C 7a_100000210136_100000761012 [0,2,0,0,0,0|1,0,1]=4 4768 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,2,0,0,0,0|1,0,0]=3 4769 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,2,0,0,0,0|1,0,0]=3 4770 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,2,0,0,0,0|1,0,0]=3 4771 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,2,0,0,0,0|1,0,0]=3 4772 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,2,0,0,0,0|2,0,0]=4 4773 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,2,0,0,0,0|2,0,0]=4 4774 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,2,0,0,0,0|2,0,0]=4 4775 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,2,0,0,0,0|2,0,0]=4 4776 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [0,2,0,0,0,0|1,0,0]=3 4777 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [0,2,0,0,0,0|1,0,0]=3 4778 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [0,2,0,0,0,0|1,0,0]=3 4779 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [0,2,0,0,0,0|1,0,0]=3 4780 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [0,2,0,0,0,0|1,0,0]=3 4781 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,2,0,0,0,0|1,0,0]=3 4782 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,2,0,0,0,0|1,0,0]=3 4783 B10R0.4 CCOCCOCCC(F)F 34a_100103093639_100000210147 [0,2,0,0,0,0|2,0,0]=4 4784 B10R0.4 CCOCCOCCN(C)C 2230a_100102631434_100011211534 [0,2,0,0,0,0|1,0,0]=3 4785 B10R0.4 CCOCCOCCN(C)C 269982a_100102631434_100011211534 [0,2,0,0,0,0|1,0,0]=3 4786 B10R0.4 CCOCCOCCN(C)C 7a_100000210136_100000755713 [0,2,0,0,0,0|1,0,0]=3 4787 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [0,2,0,0,0,0|1,0,0]=3 4788 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,2,0,0,0,0|2,0,0]=4 4789 B10R0.4 CCOCCOCOC(C)C 34a_100000210136_100000709892 [0,2,0,0,0,0|2,0,0]=4 4790 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,2,0,0,0,0|1,1,0]=4 4791 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,2,0,0,0,0|1,1,0]=4 4792 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [0,2,0,0,0,0|1,1,0]=4 4793 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [0,2,0,0,0,0|1,1,0]=4 4794 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,2,0,0,0,0|1,1,0]=4 4795 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,2,0,0,0,0|1,1,0]=4 4796 B10R0.4 CCOCCSCCN(C)C 62a_100000210147_100000755713 [0,2,0,0,0,0|1,1,0]=4 4797 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,2,0,0,0,0|2,0,0]=4 4798 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,2,0,0,0,0|1,1,0]=4 4799 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,2,0,0,0,0|1,1,0]=4 4800 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,2,0,0,0,0|1,1,0]=4 4801 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [0,2,0,0,0,0|1,1,0]=4 4802 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [0,2,0,0,0,0|1,1,0]=4 4803 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [0,2,0,0,0,0|1,1,0]=4 4804 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [0,2,0,0,0,0|1,1,0]=4 4805 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [0,2,0,0,0,0|1,1,0]=4 4806 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,2,0,0,0,0|1,1,0]=4 4807 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,2,0,0,0,0|1,1,0]=4 4808 B10R0.4 CCSCCOCCN(C)C 7a_100000212035_100000755713 [0,2,0,0,0,0|1,1,0]=4 4809 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [0,2,0,0,0,0|1,1,0]=4 4810 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,2,0,0,0,0|2,0,0]=4 4811 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,2,0,0,0,0|2,0,0]=4 4812 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [0,2,0,0,0,0|2,0,0]=4 4813 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [0,2,0,0,0,0|2,0,0]=4 4814 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,0,0,0,0|2,0,0]=4 4815 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,0,0,0,0|2,0,0]=4 4816 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,0,0,0,0|2,0,0]=4 4817 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 4818 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [0,2,0,0,0,0|2,0,0]=4 4819 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,2,0,0,0,0|2,0,0]=4 4820 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,2,0,0,0,0|1,0,0]=3 4821 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,2,0,0,0,0|1,0,0]=3 4822 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,2,0,0,0,0|1,0,0]=3 4823 B10R0.4 CNCCOCCOC(C)C 34a_100000228057_100000210206 [0,2,0,0,0,0|1,0,0]=3 4824 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,0,0,0,0|2,0,0]=4 4825 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,2,0,0,0,0|2,0,0]=4 4826 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,2,0,0,0,0|2,0,0]=4 4827 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,0,0,0,0|2,0,0]=4 4828 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,0,0,0,0|2,0,0]=4 4829 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,0,0,0,0|2,0,0]=4 4830 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,0,0,0,0|2,0,0]=4 4831 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,2,0,0,0,0|2,0,0]=4 4832 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,2,0,0,0,0|2,0,0]=4 4833 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 4834 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|1,0,0]=3 4835 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [0,2,0,0,0,0|2,0,0]=4 4836 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [0,2,0,0,0,0|2,0,0]=4 4837 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,2,0,0,0,0|2,0,0]=4 4838 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,2,0,0,0,0|2,0,0]=4 4839 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|2,0,0]=4 4840 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [0,2,0,0,0,0|2,0,0]=4 4841 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [0,2,0,0,0,0|2,0,0]=4 4842 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [0,2,0,0,0,0|2,0,0]=4 4843 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [0,2,0,0,0,0|2,0,0]=4 4844 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [0,2,0,0,0,0|2,0,0]=4 4846 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [0,2,0,0,0,0|2,0,0]=4 4847 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,2,0,0,0,0|2,0,0]=4 4848 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [0,2,0,0,0,0|2,0,0]=4 4849 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [0,2,0,0,0,0|2,0,0]=4 4850 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,2,0,0,0,0|2,0,0]=4 4851 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,2,0,0,0,0|2,0,0]=4 4852 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,2,0,0,0,0|2,0,0]=4 4853 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,2,0,0,0,0|2,0,0]=4 4854 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [0,2,0,0,0,0|2,0,0]=4 4855 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [0,2,0,0,0,0|2,0,0]=4 4856 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,2,0,0,0,0|2,0,0]=4 4857 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,2,0,0,0,0|2,0,0]=4 4858 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,2,0,0,0,0|2,0,0]=4 4859 B10R0.4 COCCCNCOC(C)C 34a_100150723488_100000709892 [0,2,0,0,0,0|2,0,0]=4 4860 B10R0.4 COCCCOCC=C(C)C 34a_100000740835_100000761012 [0,2,0,0,0,0|1,0,1]=4 4861 B10R0.4 COCCCOCC=C(C)C 34a_100000753907_100000740836 [0,2,0,0,0,0|1,0,1]=4 4862 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|1,0,0]=3 4863 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|1,0,0]=3 4864 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,2,0,0,0,0|2,0,0]=4 4865 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,2,0,0,0,0|2,0,0]=4 4866 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,2,0,0,0,0|2,0,0]=4 4867 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [0,2,0,0,0,0|1,0,0]=3 4868 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [0,2,0,0,0,0|1,0,0]=3 4869 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [0,2,0,0,0,0|1,0,0]=3 4870 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [0,2,0,0,0,0|1,0,0]=3 4871 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,2,0,0,0,0|1,0,0]=3 4872 B10R0.4 COCCCOCCC(F)F 34a_100103093639_100000740836 [0,2,0,0,0,0|2,0,0]=4 4873 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [0,2,0,0,0,0|1,0,0]=3 4874 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,2,0,0,0,0|2,0,0]=4 4875 B10R0.4 COCCCOCOC(C)C 34a_100000740835_100000709892 [0,2,0,0,0,0|2,0,0]=4 4876 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,2,0,0,0,0|1,1,0]=4 4877 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,2,0,0,0,0|1,1,0]=4 4878 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [0,2,0,0,0,0|1,1,0]=4 4879 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [0,2,0,0,0,0|1,1,0]=4 4880 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,2,0,0,0,0|1,1,0]=4 4881 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,2,0,0,0,0|1,1,0]=4 4882 B10R0.4 COCCCSCCN(C)C 62a_100000709357_100000755713 [0,2,0,0,0,0|1,1,0]=4 4883 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,2,0,0,0,0|2,0,0]=4 4884 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,2,0,0,0,0|2,0,0]=4 4885 B10R0.4 COCCCSCOC(C)C 62a_100000709357_100000709892 [0,2,0,0,0,0|2,0,0]=4 4886 B10R0.4 COCCCSCOC(C)C 62a_100000709892_100000709357 [0,2,0,0,0,0|2,0,0]=4 4887 B10R0.4 COCCNCCC=C(C)C 2230a_100000209980_100011217483 [0,2,0,0,0,0|2,0,0]=4 4888 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [0,2,0,0,0,0|2,0,0]=4 4889 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [0,2,0,0,0,0|2,0,0]=4 4890 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [0,2,0,0,0,0|2,0,0]=4 4891 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,2,0,0,0,0|2,0,0]=4 4892 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,2,0,0,0,0|1,1,0]=4 4893 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,2,0,0,0,0|2,0,0]=4 4894 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,2,0,0,0,0|2,0,0]=4 4895 B10R0.4 COCCNCCOC(C)C 2230a_100000209980_100000211751 [0,2,0,0,0,0|1,0,0]=3 4896 B10R0.4 COCCNCCOC(C)C 2230a_100000701111_100011201679 [0,2,0,0,0,0|1,0,0]=3 4897 B10R0.4 COCCNCCOC(C)C 34a_100000701111_100011201679 [0,2,0,0,0,0|1,0,0]=3 4898 B10R0.4 COCCNCCSC(C)C 2230a_100000209980_100000730970 [0,2,0,0,0,0|1,1,0]=4 4899 B10R0.4 COCCNCCSC(C)C 2230a_100000731138_100011201679 [0,2,0,0,0,0|1,1,0]=4 4900 B10R0.4 COCCNCCSC(C)C 34a_100000731138_100011201679 [0,2,0,0,0,0|1,1,0]=4 4901 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [0,2,0,0,0,0|1,0,0]=3 4902 B10R0.4 COCCOCCC=C(F)F 34a_100000210237_200009816681 [0,2,0,0,0,0|1,0,1]=4 4903 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,2,0,0,0,0|1,0,0]=3 4904 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,2,0,0,0,0|1,0,0]=3 4905 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,2,0,0,0,0|1,0,0]=3 4906 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,2,0,0,0,0|1,0,0]=3 4907 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,2,0,0,0,0|1,0,1]=4 4908 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [0,2,0,0,0,0|1,0,0]=3 4909 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [0,2,0,0,0,0|1,0,0]=3 4910 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [0,2,0,0,0,0|1,0,0]=3 4911 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,2,0,0,0,0|1,0,0]=3 4912 B10R0.4 COCCOCCCN(C)C 2230a_100102631434_100011216529 [0,2,0,0,0,0|1,0,0]=3 4913 B10R0.4 COCCOCCCN(C)C 269982a_100102631434_100011216529 [0,2,0,0,0,0|1,0,0]=3 4914 B10R0.4 COCCOCCC[N+](=O)[O-] 34a_200000037920_100011201679 [0,2,0,0,0,0|2,0,0]=4 4915 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,2,0,0,0,0|1,0,0]=3 4916 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,2,0,0,0,0|1,0,0]=3 4917 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,2,0,0,0,0|1,0,0]=3 4918 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,2,0,0,0,0|1,0,0]=3 4919 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,2,0,0,0,0|1,0,0]=3 4920 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,2,0,0,0,0|1,0,1]=4 4921 B10R0.4 COCCOCCNC(C)C 2230a_100000745349_100000210206 [0,2,0,0,0,0|1,0,0]=3 4922 B10R0.4 COCCOCCNC(C)C 2230a_100138425928_100000695917 [0,2,0,0,0,0|1,0,0]=3 4923 B10R0.4 COCCOCCNC(C)C 34a_100000224655_100011201679 [0,2,0,0,0,0|1,0,0]=3 4924 B10R0.4 COCCOCCNC(C)C 34a_100000745349_100000210206 [0,2,0,0,0,0|1,0,0]=3 4925 B10R0.4 COCCOCCNC(C)C 34a_100138425928_100000695917 [0,2,0,0,0,0|1,0,0]=3 4926 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,2,0,0,0,0|0,0,0]=2 4927 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,2,0,0,0,0|0,0,0]=2 4928 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,2,0,0,0,0|0,0,1]=3 4929 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,2,0,0,0,0|0,0,1]=3 4930 B10R0.4 COCCOCCOC(C)C 34a_100000210237_100000211751 [0,2,0,0,0,0|0,0,0]=2 4931 B10R0.4 COCCOCCOC(C)C 34a_100000211219_100011201679 [0,2,0,0,0,0|0,0,0]=2 4932 B10R0.4 COCCOCCOC(C)C 34a_100000212225_100000695917 [0,2,0,0,0,0|0,0,0]=2 4933 B10R0.4 COCCOCCOC(C)C 34a_100011215163_100000210206 [0,2,0,0,0,0|0,0,0]=2 4934 B10R0.4 COCCOCCOC(C)C 7a_100000211219_100000233755 [0,2,0,0,0,0|0,0,0]=2 4935 B10R0.4 COCCOCCOC(C)C 7a_100011215163_100000210206 [0,2,0,0,0,0|0,0,0]=2 4936 B10R0.4 COCCOCCSC(C)C 34a_100000210237_100000730970 [0,2,0,0,0,0|0,1,0]=3 4937 B10R0.4 COCCOCCSC(C)C 34a_200011212901_100011201679 [0,2,0,0,0,0|0,1,0]=3 4938 B10R0.4 COCCOCCSC(C)C 62a_100000210206_100000695917 [0,2,0,0,0,0|0,1,0]=3 4939 B10R0.4 COCCOCCSC(C)C 62a_100000695917_100000210206 [0,2,0,0,0,0|0,1,0]=3 4940 B10R0.4 COCCOCCSC(C)C 7a_200011212901_100000233755 [0,2,0,0,0,0|0,1,0]=3 4941 B10R0.4 COCCOCNCC(=O)N 2230a_100000711301_100000231047 [0,2,0,0,0,0|2,0,0]=4 4942 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,2,0,0,0,0|2,0,0]=4 4943 B10R0.4 COCCOCNCC(C)C 2230a_100000210953_100000231047 [0,2,0,0,0,0|1,0,0]=3 4944 B10R0.4 COCCOCNCC(C)O 2230a_100000210904_100000231047 [0,2,0,0,0,0|1,0,0]=3 4945 B10R0.4 COCCOCSCC(=O)N 62a_100000231047_100000747473 [0,2,0,0,0,0|2,0,0]=4 4946 B10R0.4 COCCOCSCC(=O)N 62a_100000747473_100000231047 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.4 COCCOCSCC(=O)[O-] 62a_100000231047_100020667443 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.4 COCCOCSCC(=O)[O-] 62a_100020667443_100000231047 [0,2,0,0,0,0|2,0,0]=4 4949 B10R0.4 COCCOCSCC(C)C 62a_100000210624_100000231047 [0,2,0,0,0,0|1,0,0]=3 4950 B10R0.4 COCCOCSCC(C)C 62a_100000231047_100000210760 [0,2,0,0,0,0|1,0,0]=3 4951 B10R0.4 COCCOCSCC(C)O 62a_100000231047_100011218427 [0,2,0,0,0,0|1,0,0]=3 4952 B10R0.4 COCCOCSCC(C)O 62a_100011218427_100000231047 [0,2,0,0,0,0|1,0,0]=3 4953 B10R0.4 COCCOCSCC(F)F 62a_100000231047_100011934356 [0,2,0,0,0,0|2,0,0]=4 4954 B10R0.4 COCCOCSCC(F)F 62a_100011934356_100000231047 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.4 COCCOCSC[C@@H](C)O 62a_100000231047_100009817552 [0,2,0,0,0,0|1,0,0]=3 4956 B10R0.4 COCCOCSC[C@@H](C)O 62a_100009817552_100000231047 [0,2,0,0,0,0|1,0,0]=3 4957 B10R0.4 COCCOCSC[N+](=O)[O-] 62a_100000231047_100000761209 [0,2,0,0,0,0|2,0,0]=4 4958 B10R0.4 COCCSCCC=C(C)C 62a_100000233755_100011217483 [0,2,0,0,0,0|1,1,0]=4 4959 B10R0.4 COCCSCCC=C(C)C 62a_100011217483_100000233755 [0,2,0,0,0,0|1,1,0]=4 4960 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,2,0,0,0,0|1,1,0]=4 4961 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,2,0,0,0,0|1,1,0]=4 4962 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [0,2,0,0,0,0|1,1,0]=4 4963 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [0,2,0,0,0,0|1,1,0]=4 4964 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,2,0,0,0,0|1,1,0]=4 4965 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,2,0,0,0,0|1,1,0]=4 4966 B10R0.4 COCCSCCCN(C)C 62a_100000233755_100000757444 [0,2,0,0,0,0|1,1,0]=4 4967 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,2,0,0,0,0|1,1,0]=4 4968 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,2,0,0,0,0|1,1,0]=4 4969 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,2,0,0,0,0|0,1,0]=3 4970 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,2,0,0,0,0|0,1,0]=3 4971 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,2,0,0,0,0|0,1,1]=4 4972 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,2,0,0,0,0|0,1,1]=4 4973 B10R0.4 COCCSCCOC(C)C 62a_100000211751_100000233755 [0,2,0,0,0,0|0,1,0]=3 4974 B10R0.4 COCCSCCOC(C)C 62a_100000233755_100000211751 [0,2,0,0,0,0|0,1,0]=3 4975 B10R0.4 COCCSCCSC(C)C 62a_100000233755_100000730970 [0,2,0,0,0,0|0,2,0]=4 4976 B10R0.4 COCCSCCSC(C)C 62a_100000730970_100000233755 [0,2,0,0,0,0|0,2,0]=4 4977 B10R0.4 COCNCCCOC(C)C 2230a_100000737246_100000766300 [0,2,0,0,0,0|2,0,0]=4 4978 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,2,0,0,0,0|2,0,0]=4 4979 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,2,0,0,0,0|2,0,0]=4 4980 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [0,2,0,0,0,0|2,0,0]=4 4981 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [0,2,0,0,0,0|2,0,0]=4 4982 B10R0.4 COCSCCCCN(C)C 62a_100000766300_100000690147 [0,2,0,0,0,0|2,0,0]=4 4983 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,2,0,0,0,0|2,0,0]=4 4984 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,2,0,0,0,0|2,0,0]=4 4985 B10R0.4 COCSCCCOC(=S)C 62a_100000766300_200135323944 [0,2,0,0,0,0|2,0,0]=4 4986 B10R0.4 COCSCCCOC(=S)C 62a_200135323944_100000766300 [0,2,0,0,0,0|2,0,0]=4 4987 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,0,0,0,0|1,1,0]=4 4988 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,0,0,0,0|1,1,0]=4 4989 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,2,0,0,0,0|1,1,0]=4 4990 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [0,2,0,0,0,0|1,1,0]=4 4991 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [0,2,0,0,0,0|1,1,0]=4 4992 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,2,0,0,0,0|1,1,0]=4 4993 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,2,0,0,0,0|1,1,0]=4 4994 B10R0.4 CSCCCOCCN(C)C 7a_100000690336_100000755713 [0,2,0,0,0,0|1,1,0]=4 4995 B10R0.4 CSCCNCCOC(C)C 2230a_100000701111_100000751147 [0,2,0,0,0,0|1,1,0]=4 4996 B10R0.4 CSCCNCCOC(C)C 2230a_100020590264_100000211751 [0,2,0,0,0,0|1,1,0]=4 4997 B10R0.4 CSCCNCCOC(C)C 34a_100000701111_100000212216 [0,2,0,0,0,0|1,1,0]=4 4998 B10R0.4 CSCCOCCC=C(C)C 34a_100000230434_100011217483 [0,2,0,0,0,0|1,1,0]=4 4999 B10R0.4 CSCCOCCC=C(C)C 7a_100000230434_100011217483 [0,2,0,0,0,0|1,1,0]=4 5000 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,2,0,0,0,0|1,1,0]=4 5001 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,2,0,0,0,0|1,1,0]=4 5002 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,2,0,0,0,0|1,1,0]=4 5003 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,2,0,0,0,0|1,1,0]=4 5004 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [0,2,0,0,0,0|1,1,0]=4 5005 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [0,2,0,0,0,0|1,1,0]=4 5006 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [0,2,0,0,0,0|1,1,0]=4 5007 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [0,2,0,0,0,0|1,1,0]=4 5008 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,2,0,0,0,0|1,1,0]=4 5009 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,2,0,0,0,0|1,1,0]=4 5010 B10R0.4 CSCCOCCCN(C)C 7a_100000230434_100000757444 [0,2,0,0,0,0|1,1,0]=4 5011 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,2,0,0,0,0|1,1,0]=4 5012 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,2,0,0,0,0|1,1,0]=4 5013 B10R0.4 CSCCOCCNC(C)C 34a_100000224655_100000212216 [0,2,0,0,0,0|1,1,0]=4 5014 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,2,0,0,0,0|0,1,0]=3 5015 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,2,0,0,0,0|0,1,0]=3 5016 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,2,0,0,0,0|0,1,0]=3 5017 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,2,0,0,0,0|0,1,0]=3 5018 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,2,0,0,0,0|0,1,1]=4 5019 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,2,0,0,0,0|0,1,1]=4 5020 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,2,0,0,0,0|0,1,1]=4 5021 B10R0.4 CSCCOCCOC(C)C 34a_100000211219_100000212216 [0,2,0,0,0,0|0,1,0]=3 5022 B10R0.4 CSCCOCCOC(C)C 34a_100000230434_100000211751 [0,2,0,0,0,0|0,1,0]=3 5023 B10R0.4 CSCCOCCOC(C)C 7a_100000211219_100000212216 [0,2,0,0,0,0|0,1,0]=3 5024 B10R0.4 CSCCOCCOC(C)C 7a_100000230434_100000211751 [0,2,0,0,0,0|0,1,0]=3 5025 B10R0.4 CSCCOCCSC(C)C 34a_100000230434_100000730970 [0,2,0,0,0,0|0,2,0]=4 5026 B10R0.4 CSCCOCCSC(C)C 34a_200011212901_100000212216 [0,2,0,0,0,0|0,2,0]=4 5027 B10R0.4 CSCCOCCSC(C)C 7a_100000230434_100000730970 [0,2,0,0,0,0|0,2,0]=4 5028 B10R0.4 CSCCOCCSC(C)C 7a_200011212901_100000212216 [0,2,0,0,0,0|0,2,0]=4 5029 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,2,0,0,0,0|0,2,0]=4 5030 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,2,0,0,0,0|0,2,0]=4 5031 B10R0.4 CSCCSCCOC(C)C 62a_100000211751_100000751147 [0,2,0,0,0,0|0,2,0]=4 5032 B10R0.4 CSCCSCCOC(C)C 62a_100000212216_100000211751 [0,2,0,0,0,0|0,2,0]=4 5033 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [0,2,0,0,0,0|2,0,0]=4 5034 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,2,0,0,0,0|2,0,0]=4 5035 B10R0.4 NOCCOCCOC(=O)N 34a_100000700252_200011214921 [0,2,0,0,0,0|1,0,1]=4 5036 B10R0.6 CC(C)CC(C)OCCON 34a_100000700252_100000731052 [0,2,0,0,0,0|2,0,0]=4 5037 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,2,0,0,0,0|2,0,0]=4 5038 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,2,0,0,0,0|2,0,0]=4 5040 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,2,0,0,0,0|2,0,0]=4 5041 B10R0.6 COCCNC(C)CC(C)C 2230a_100000209980_100000731052 [0,2,0,0,0,0|2,0,0]=4 5042 B10R0.6 COCCNC(C)CC(C)C 2230a_100000692259_100011201679 [0,2,0,0,0,0|2,0,0]=4 5043 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,2,0,0,0,0|1,0,1]=4 5044 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,2,0,0,0,0|1,0,1]=4 5045 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [0,2,0,0,0,0|1,0,1]=4 5046 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [0,2,0,0,0,0|1,0,1]=4 5047 B10R0.6 COCCOC(C)C=C(C)C 34a_100000717055_100011201679 [0,2,0,0,0,0|1,0,1]=4 5048 B10R0.6 COCCOC(C)CC(C)C 34a_100000210237_100000731052 [0,2,0,0,0,0|1,0,0]=3 5049 B10R0.6 COCCOC(C)CC(C)C 34a_100000211805_100011201679 [0,2,0,0,0,0|1,0,0]=3 5050 B10R0.6 COCCOC(C)CC(C)C 7a_100000211805_100000233755 [0,2,0,0,0,0|1,0,0]=3 5051 B10R0.6 COCCSC(C)CC(C)C 62a_100000233755_100000731052 [0,2,0,0,0,0|1,1,0]=4 5052 B10R0.6 COCCSC(C)CC(C)C 62a_100000731052_100000233755 [0,2,0,0,0,0|1,1,0]=4 5053 B10R0.6 COCCSC(C)CN(C)C 62a_100000233755_100020606517 [0,2,0,0,0,0|1,1,0]=4 5054 B10R0.6 COCCSC(C)CN(C)C 62a_100020606517_100000233755 [0,2,0,0,0,0|1,1,0]=4 5055 B10R0.6 CSCCOC(C)CC(C)C 34a_100000211805_100000212216 [0,2,0,0,0,0|1,1,0]=4 5056 B10R0.6 CSCCOC(C)CC(C)C 34a_100000230434_100000731052 [0,2,0,0,0,0|1,1,0]=4 5057 B10R0.6 CSCCOC(C)CC(C)C 7a_100000211805_100000212216 [0,2,0,0,0,0|1,1,0]=4 5058 B10R0.6 CSCCOC(C)CC(C)C 7a_100000230434_100000731052 [0,2,0,0,0,0|1,1,0]=4 5059 B10R0.22 CC(C)(C)CCOCCON 34a_100000700252_100000755188 [0,2,0,0,0,0|2,0,0]=4 5060 B10R0.22 CC(C)(O)CCOCCON 34a_100000700252_100000702414 [0,2,0,0,0,0|2,0,0]=4 5061 B10R0.22 CCCCOCCC(C)(C)C 34a_100000210227_100000755188 [0,2,0,0,0,0|2,0,0]=4 5062 B10R0.22 CCCCOCCC(C)(C)C 7a_100000210227_100000755188 [0,2,0,0,0,0|2,0,0]=4 5063 B10R0.22 CCCCOCCC(C)(C)C 7a_100000765024_100000210211 [0,2,0,0,0,0|2,0,0]=4 5064 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [0,2,0,0,0,0|2,0,0]=4 5065 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [0,2,0,0,0,0|2,0,0]=4 5066 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [0,2,0,0,0,0|1,1,0]=4 5067 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [0,2,0,0,0,0|1,1,0]=4 5068 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [0,2,0,0,0,0|1,1,0]=4 5069 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [0,2,0,0,0,0|1,1,0]=4 5070 B10R0.22 CCCCOCC[N+](C)(C)C 34a_100000210227_100000085578 [0,2,0,0,0,0|2,0,0]=4 5071 B10R0.22 CCCCOCC[N+](C)(C)C 7a_100000210227_100000085578 [0,2,0,0,0,0|2,0,0]=4 5072 B10R0.22 CCCCOCC[N+](C)(C)C 7a_200020618287_100000210211 [0,2,0,0,0,0|2,0,0]=4 5073 B10R0.22 CCCCOCC[Si](C)(C)C 34a_100000210227_200000733723 [0,2,0,0,0,0|2,0,0]=4 5074 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000039746_100000210211 [0,2,0,0,0,0|2,0,0]=4 5075 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000210227_200000733723 [0,2,0,0,0,0|2,0,0]=4 5076 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [0,2,0,0,0,0|2,0,0]=4 5077 B10R0.22 COCCCCC[N+](C)(C)C 34a_100138415774_100009813293 [0,2,0,0,0,0|2,0,0]=4 5078 B10R0.22 COCCNCCC(C)(C)C 2230a_100000209980_100000755188 [0,2,0,0,0,0|2,0,0]=4 5079 B10R0.22 COCCNCCC(C)(C)C 2230a_100000738805_100011201679 [0,2,0,0,0,0|2,0,0]=4 5080 B10R0.22 COCCNCCC(C)(C)F 2230a_100016253952_100011201679 [0,2,0,0,0,0|2,0,0]=4 5081 B10R0.22 COCCNCCC(C)(C)O 2230a_100000209980_100000702414 [0,2,0,0,0,0|2,0,0]=4 5082 B10R0.22 COCCNCCS(=O)(=O)C 2230a_100000209980_100000731031 [0,2,0,0,0,0|1,1,0]=4 5083 B10R0.22 COCCNCCS(=O)(=O)C 2230a_100000740961_100011201679 [0,2,0,0,0,0|1,1,0]=4 5084 B10R0.22 COCCNCCS(=O)(=O)C 34a_100000740961_100011201679 [0,2,0,0,0,0|1,1,0]=4 5085 B10R0.22 COCCNCC[Si](C)(C)C 2230a_100000209980_200000733723 [0,2,0,0,0,0|2,0,0]=4 5086 B10R0.22 COCCOCCC(C)(C)C 34a_100000210237_100000755188 [0,2,0,0,0,0|1,0,0]=3 5087 B10R0.22 COCCOCCC(C)(C)C 7a_100000765024_100000233755 [0,2,0,0,0,0|1,0,0]=3 5088 B10R0.22 COCCOCCC(C)(C)O 34a_100000210237_100000702414 [0,2,0,0,0,0|1,0,0]=3 5089 B10R0.22 COCCOCCC(F)(F)F 34a_100000210237_100011219754 [0,2,0,0,0,0|2,0,0]=4 5090 B10R0.22 COCCOCCC(F)(F)F 34a_100000752437_100011201679 [0,2,0,0,0,0|2,0,0]=4 5091 B10R0.22 COCCOCCS(=O)(=O)C 34a_100000210237_100000731031 [0,2,0,0,0,0|0,1,0]=3 5092 B10R0.22 COCCOCCS(=O)(=O)C 34a_100000211924_100011201679 [0,2,0,0,0,0|0,1,0]=3 5093 B10R0.22 COCCOCCS(=O)(=O)C 7a_100000211924_100000233755 [0,2,0,0,0,0|0,1,0]=3 5094 B10R0.22 COCCOCCS(=O)(=O)N 34a_100012334274_100011201679 [0,2,0,0,0,0|1,1,0]=4 5095 B10R0.22 COCCOCCS(=O)(=O)[O-] 34a_100000210237_100000762736 [0,2,0,0,0,0|1,1,0]=4 5096 B10R0.22 COCCOCC[N+](C)(C)C 34a_100000210237_100000085578 [0,2,0,0,0,0|1,0,0]=3 5097 B10R0.22 COCCOCC[N+](C)(C)C 7a_200020618287_100000233755 [0,2,0,0,0,0|1,0,0]=3 5098 B10R0.22 COCCOCC[Si](C)(C)C 34a_100000210237_200000733723 [0,2,0,0,0,0|1,0,0]=3 5099 B10R0.22 COCCOCC[Si](C)(C)C 7a_100000039746_100000233755 [0,2,0,0,0,0|1,0,0]=3 5100 B10R0.22 COCCOCNC(C)(C)C 2230a_100000715429_100000231047 [0,2,0,0,0,0|2,0,0]=4 5101 B10R0.22 COCCOCSC(C)(C)C 62a_100000211941_100000231047 [0,2,0,0,0,0|2,0,0]=4 5102 B10R0.22 COCCOCSC(C)(C)C 62a_100000231047_100000211941 [0,2,0,0,0,0|2,0,0]=4 5103 B10R0.22 COCCSCCC(C)(C)C 62a_100000233755_100000755188 [0,2,0,0,0,0|1,1,0]=4 5104 B10R0.22 COCCSCCC(C)(C)C 62a_100000755188_100000233755 [0,2,0,0,0,0|1,1,0]=4 5105 B10R0.22 COCCSCCC(C)(C)O 62a_100000233755_100000702414 [0,2,0,0,0,0|1,1,0]=4 5106 B10R0.22 COCCSCCC(C)(C)O 62a_100000702414_100000233755 [0,2,0,0,0,0|1,1,0]=4 5107 B10R0.22 COCCSCCS(=O)(=O)C 62a_100000233755_100000230027 [0,2,0,0,0,0|0,2,0]=4 5108 B10R0.22 COCCSCCS(=O)(=O)C 62a_100000731031_100000233755 [0,2,0,0,0,0|0,2,0]=4 5109 B10R0.22 COCCSCC[N+](C)(C)C 62a_100000085578_100000233755 [0,2,0,0,0,0|1,1,0]=4 5110 B10R0.22 COCCSCC[N+](C)(C)C 62a_100000233755_100000085578 [0,2,0,0,0,0|1,1,0]=4 5111 B10R0.22 COCCSCC[Si](C)(C)C 62a_100000233755_200000733723 [0,2,0,0,0,0|1,1,0]=4 5112 B10R0.22 COCCSCC[Si](C)(C)C 62a_200000733723_100000233755 [0,2,0,0,0,0|1,1,0]=4 5113 B10R0.22 CS(=O)(=O)CCOCCON 34a_100000700252_100000731031 [0,2,0,0,0,0|1,1,0]=4 5114 B10R0.22 CSCCOCCC(C)(C)C 34a_100000230434_100000755188 [0,2,0,0,0,0|1,1,0]=4 5115 B10R0.22 CSCCOCCC(C)(C)C 7a_100000230434_100000755188 [0,2,0,0,0,0|1,1,0]=4 5116 B10R0.22 CSCCOCCC(C)(C)C 7a_100000765024_100000212216 [0,2,0,0,0,0|1,1,0]=4 5117 B10R0.22 CSCCOCCC(C)(C)O 34a_100000230434_100000702414 [0,2,0,0,0,0|1,1,0]=4 5118 B10R0.22 CSCCOCCC(C)(C)O 7a_100000230434_100000702414 [0,2,0,0,0,0|1,1,0]=4 5119 B10R0.22 CSCCOCCS(=O)(=O)C 34a_100000211924_100000212216 [0,2,0,0,0,0|0,2,0]=4 5120 B10R0.22 CSCCOCCS(=O)(=O)C 34a_100000230434_100000731031 [0,2,0,0,0,0|0,2,0]=4 5121 B10R0.22 CSCCOCCS(=O)(=O)C 7a_100000211924_100000212216 [0,2,0,0,0,0|0,2,0]=4 5122 B10R0.22 CSCCOCCS(=O)(=O)C 7a_100000230434_100000230027 [0,2,0,0,0,0|0,2,0]=4 5123 B10R0.22 CSCCOCC[N+](C)(C)C 34a_100000230434_100000085578 [0,2,0,0,0,0|1,1,0]=4 5124 B10R0.22 CSCCOCC[N+](C)(C)C 7a_100000230434_100000085578 [0,2,0,0,0,0|1,1,0]=4 5125 B10R0.22 CSCCOCC[N+](C)(C)C 7a_200020618287_100000212216 [0,2,0,0,0,0|1,1,0]=4 5126 B10R0.22 CSCCOCC[Si](C)(C)C 34a_100000230434_200000733723 [0,2,0,0,0,0|1,1,0]=4 5127 B10R0.22 CSCCOCC[Si](C)(C)C 7a_100000039746_100000212216 [0,2,0,0,0,0|1,1,0]=4 5128 B10R0.22 CSCCOCC[Si](C)(C)C 7a_100000230434_200000733723 [0,2,0,0,0,0|1,1,0]=4 5129 B10R0.22 C[N+](C)(C)CCOCCON 34a_100000700252_100000085578 [0,2,0,0,0,0|2,0,0]=4 5130 B10R0.22 C[Si](C)(C)CCOCCON 34a_100000700252_200000733723 [0,2,0,0,0,0|2,0,0]=4 5131 B10R0.55 C=C(C)CCNC[C@@H](C)OC 2230a_100020591295_100000730704 [0,2,0,0,0,0|2,0,0]=4 5132 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,2,0,0,0,0|1,0,1]=4 5133 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,2,0,0,0,0|2,0,0]=4 5134 B10R0.55 C=C(C)CCOCC(C)OC 34a_100000690652_100000730704 [0,2,0,0,0,0|1,0,0]=3 5135 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [0,2,0,0,0,0|2,0,0]=4 5136 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,2,0,0,0,0|2,0,0]=4 5137 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,2,0,0,0,0|2,0,0]=4 5139 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,2,0,0,0,0|2,0,0]=4 5140 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [0,2,0,0,0,0|2,0,0]=4 5141 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,2,0,0,0,0|2,0,0]=4 5142 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,2,0,0,0,0|2,0,0]=4 5143 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [0,2,0,0,0,0|2,0,0]=4 5144 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,2,0,0,0,0|2,0,0]=4 5145 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,2,0,0,0,0|2,0,0]=4 5146 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,2,0,0,0,0|2,0,0]=4 5147 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,2,0,0,0,0|2,0,0]=4 5148 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,2,0,0,0,0|2,0,0]=4 5149 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,2,0,0,0,0|2,0,0]=4 5150 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,2,0,0,0,0|2,0,0]=4 5151 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,2,0,0,0,0|2,0,0]=4 5152 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,2,0,0,0,0|2,0,0]=4 5153 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [0,2,0,0,0,0|2,0,0]=4 5154 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,2,0,0,0,0|2,0,0]=4 5155 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,2,0,0,0,0|2,0,0]=4 5156 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,2,0,0,0,0|2,0,0]=4 5157 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,2,0,0,0,0|2,0,0]=4 5158 B10R0.55 CC[C@H](C)COCCN(C)C 7a_100009816381_100000755713 [0,2,0,0,0,0|2,0,0]=4 5159 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [0,2,0,0,0,0|2,0,0]=4 5160 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,2,0,0,0,0|1,0,1]=4 5161 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,2,0,0,0,0|1,0,1]=4 5162 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,2,0,0,0,0|1,0,1]=4 5163 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,2,0,0,0,0|1,0,1]=4 5164 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,2,0,0,0,0|1,0,1]=4 5165 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,2,0,0,0,0|1,0,1]=4 5166 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,2,0,0,0,0|1,0,1]=4 5167 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,2,0,0,0,0|1,0,1]=4 5168 B10R0.55 COC(C)COCC=C(C)C 34a_100000690652_100000761012 [0,2,0,0,0,0|1,0,1]=4 5169 B10R0.55 COC(C)COCCC(=O)N 34a_100000690652_100000731001 [0,2,0,0,0,0|2,0,0]=4 5170 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [0,2,0,0,0,0|1,0,0]=3 5171 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [0,2,0,0,0,0|1,0,0]=3 5172 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,2,0,0,0,0|2,0,0]=4 5173 B10R0.55 COC(C)COCOC(C)C 34a_100000690652_100000709892 [0,2,0,0,0,0|2,0,0]=4 5174 B10R0.55 CO[C@H](C)CNCCC(C)C 2230a_100020591295_100000210312 [0,2,0,0,0,0|2,0,0]=4 5175 B10R0.55 CO[C@H](C)CNCCC(C)C 269862a_100020591295_100000185833 [0,2,0,0,0,0|2,0,0]=4 5176 B10R0.55 CO[C@H](C)CNCCC(C)O 2230a_100020591295_100012276601 [0,2,0,0,0,0|2,0,0]=4 5177 B10R0.74 C#C/C(=C\COCCOC)/C 34a_100016990848_100011201679 [0,2,0,0,0,0|1,0,1]=4 5178 B10R0.74 C#CC(=O)CCOCCOC 1458a_100000211873_100000695917 [0,2,0,0,0,0|1,0,1]=4 5179 B10R0.74 C#CC(C)NCOCCOC 2230a_100000707721_100000231047 [0,2,0,0,0,0|1,0,1]=4 5180 B10R0.74 C#CC(C)SCOCCOC 62a_200000035995_100000231047 [0,2,0,0,0,0|1,0,1]=4 5181 B10R0.74 C#CCCCOCC(C)OC 34a_100000690652_100000695029 [0,2,0,0,0,0|1,0,1]=4 5182 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,2,0,0,0,0|1,0,1]=4 5183 B10R0.74 C#CCCOCCC(C)OC 7a_100000764861_100000688953 [0,2,0,0,0,0|1,0,1]=4 5184 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,2,0,0,0,0|1,0,1]=4 5185 B10R0.74 C/C=C/CCOCC(C)CC 34a_100016278192_100000748023 [0,2,0,0,0,0|2,0,0]=4 5186 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,2,0,0,0,0|2,0,0]=4 5187 B10R0.74 C/C=C/CCOC[C@@H](C)CC 34a_100016278192_100009816398 [0,2,0,0,0,0|2,0,0]=4 5188 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,2,0,0,0,0|1,0,1]=4 5189 B10R0.74 C/C=C/COCCC(C)OC 7a_100000764861_100102629194 [0,2,0,0,0,0|1,0,1]=4 5190 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,2,0,0,0,0|1,0,1]=4 5191 B10R0.74 C=CC(C)COCCCOC 34a_100011215527_100000740836 [0,2,0,0,0,0|1,0,1]=4 5192 B10R0.74 C=CC(C)COCCCOC 7a_100011215527_100000740836 [0,2,0,0,0,0|1,0,1]=4 5193 B10R0.74 C=CC(C)COCCOCC 34a_100011215527_100000210147 [0,2,0,0,0,0|1,0,1]=4 5194 B10R0.74 C=CC(C)COCCOCC 7a_100011215527_100011215890 [0,2,0,0,0,0|1,0,1]=4 5195 B10R0.74 C=CC(C)SCOCCOC 62a_100011215867_100000231047 [0,2,0,0,0,0|1,0,1]=4 5196 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,2,0,0,0,0|1,0,1]=4 5197 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,2,0,0,0,0|1,0,1]=4 5198 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,2,0,0,0,0|1,0,1]=4 5199 B10R0.74 C=CCCCOCC(C)OC 34a_100000690652_100000757094 [0,2,0,0,0,0|1,0,1]=4 5200 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,2,0,0,0,0|1,0,1]=4 5201 B10R0.74 C=CCCOCCC(C)OC 7a_100000764861_100000754431 [0,2,0,0,0,0|1,0,1]=4 5202 B10R0.74 C=COCCNC[C@@H](C)OC 2230a_100020591295_100000039644 [0,2,0,0,0,0|1,0,1]=4 5203 B10R0.74 C=COCCOCC(=O)OC 34a_100000033082_100000747449 [0,2,0,0,0,0|0,0,2]=4 5204 B10R0.74 C=COCCOCC(C)CC 34a_100000033082_100000748023 [0,2,0,0,0,0|1,0,1]=4 5205 B10R0.74 C=COCCOCC(C)OC 34a_100000690652_100000039644 [0,2,0,0,0,0|0,0,1]=3 5206 B10R0.74 C=COCCOCC(O)CC 34a_100000033082_100011218378 [0,2,0,0,0,0|1,0,1]=4 5207 B10R0.74 C=COCCOC[C@@H](C)CC 34a_100000033082_100009816398 [0,2,0,0,0,0|1,0,1]=4 5208 B10R0.74 C=COCCOC[C@@H](C)CC 7a_100009816381_100000039644 [0,2,0,0,0,0|1,0,1]=4 5209 B10R0.74 C=C[C@H](N)COCCCOC 34a_100016989147_100000740836 [0,2,0,0,0,0|1,0,1]=4 5210 B10R0.74 C=C[C@H](N)COCCOCC 34a_100016989147_100000210147 [0,2,0,0,0,0|1,0,1]=4 5211 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,2,0,0,0,0|1,0,1]=4 5212 B10R0.74 CC#CCCOCC(C)CC 34a_100000750427_100000748023 [0,2,0,0,0,0|2,0,0]=4 5213 B10R0.74 CC#CCCOCC(O)CC 34a_100000750427_100011218378 [0,2,0,0,0,0|2,0,0]=4 5214 B10R0.74 CC#CCCOC[C@@H](C)CC 34a_100000750427_100009816398 [0,2,0,0,0,0|2,0,0]=4 5215 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [0,2,0,0,0,0|1,0,1]=4 5216 B10R0.74 CC#CCOCCC(C)OC 7a_100000764861_100000748600 [0,2,0,0,0,0|1,0,1]=4 5217 B10R0.74 CC/C=C\COCC(C)OC 34a_100000690652_100103147603 [0,2,0,0,0,0|1,0,1]=4 5218 B10R0.74 CC=CCOCCC(C)OC 7a_100000764861_100000070051 [0,2,0,0,0,0|1,0,1]=4 5219 B10R0.74 CCC#CCOCC(C)OC 34a_100000690652_100009813939 [0,2,0,0,0,0|1,0,1]=4 5220 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|2,0,0]=4 5221 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|1,0,0]=3 5222 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|1,0,0]=3 5223 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|1,0,1]=4 5224 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,2,0,0,0,0|2,0,0]=4 5225 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,2,0,0,0,0|2,0,0]=4 5226 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,2,0,0,0,0|2,0,0]=4 5227 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,2,0,0,0,0|1,0,0]=3 5228 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,2,0,0,0,0|1,1,0]=4 5229 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,2,0,0,0,0|2,0,0]=4 5230 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,2,0,0,0,0|2,0,0]=4 5231 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,2,0,0,0,0|2,0,0]=4 5232 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,2,0,0,0,0|2,0,0]=4 5233 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,2,0,0,0,0|2,0,0]=4 5234 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,2,0,0,0,0|2,0,0]=4 5235 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,2,0,0,0,0|2,0,0]=4 5236 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,2,0,0,0,0|2,0,0]=4 5237 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,2,0,0,0,0|2,0,0]=4 5238 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,2,0,0,0,0|2,0,0]=4 5239 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,2,0,0,0,0|2,0,0]=4 5240 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,2,0,0,0,0|1,0,0]=3 5241 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,2,0,0,0,0|1,1,0]=4 5242 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,2,0,0,0,0|1,1,0]=4 5243 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,2,0,0,0,0|1,1,0]=4 5244 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,2,0,0,0,0|1,1,0]=4 5245 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,2,0,0,0,0|2,0,0]=4 5246 B10R0.74 CCC(C)NCOCCOC 2230a_100000209981_100000231047 [0,2,0,0,0,0|1,0,0]=3 5247 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,2,0,0,0,0|2,0,0]=4 5248 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,2,0,0,0,0|2,0,0]=4 5249 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,2,0,0,0,0|2,0,0]=4 5250 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,2,0,0,0,0|2,0,0]=4 5251 B10R0.74 CCC(C)SCOCCOC 62a_100000231047_100000758301 [0,2,0,0,0,0|1,0,0]=3 5252 B10R0.74 CCC(C)SCOCCOC 62a_100000758301_100000231047 [0,2,0,0,0,0|1,0,0]=3 5253 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,2,0,0,0,0|2,0,0]=4 5254 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,2,0,0,0,0|2,0,0]=4 5255 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,2,0,0,0,0|2,0,0]=4 5256 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,2,0,0,0,0|2,0,0]=4 5257 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,2,0,0,0,0|2,0,0]=4 5258 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,2,0,0,0,0|2,0,0]=4 5259 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,2,0,0,0,0|2,0,0]=4 5260 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,2,0,0,0,0|2,0,0]=4 5261 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,2,0,0,0,0|2,0,0]=4 5262 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,2,0,0,0,0|2,0,0]=4 5263 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,2,0,0,0,0|1,0,0]=3 5264 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,2,0,0,0,0|1,1,0]=4 5265 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,2,0,0,0,0|1,1,0]=4 5266 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,2,0,0,0,0|1,1,0]=4 5267 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,2,0,0,0,0|1,1,0]=4 5268 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,2,0,0,0,0|2,0,0]=4 5269 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,2,0,0,0,0|2,0,0]=4 5270 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,2,0,0,0,0|2,0,0]=4 5271 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,2,0,0,0,0|2,0,0]=4 5272 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,2,0,0,0,0|2,0,0]=4 5273 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,2,0,0,0,0|2,0,0]=4 5274 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,2,0,0,0,0|2,0,0]=4 5275 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,2,0,0,0,0|2,0,0]=4 5276 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|1,0,1]=4 5277 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|1,0,1]=4 5278 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,2,0,0,0,0|2,0,0]=4 5279 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,2,0,0,0,0|2,0,0]=4 5280 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,2,0,0,0,0|1,0,0]=3 5281 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,2,0,0,0,0|2,0,0]=4 5282 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,2,0,0,0,0|2,0,0]=4 5283 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,2,0,0,0,0|2,0,0]=4 5284 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,2,0,0,0,0|2,0,0]=4 5285 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,2,0,0,0,0|2,0,0]=4 5286 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|2,0,0]=4 5287 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|2,0,0]=4 5288 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|2,0,0]=4 5289 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|2,0,0]=4 5290 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|2,0,0]=4 5291 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|2,0,0]=4 5292 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|2,0,0]=4 5293 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|1,0,0]=3 5294 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|1,0,0]=3 5295 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,2,0,0,0,0|2,0,0]=4 5296 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,2,0,0,0,0|1,0,0]=3 5297 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 5298 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 5299 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,2,0,0,0,0|2,0,0]=4 5300 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,2,0,0,0,0|2,0,0]=4 5301 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,2,0,0,0,0|2,0,0]=4 5302 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [0,2,0,0,0,0|1,0,0]=3 5303 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [0,2,0,0,0,0|1,0,0]=3 5304 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|1,1,0]=4 5305 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|1,1,0]=4 5306 B10R0.74 CCN(C)CCOCCOC 2230a_100000225621_100000695917 [0,2,0,0,0,0|1,0,0]=3 5307 B10R0.74 CCN(C)CCOCCOC 269982a_100000225621_100000695917 [0,2,0,0,0,0|1,0,0]=3 5308 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|1,0,1]=4 5309 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|1,0,1]=4 5310 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|1,0,1]=4 5311 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|1,0,1]=4 5312 B10R0.74 CCOCCCSC(C)OC 62a_100009879195_100012232248 [0,2,0,0,0,0|2,0,0]=4 5313 B10R0.74 CCOCCCSC(C)OC 62a_100012232248_100009879195 [0,2,0,0,0,0|2,0,0]=4 5314 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|1,0,1]=4 5315 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|1,0,1]=4 5316 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,2,0,0,0,0|2,0,0]=4 5317 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,2,0,0,0,0|2,0,0]=4 5318 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,2,0,0,0,0|2,0,0]=4 5319 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,2,0,0,0,0|2,0,0]=4 5320 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,2,0,0,0,0|2,0,0]=4 5321 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,2,0,0,0,0|2,0,0]=4 5322 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,2,0,0,0,0|2,0,0]=4 5323 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,2,0,0,0,0|2,0,0]=4 5324 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,2,0,0,0,0|2,0,0]=4 5325 B10R0.74 CCOCCNC[C@@H](C)OC 2230a_100020591295_100011215890 [0,2,0,0,0,0|1,0,0]=3 5326 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|1,0,1]=4 5327 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|1,0,1]=4 5328 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,2,0,0,0,0|1,0,1]=4 5329 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,2,0,0,0,0|1,0,1]=4 5330 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,2,0,0,0,0|1,0,1]=4 5331 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|0,0,1]=3 5332 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|0,0,1]=3 5333 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|0,0,1]=3 5334 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,2,0,0,0,0|1,0,0]=3 5335 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,2,0,0,0,0|1,0,0]=3 5336 B10R0.74 CCOCCOCC(C)CN 34a_100000744482_100000210147 [0,2,0,0,0,0|2,0,0]=4 5337 B10R0.74 CCOCCOCC(C)OC 34a_100000690652_100000210147 [0,2,0,0,0,0|0,0,0]=2 5338 B10R0.74 CCOCCOCC(Cl)CCl 34a_100000033668_100000210147 [0,2,0,0,0,0|2,0,0]=4 5339 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,2,0,0,0,0|1,0,0]=3 5340 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,2,0,0,0,0|1,0,0]=3 5341 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,2,0,0,0,0|2,0,0]=4 5342 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,2,0,0,0,0|2,0,0]=4 5343 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,2,0,0,0,0|1,0,0]=3 5344 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,2,0,0,0,0|1,0,0]=3 5345 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,2,0,0,0,0|1,0,0]=3 5346 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,2,0,0,0,0|2,0,0]=4 5347 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,2,0,0,0,0|2,0,0]=4 5348 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,2,0,0,0,0|2,0,0]=4 5349 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,2,0,0,0,0|2,0,0]=4 5350 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,2,0,0,0,0|2,0,0]=4 5351 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,2,0,0,0,0|2,0,0]=4 5352 B10R0.74 CCOCCOC[C@H](F)CN 34a_100015665980_100000210147 [0,2,0,0,0,0|2,0,0]=4 5353 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|0,1,1]=4 5354 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|0,1,1]=4 5355 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,2,0,0,0,0|1,1,0]=4 5356 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,2,0,0,0,0|1,1,0]=4 5357 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,2,0,0,0,0|1,1,0]=4 5358 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,2,0,0,0,0|1,1,0]=4 5359 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,2,0,0,0,0|1,1,0]=4 5360 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,2,0,0,0,0|1,1,0]=4 5361 B10R0.74 CCSCCNC[C@@H](C)OC 2230a_100020591295_100000757381 [0,2,0,0,0,0|1,1,0]=4 5362 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|0,1,1]=4 5363 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|0,1,1]=4 5364 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|0,1,1]=4 5365 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|0,1,1]=4 5366 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,2,0,0,0,0|1,1,0]=4 5367 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,2,0,0,0,0|1,1,0]=4 5368 B10R0.74 CCSCCOCC(C)OC 34a_100000690652_100000757381 [0,2,0,0,0,0|0,1,0]=3 5369 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,2,0,0,0,0|1,1,0]=4 5370 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,2,0,0,0,0|1,1,0]=4 5371 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,2,0,0,0,0|1,1,0]=4 5372 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,2,0,0,0,0|1,1,0]=4 5373 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,2,0,0,0,0|1,1,0]=4 5374 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,2,0,0,0,0|2,0,0]=4 5375 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,2,0,0,0,0|2,0,0]=4 5376 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,2,0,0,0,0|2,0,0]=4 5377 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,2,0,0,0,0|2,0,0]=4 5378 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,2,0,0,0,0|2,0,0]=4 5379 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,2,0,0,0,0|2,0,0]=4 5380 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,2,0,0,0,0|2,0,0]=4 5381 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,2,0,0,0,0|2,0,0]=4 5382 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,2,0,0,0,0|2,0,0]=4 5383 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,2,0,0,0,0|2,0,0]=4 5384 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,2,0,0,0,0|2,0,0]=4 5385 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,2,0,0,0,0|1,0,0]=3 5386 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,2,0,0,0,0|1,0,0]=3 5387 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,2,0,0,0,0|1,1,0]=4 5388 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,2,0,0,0,0|1,1,0]=4 5389 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,2,0,0,0,0|1,1,0]=4 5390 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,2,0,0,0,0|1,1,0]=4 5391 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|2,0,0]=4 5392 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|2,0,0]=4 5393 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|2,0,0]=4 5394 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|2,0,0]=4 5395 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,2,0,0,0,0|2,0,0]=4 5396 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,2,0,0,0,0|2,0,0]=4 5397 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,2,0,0,0,0|2,0,0]=4 5398 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,2,0,0,0,0|1,0,0]=3 5399 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 5400 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 5401 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,2,0,0,0,0|1,0,0]=3 5402 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,2,0,0,0,0|1,0,0]=3 5403 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 5404 B10R0.74 CNC(=O)CCOCCON 34a_100000700252_100012179268 [0,2,0,0,0,0|2,0,0]=4 5405 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,2,0,0,0,0|1,1,0]=4 5406 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,2,0,0,0,0|1,1,0]=4 5407 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,2,0,0,0,0|1,1,0]=4 5408 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,2,0,0,0,0|1,1,0]=4 5409 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,2,0,0,0,0|1,1,0]=4 5410 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|1,0,1]=4 5411 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|1,0,1]=4 5412 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|2,0,0]=4 5413 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|2,0,0]=4 5414 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|2,0,0]=4 5415 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|1,0,1]=4 5416 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|1,0,0]=3 5417 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|1,0,0]=3 5418 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|1,1,0]=4 5419 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|1,1,0]=4 5420 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|1,1,0]=4 5421 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|1,1,0]=4 5422 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|1,0,1]=4 5423 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|1,0,1]=4 5424 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|1,1,0]=4 5425 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,2,0,0,0,0|2,0,0]=4 5426 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,2,0,0,0,0|2,0,0]=4 5427 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,2,0,0,0,0|2,0,0]=4 5428 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,2,0,0,0,0|2,0,0]=4 5429 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,2,0,0,0,0|1,0,0]=3 5430 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|0,1,0]=3 5431 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|0,1,0]=3 5432 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|0,2,0]=4 5433 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|0,2,0]=4 5434 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|1,0,1]=4 5435 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 5436 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 5437 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|1,0,1]=4 5438 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|1,0,1]=4 5439 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|1,0,1]=4 5440 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,1]=4 5441 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|0,1,1]=4 5442 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|0,1,1]=4 5443 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,2,0,0,0,0|0,1,1]=4 5444 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,2,0,0,0,0|0,1,1]=4 5445 B10R0.74 COC(C)CCOCCC#N 7a_100000764861_100000184422 [0,2,0,0,0,0|2,0,0]=4 5446 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [0,2,0,0,0,0|2,0,0]=4 5447 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,2,0,0,0,0|2,0,0]=4 5448 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [0,2,0,0,0,0|0,1,0]=3 5449 B10R0.74 COC(C)COCC#CCO 34a_100000690652_200000047223 [0,2,0,0,0,0|1,0,1]=4 5450 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [0,2,0,0,0,0|1,0,0]=3 5451 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [0,2,0,0,0,0|1,0,0]=3 5452 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|2,0,0]=4 5453 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|1,0,0]=3 5454 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|1,0,0]=3 5455 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|1,0,0]=3 5456 B10R0.74 COCCCCSC(C)OC 62a_100000730899_100009879195 [0,2,0,0,0,0|1,0,0]=3 5457 B10R0.74 COCCCCSC(C)OC 62a_100009879195_100000730899 [0,2,0,0,0,0|1,0,0]=3 5458 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|1,0,1]=4 5459 B10R0.74 COCCCNC[C@@H](C)OC 2230a_100020591295_100000740836 [0,2,0,0,0,0|1,0,0]=3 5460 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|0,0,1]=3 5461 B10R0.74 COCCCOCC(C)CN 34a_100000744482_100000740836 [0,2,0,0,0,0|2,0,0]=4 5462 B10R0.74 COCCCOCC(C)OC 34a_100000690652_100000740836 [0,2,0,0,0,0|0,0,0]=2 5463 B10R0.74 COCCCOCC(Cl)CCl 34a_100000033668_100000740836 [0,2,0,0,0,0|2,0,0]=4 5464 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,2,0,0,0,0|2,0,0]=4 5465 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,2,0,0,0,0|2,0,0]=4 5466 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,2,0,0,0,0|2,0,0]=4 5467 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,2,0,0,0,0|2,0,0]=4 5468 B10R0.74 COCCCOC[C@H](F)CN 34a_100015665980_100000740836 [0,2,0,0,0,0|2,0,0]=4 5469 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|0,1,1]=4 5470 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|0,1,1]=4 5471 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|1,0,0]=3 5472 B10R0.74 COCCNCCC(C)CO 2230a_106354213184_100011201679 [0,2,0,0,0,0|2,0,0]=4 5473 B10R0.74 COCCNCCC(C)CO 34a_106354213184_100011201679 [0,2,0,0,0,0|2,0,0]=4 5474 B10R0.74 COCCOCCC(=NO)N 34a_100000749954_100011201679 [0,2,0,0,0,0|2,0,0]=4 5475 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,2,0,0,0,0|1,0,0]=3 5476 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|1,0,0]=3 5477 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|0,0,0]=2 5478 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [0,2,0,0,0,0|0,0,0]=2 5479 B10R0.74 COCCOCNC(C)C#N 2230a_100000737613_100000231047 [0,2,0,0,0,0|2,0,0]=4 5480 B10R0.74 COCCOCN[C@H](C)CO 2230a_100000737577_100000231047 [0,2,0,0,0,0|2,0,0]=4 5481 B10R0.74 COCCOCSC(C)C#N 62a_100000231047_100000703298 [0,2,0,0,0,0|2,0,0]=4 5482 B10R0.74 COCCOCSC(C)C#N 62a_100000703298_100000231047 [0,2,0,0,0,0|2,0,0]=4 5483 B10R0.74 COCCOCSC(C)CO 62a_100012180447_100000231047 [0,2,0,0,0,0|2,0,0]=4 5484 B10R0.74 COCCOCSC(C)OC 62a_100000231047_100009879195 [0,2,0,0,0,0|0,0,0]=2 5485 B10R0.74 COCCOCSC(C)OC 62a_100009879195_100000231047 [0,2,0,0,0,0|0,0,0]=2 5486 B10R0.74 COCCOCSC(F)C#N 62a_100000231047_200000117898 [0,2,0,0,0,0|2,0,0]=4 5487 B10R0.74 COCCOCSC(F)C#N 62a_200000117898_100000231047 [0,2,0,0,0,0|2,0,0]=4 5488 B10R0.74 COCCOCS[C@H](C)CO 62a_100000231047_100016084084 [0,2,0,0,0,0|2,0,0]=4 5489 B10R0.74 COCCOCS[C@H](C)CO 62a_100016084084_100000231047 [0,2,0,0,0,0|2,0,0]=4 5490 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|0,1,0]=3 5491 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|0,1,0]=3 5492 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,2,0,0,0,0|0,1,1]=4 5493 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|1,0,1]=4 5494 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|1,0,1]=4 5495 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [0,2,0,0,0,0|2,0,0]=4 5496 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [0,2,0,0,0,0|2,0,0]=4 5497 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|2,0,0]=4 5498 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|2,0,0]=4 5499 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,2,0,0,0,0|2,0,0]=4 5500 B10R0.75 COCCNCC(O)C(C)C 2230a_100000759067_100011201679 [0,2,0,0,0,0|2,0,0]=4 5501 B10R0.75 COCCNCC(O)C(C)C 34a_100000759067_100011201679 [0,2,0,0,0,0|2,0,0]=4 5502 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|1,0,1]=4 5503 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [0,2,0,0,0,0|1,0,1]=4 5504 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [0,2,0,0,0,0|1,0,1]=4 5505 B10R0.75 COCCOCC(=O)N(C)C 11a_100102631434_100000211095 [0,2,0,0,0,0|1,0,1]=4 5506 B10R0.75 COCCOCC(=O)N(C)C 1626a_100102631434_100000211095 [0,2,0,0,0,0|1,0,1]=4 5507 B10R0.75 COCCOCC(=O)N(C)C 240690a_100102631434_100000211095 [0,2,0,0,0,0|1,0,1]=4 5508 B10R0.75 COCCOCC(=O)N(C)C 34a_100000210237_100000692301 [0,2,0,0,0,0|1,0,1]=4 5509 B10R0.75 COCCOCC(=O)N(C)C 527a_100102631434_100000211095 [0,2,0,0,0,0|1,0,1]=4 5510 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,2,0,0,0,0|1,0,0]=3 5511 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,2,0,0,0,0|1,0,0]=3 5512 B10R0.75 COCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011201679 [0,2,0,0,0,0|2,0,0]=4 5513 B10R0.75 COCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000233755 [0,2,0,0,0,0|2,0,0]=4 5514 B10R0.75 COCCOCN(C)C(C)C 269982a_200000211004_100000231047 [0,2,0,0,0,0|2,0,0]=4 5515 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,2,0,0,0,0|2,0,0]=4 5516 B10R0.75 COCCOC[C@H](N)C(C)C 34a_100011830312_100011201679 [0,2,0,0,0,0|1,0,0]=3 5517 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,2,0,0,0,0|1,1,0]=4 5518 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,2,0,0,0,0|1,1,0]=4 5519 B10R0.75 CSCCOC[C@H](N)C(C)C 34a_100011830312_100000212216 [0,2,0,0,0,0|1,1,0]=4 5520 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,2,0,0,0,0|2,0,0]=4 5521 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,2,0,0,0,0|2,0,0]=4 5522 B10R0.78 C=C(C)CCN(C)CCOC 2230a_100000743101_100000730704 [0,2,0,0,0,0|2,0,0]=4 5523 B10R0.78 C=C(C)CCN(C)CCOC 269982a_100000743101_100000730704 [0,2,0,0,0,0|2,0,0]=4 5524 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,2,0,0,0,0|2,0,0]=4 5525 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,2,0,0,0,0|2,0,0]=4 5526 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,2,0,0,0,0|2,0,0]=4 5527 B10R0.78 COCCC(=O)CC[S+](C)C 1458a_100009452791_100000233755 [0,2,0,0,0,0|1,1,0]=4 5528 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [0,2,0,0,0,0|2,0,0]=4 5529 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [0,2,0,0,0,0|2,0,0]=4 5530 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [0,2,0,0,0,0|2,0,0]=4 5531 B10R0.78 COCCN(C)CCC(C)C 2230a_100000742789_100011201679 [0,2,0,0,0,0|2,0,0]=4 5532 B10R0.78 COCCN(C)CCC(C)C 2230a_100000743101_100000210312 [0,2,0,0,0,0|2,0,0]=4 5533 B10R0.78 COCCN(C)CCC(C)C 269982a_100000742789_100000233755 [0,2,0,0,0,0|2,0,0]=4 5534 B10R0.78 COCCN(C)CCC(C)C 269982a_100000743101_100000210312 [0,2,0,0,0,0|2,0,0]=4 5535 B10R0.78 COCCN(C)CCC(C)O 2230a_100000743101_100012276601 [0,2,0,0,0,0|2,0,0]=4 5536 B10R0.78 COCCN(C)CCC(C)O 269982a_100000743101_100012276601 [0,2,0,0,0,0|2,0,0]=4 5537 B10R0.78 COCCN(C)CCN(C)C 269982a_100000225618_100000233755 [0,2,0,0,0,0|2,0,0]=4 5538 B10R0.78 COCCN(C)CCN(C)C 269982a_100000743101_100000755713 [0,2,0,0,0,0|2,0,0]=4 5539 B10R0.97 C=C(C)CCOCCC(=C)C 34a_100000764851_100000730704 [0,2,0,0,0,0|2,0,0]=4 5540 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,2,0,0,0,0|2,0,0]=4 5541 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,2,0,0,0,0|2,0,0]=4 5542 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [0,2,0,0,0,0|2,0,0]=4 5543 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [0,2,0,0,0,0|2,0,0]=4 5544 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [0,2,0,0,0,0|2,0,0]=4 5545 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [0,2,0,0,0,0|2,0,0]=4 5546 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,2,0,0,0,0|2,0,0]=4 5547 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [0,2,0,0,0,0|2,0,0]=4 5548 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,2,0,0,0,0|2,0,0]=4 5549 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,2,0,0,0,0|2,0,0]=4 5550 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,2,0,0,0,0|2,0,0]=4 5551 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,2,0,0,0,0|2,0,0]=4 5552 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,2,0,0,0,0|2,0,0]=4 5553 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,2,0,0,0,0|2,0,0]=4 5554 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,2,0,0,0,0|2,0,0]=4 5555 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [0,2,0,0,0,0|2,0,0]=4 5556 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [0,2,0,0,0,0|2,0,0]=4 5557 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [0,2,0,0,0,0|2,0,0]=4 5558 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [0,2,0,0,0,0|2,0,0]=4 5559 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [0,2,0,0,0,0|2,0,0]=4 5560 B10R0.97 CC(C)CCOCCN(C)C 7a_100000210254_100000755713 [0,2,0,0,0,0|2,0,0]=4 5561 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [0,2,0,0,0,0|2,0,0]=4 5562 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [0,2,0,0,0,0|2,0,0]=4 5563 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [0,2,0,0,0,0|2,0,0]=4 5564 B10R0.1 C#CCC(=O)COCCOC 1458a_100000211095_100000184674 [0,2,0,0,0,0|1,0,1]=4 5565 B10R0.1 C#CCC(C)OCCCOC 34a_100000685586_100000740836 [0,2,0,0,0,0|1,0,1]=4 5566 B10R0.1 C#CCC(C)OCCCOC 7a_100000685586_100000740836 [0,2,0,0,0,0|1,0,1]=4 5567 B10R0.1 C#CCC(C)OCCOCC 34a_100000685586_100000210147 [0,2,0,0,0,0|1,0,1]=4 5568 B10R0.1 C#CCC(C)OCCOCC 7a_100000685586_100011215890 [0,2,0,0,0,0|1,0,1]=4 5569 B10R0.1 C#CCCCOC(C)COC 34a_100000215630_100000765312 [0,2,0,0,0,0|1,0,1]=4 5570 B10R0.1 C#CCCCOC(C)COC 7a_100000215630_100000765312 [0,2,0,0,0,0|1,0,1]=4 5571 B10R0.1 C#CCCCO[C@H](C)COC 34a_100011934205_100000695029 [0,2,0,0,0,0|1,0,1]=4 5572 B10R0.1 C#CCCOCC(N)COC 34a_100000724102_100000688953 [0,2,0,0,0,0|1,0,1]=4 5573 B10R0.1 C#CCCOCC(O)COC 34a_100011215631_100011215053 [0,2,0,0,0,0|1,0,1]=4 5574 B10R0.1 C#CCN(C)COCCOC 2230a_100000225692_100000231047 [0,2,0,0,0,0|1,0,1]=4 5575 B10R0.1 C/C=C/C(C)OCCCOC 34a_200102604097_100000740836 [0,2,0,0,0,0|1,0,1]=4 5576 B10R0.1 C/C=C/C(C)OCCOCC 34a_200102604097_100000210147 [0,2,0,0,0,0|1,0,1]=4 5577 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [0,2,0,0,0,0|2,0,0]=4 5578 B10R0.1 C/C=C/CCOC(C)COC 34a_100016278192_100000765312 [0,2,0,0,0,0|1,0,0]=3 5579 B10R0.1 C/C=C/COCC(N)COC 34a_100000724102_100102629194 [0,2,0,0,0,0|1,0,1]=4 5580 B10R0.1 C/C=C/COCC(O)COC 34a_100016270725_100011215053 [0,2,0,0,0,0|1,0,1]=4 5581 B10R0.1 C=CCC(=O)COCCOC 1458a_100000211095_100000210623 [0,2,0,0,0,0|1,0,1]=4 5582 B10R0.1 C=CCC(C)COCCOC 34a_100009832082_100011201679 [0,2,0,0,0,0|1,0,1]=4 5583 B10R0.1 C=CCC(C)COCCOC 7a_100009832082_100000233755 [0,2,0,0,0,0|1,0,1]=4 5584 B10R0.1 C=CCCCOC(C)COC 34a_100000758997_100000765312 [0,2,0,0,0,0|1,0,1]=4 5585 B10R0.1 C=CCCCOC(C)COC 7a_100000758997_100000765312 [0,2,0,0,0,0|1,0,1]=4 5586 B10R0.1 C=CCCCO[C@H](C)COC 34a_100011934205_100000757094 [0,2,0,0,0,0|1,0,1]=4 5587 B10R0.1 C=CCCOCC(N)COC 34a_100000724102_100000754431 [0,2,0,0,0,0|1,0,1]=4 5588 B10R0.1 C=CCCOCC(O)COC 34a_100011205117_100011215053 [0,2,0,0,0,0|1,0,1]=4 5589 B10R0.1 C=CCN(C)COCCOC 2230a_100000225617_100000231047 [0,2,0,0,0,0|1,0,1]=4 5590 B10R0.1 C=CCN(C)COCCOC 269982a_100000225617_100000231047 [0,2,0,0,0,0|1,0,1]=4 5591 B10R0.1 C=CC[C@@H](C)OCCCOC 34a_100000731007_100000740836 [0,2,0,0,0,0|1,0,1]=4 5592 B10R0.1 C=CC[C@@H](C)OCCCOC 7a_100000731007_100000740836 [0,2,0,0,0,0|1,0,1]=4 5593 B10R0.1 C=CC[C@@H](C)OCCOCC 34a_100000731007_100000210147 [0,2,0,0,0,0|1,0,1]=4 5594 B10R0.1 C=CC[C@@H](C)OCCOCC 7a_100000731007_100011215890 [0,2,0,0,0,0|1,0,1]=4 5595 B10R0.1 C=CC[C@@H](N)COCCOC 34a_100020615467_100011201679 [0,2,0,0,0,0|1,0,1]=4 5596 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [0,2,0,0,0,0|0,0,2]=4 5597 B10R0.1 C=COCCN[C@H](C)COC 2230a_100000764878_100000039644 [0,2,0,0,0,0|1,0,1]=4 5598 B10R0.1 C=COCCOC(C)CCC 34a_100000033082_100000766640 [0,2,0,0,0,0|1,0,1]=4 5599 B10R0.1 C=COCCOC(C)CCC 34a_100000764384_100000039644 [0,2,0,0,0,0|1,0,1]=4 5600 B10R0.1 C=COCCOC(C)CCC 7a_100000764384_100000039644 [0,2,0,0,0,0|1,0,1]=4 5601 B10R0.1 C=COCCOC(C)COC 34a_100000033082_100000765312 [0,2,0,0,0,0|0,0,1]=3 5602 B10R0.1 C=COCCO[C@H](C)COC 34a_100011934205_100000039644 [0,2,0,0,0,0|0,0,1]=3 5603 B10R0.1 C=COCCSC(C)COC 62a_100000039644_100000765312 [0,2,0,0,0,0|0,1,1]=4 5604 B10R0.1 C=COCCSC(C)COC 62a_100000765312_100000039644 [0,2,0,0,0,0|0,1,1]=4 5605 B10R0.1 CC#CC(C)OCCCOC 34a_100011216543_100000740836 [0,2,0,0,0,0|1,0,1]=4 5606 B10R0.1 CC#CC(C)OCCOCC 34a_100011216543_100000210147 [0,2,0,0,0,0|1,0,1]=4 5607 B10R0.1 CC#CCCOC(C)CCC 34a_100000750427_100000766640 [0,2,0,0,0,0|2,0,0]=4 5608 B10R0.1 CC#CCCOC(C)COC 34a_100000750427_100000765312 [0,2,0,0,0,0|1,0,0]=3 5609 B10R0.1 CC#CCOCC(N)COC 34a_100000724102_100000748600 [0,2,0,0,0,0|1,0,1]=4 5610 B10R0.1 CC#CCOCC(O)COC 34a_100000761923_100011215053 [0,2,0,0,0,0|1,0,1]=4 5611 B10R0.1 CC/C=C\COC(C)COC 34a_100016268518_100000765312 [0,2,0,0,0,0|1,0,1]=4 5612 B10R0.1 CC/C=C\CO[C@H](C)COC 34a_100011934205_100103147603 [0,2,0,0,0,0|1,0,1]=4 5613 B10R0.1 CC=CCOCC(N)COC 34a_100000724102_100000070051 [0,2,0,0,0,0|1,0,1]=4 5614 B10R0.1 CCC#CCOC(C)COC 34a_100000032950_100000765312 [0,2,0,0,0,0|1,0,1]=4 5615 B10R0.1 CCC#CCO[C@H](C)COC 34a_100011934205_100009813939 [0,2,0,0,0,0|1,0,1]=4 5616 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|2,0,0]=4 5617 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,2,0,0,0,0|2,0,0]=4 5618 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,2,0,0,0,0|1,0,0]=3 5619 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,2,0,0,0,0|1,1,0]=4 5620 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,2,0,0,0,0|1,1,0]=4 5621 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,2,0,0,0,0|1,1,0]=4 5622 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,2,0,0,0,0|1,0,1]=4 5623 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,2,0,0,0,0|2,0,0]=4 5624 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,2,0,0,0,0|2,0,0]=4 5625 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [0,2,0,0,0,0|2,0,0]=4 5626 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [0,2,0,0,0,0|2,0,0]=4 5627 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [0,2,0,0,0,0|2,0,0]=4 5628 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [0,2,0,0,0,0|2,0,0]=4 5629 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [0,2,0,0,0,0|1,0,0]=3 5630 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [0,2,0,0,0,0|1,0,0]=3 5631 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [0,2,0,0,0,0|1,0,0]=3 5632 B10R0.1 CCCC(C)COCCON 34a_100000700252_100011216630 [0,2,0,0,0,0|2,0,0]=4 5633 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [0,2,0,0,0,0|1,1,0]=4 5634 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [0,2,0,0,0,0|1,1,0]=4 5635 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [0,2,0,0,0,0|1,1,0]=4 5636 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [0,2,0,0,0,0|1,1,0]=4 5637 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [0,2,0,0,0,0|1,1,0]=4 5638 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [0,2,0,0,0,0|1,1,0]=4 5639 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [0,2,0,0,0,0|2,0,0]=4 5640 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [0,2,0,0,0,0|2,0,0]=4 5641 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [0,2,0,0,0,0|2,0,0]=4 5642 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [0,2,0,0,0,0|2,0,0]=4 5643 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [0,2,0,0,0,0|2,0,0]=4 5644 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [0,2,0,0,0,0|2,0,0]=4 5645 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [0,2,0,0,0,0|2,0,0]=4 5646 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,2,0,0,0,0|2,0,0]=4 5647 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,2,0,0,0,0|2,0,0]=4 5648 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,2,0,0,0,0|2,0,0]=4 5649 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,2,0,0,0,0|2,0,0]=4 5650 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,2,0,0,0,0|2,0,0]=4 5651 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,2,0,0,0,0|2,0,0]=4 5652 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,2,0,0,0,0|2,0,0]=4 5653 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,2,0,0,0,0|2,0,0]=4 5654 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,2,0,0,0,0|2,0,0]=4 5655 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,2,0,0,0,0|2,0,0]=4 5656 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,2,0,0,0,0|2,0,0]=4 5657 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,2,0,0,0,0|2,0,0]=4 5658 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,2,0,0,0,0|1,0,0]=3 5659 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,2,0,0,0,0|1,0,0]=3 5660 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,2,0,0,0,0|1,0,0]=3 5661 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,2,0,0,0,0|1,1,0]=4 5662 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,2,0,0,0,0|1,1,0]=4 5663 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [0,2,0,0,0,0|1,0,0]=3 5664 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [0,2,0,0,0,0|1,0,0]=3 5665 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [0,2,0,0,0,0|1,0,0]=3 5666 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [0,2,0,0,0,0|1,0,0]=3 5667 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [0,2,0,0,0,0|1,1,0]=4 5668 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [0,2,0,0,0,0|1,1,0]=4 5669 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [0,2,0,0,0,0|1,1,0]=4 5670 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [0,2,0,0,0,0|1,1,0]=4 5671 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [0,2,0,0,0,0|1,1,0]=4 5672 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [0,2,0,0,0,0|1,1,0]=4 5673 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [0,2,0,0,0,0|1,1,0]=4 5674 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [0,2,0,0,0,0|1,1,0]=4 5675 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|2,0,0]=4 5676 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,2,0,0,0,0|2,0,0]=4 5677 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,2,0,0,0,0|2,0,0]=4 5678 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,2,0,0,0,0|2,0,0]=4 5679 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,2,0,0,0,0|2,0,0]=4 5680 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,2,0,0,0,0|2,0,0]=4 5681 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 5682 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 5683 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,2,0,0,0,0|2,0,0]=4 5684 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,2,0,0,0,0|2,0,0]=4 5685 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,2,0,0,0,0|2,0,0]=4 5686 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,2,0,0,0,0|2,0,0]=4 5687 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,2,0,0,0,0|2,0,0]=4 5688 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,2,0,0,0,0|2,0,0]=4 5689 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,2,0,0,0,0|2,0,0]=4 5690 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,2,0,0,0,0|1,0,0]=3 5691 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,2,0,0,0,0|1,0,0]=3 5692 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,2,0,0,0,0|1,0,0]=3 5693 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,2,0,0,0,0|1,1,0]=4 5694 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,2,0,0,0,0|1,1,0]=4 5695 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,2,0,0,0,0|2,0,0]=4 5696 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,2,0,0,0,0|2,0,0]=4 5697 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,2,0,0,0,0|2,0,0]=4 5698 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|2,0,0]=4 5699 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|2,0,0]=4 5700 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|2,0,0]=4 5701 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|1,0,0]=3 5702 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|1,1,0]=4 5703 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|1,0,1]=4 5704 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|1,0,1]=4 5705 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,2,0,0,0,0|2,0,0]=4 5706 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,2,0,0,0,0|2,0,0]=4 5707 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,2,0,0,0,0|2,0,0]=4 5708 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,2,0,0,0,0|2,0,0]=4 5709 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,2,0,0,0,0|2,0,0]=4 5710 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,2,0,0,0,0|1,0,0]=3 5711 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,2,0,0,0,0|1,0,0]=3 5712 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,2,0,0,0,0|1,0,0]=3 5713 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,2,0,0,0,0|1,0,0]=3 5714 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,2,0,0,0,0|1,0,0]=3 5715 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,2,0,0,0,0|1,0,0]=3 5716 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,2,0,0,0,0|1,0,0]=3 5717 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,2,0,0,0,0|2,0,0]=4 5718 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,2,0,0,0,0|2,0,0]=4 5719 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,2,0,0,0,0|2,0,0]=4 5720 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,2,0,0,0,0|1,1,0]=4 5721 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,2,0,0,0,0|1,1,0]=4 5722 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,2,0,0,0,0|2,0,0]=4 5723 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,2,0,0,0,0|2,0,0]=4 5724 B10R0.1 CCCN(C)COCCOC 2230a_100000747261_100000231047 [0,2,0,0,0,0|1,0,0]=3 5725 B10R0.1 CCCN(C)COCCOC 269982a_100000747261_100000231047 [0,2,0,0,0,0|1,0,0]=3 5726 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [0,2,0,0,0,0|1,0,0]=3 5727 B10R0.1 CCC[C@H](N)COCCSC 34a_100000732646_100000212216 [0,2,0,0,0,0|1,1,0]=4 5728 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,2,0,0,0,0|1,0,1]=4 5729 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,2,0,0,0,0|1,0,1]=4 5730 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,2,0,0,0,0|1,0,1]=4 5731 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,2,0,0,0,0|1,0,1]=4 5732 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|1,0,1]=4 5733 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|1,0,1]=4 5734 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|1,0,1]=4 5735 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|1,0,1]=4 5736 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|1,0,1]=4 5737 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|0,0,1]=3 5738 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|0,0,1]=3 5739 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,2,0,0,0,0|1,0,1]=4 5740 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|0,1,1]=4 5741 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|0,1,1]=4 5742 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|0,1,1]=4 5743 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|0,1,1]=4 5744 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|0,1,1]=4 5745 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|0,1,1]=4 5746 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|0,1,1]=4 5747 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|0,1,1]=4 5748 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|0,1,1]=4 5749 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|0,1,1]=4 5750 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|1,0,1]=4 5751 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,2,0,0,0,0|1,0,1]=4 5752 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,2,0,0,0,0|1,0,1]=4 5753 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,2,0,0,0,0|1,0,1]=4 5754 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,2,0,0,0,0|1,0,1]=4 5755 B10R0.1 CCOCCNC(C)COC 2230a_102516460346_100000765312 [0,2,0,0,0,0|1,0,0]=3 5756 B10R0.1 CCOCCNC(C)COC 270004a_102516460346_100000749346 [0,2,0,0,0,0|1,0,0]=3 5757 B10R0.1 CCOCCNC(C)COC 34a_102516460346_100000765312 [0,2,0,0,0,0|1,0,0]=3 5758 B10R0.1 CCOCCNC(C)CSC 270004a_102516460346_100011216314 [0,2,0,0,0,0|1,1,0]=4 5759 B10R0.1 CCOCCN[C@H](C)COC 2230a_100000764878_100011215890 [0,2,0,0,0,0|1,0,0]=3 5760 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,2,0,0,0,0|1,0,1]=4 5761 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,2,0,0,0,0|1,0,1]=4 5762 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,2,0,0,0,0|1,0,1]=4 5763 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|0,0,1]=3 5764 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,2,0,0,0,0|0,1,1]=4 5765 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,2,0,0,0,0|0,1,1]=4 5766 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,2,0,0,0,0|0,1,1]=4 5767 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,2,0,0,0,0|0,1,1]=4 5768 B10R0.1 CCOCCOC(C)CC#N 7a_100000210136_100009813641 [0,2,0,0,0,0|2,0,0]=4 5769 B10R0.1 CCOCCOC(C)CCBr 34a_100012276601_100000210147 [0,2,0,0,0,0|2,0,0]=4 5770 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [0,2,0,0,0,0|2,0,0]=4 5771 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [0,2,0,0,0,0|2,0,0]=4 5772 B10R0.1 CCOCCOC(C)COC 34a_100000210136_100000765312 [0,2,0,0,0,0|0,0,0]=2 5773 B10R0.1 CCOCCOC(C)COC 7a_100000210136_100000765312 [0,2,0,0,0,0|0,0,0]=2 5774 B10R0.1 CCOCCO[C@H](C)COC 34a_100011934205_100000210147 [0,2,0,0,0,0|0,0,0]=2 5775 B10R0.1 CCOCCSC(C)COC 62a_100000210147_100000765312 [0,2,0,0,0,0|0,1,0]=3 5776 B10R0.1 CCOCCSC(C)COC 62a_100000765312_100011215890 [0,2,0,0,0,0|0,1,0]=3 5777 B10R0.1 CCOCSCC(O)COC 62a_100000739092_100011215053 [0,2,0,0,0,0|2,0,0]=4 5778 B10R0.1 CCOCSCC(O)COC 62a_100011215053_100000739092 [0,2,0,0,0,0|2,0,0]=4 5779 B10R0.1 CCSCCNC(C)COC 2230a_100000106463_100000765312 [0,2,0,0,0,0|1,1,0]=4 5780 B10R0.1 CCSCCNC(C)COC 270004a_100000106463_100000749346 [0,2,0,0,0,0|1,1,0]=4 5781 B10R0.1 CCSCCN[C@H](C)COC 2230a_100000764878_100000757381 [0,2,0,0,0,0|1,1,0]=4 5782 B10R0.1 CCSCCOC(C)COC 34a_100000212035_100000765312 [0,2,0,0,0,0|0,1,0]=3 5783 B10R0.1 CCSCCOC(C)COC 7a_100000212035_100000765312 [0,2,0,0,0,0|0,1,0]=3 5784 B10R0.1 CCSCCO[C@H](C)COC 34a_100011934205_100000757381 [0,2,0,0,0,0|0,1,0]=3 5785 B10R0.1 CCSCCSC(C)COC 62a_100000757381_100000765312 [0,2,0,0,0,0|0,2,0]=4 5786 B10R0.1 CCSCCSC(C)COC 62a_100000765312_100000757381 [0,2,0,0,0,0|0,2,0]=4 5787 B10R0.1 CNCCCOC(C)COC 34a_100000213112_100000765312 [0,2,0,0,0,0|1,0,0]=3 5788 B10R0.1 CNNC(=O)COCCOC 22a_100016993582_100000211095 [0,2,0,0,0,0|1,0,1]=4 5789 B10R0.1 COCC(C)NCCCCO 2230a_100000750430_100000765312 [0,2,0,0,0,0|2,0,0]=4 5790 B10R0.1 COCC(C)NCCCCO 270004a_100000750430_100000749346 [0,2,0,0,0,0|2,0,0]=4 5791 B10R0.1 COCC(C)NCCCCO 34a_100000750430_100000765312 [0,2,0,0,0,0|2,0,0]=4 5792 B10R0.1 COCC(C)NCCCSC 2230a_100000749238_100000765312 [0,2,0,0,0,0|1,1,0]=4 5793 B10R0.1 COCC(C)NCCCSC 270004a_100000749238_100000749346 [0,2,0,0,0,0|1,1,0]=4 5794 B10R0.1 COCC(C)OCC#CCCl 34a_200000047223_100000765312 [0,2,0,0,0,0|1,0,1]=4 5795 B10R0.1 COCC(C)OCCCCBr 34a_100011216708_100000765312 [0,2,0,0,0,0|1,0,0]=3 5796 B10R0.1 COCC(C)OCCCCCl 34a_100000210776_100000765312 [0,2,0,0,0,0|1,0,0]=3 5797 B10R0.1 COCC(C)OCCCCCl 7a_100000210776_100000765312 [0,2,0,0,0,0|1,0,0]=3 5798 B10R0.1 COCC(C)OCCCCF 34a_100011995726_100000765312 [0,2,0,0,0,0|1,0,0]=3 5799 B10R0.1 COCC(C)OCCCCF 7a_100011995726_100000765312 [0,2,0,0,0,0|1,0,0]=3 5800 B10R0.1 COCC(C)OCCCCI 34a_200012148704_100000765312 [0,2,0,0,0,0|1,0,0]=3 5801 B10R0.1 COCC(C)OCCCCN 34a_100000750430_100000765312 [0,2,0,0,0,0|1,0,0]=3 5802 B10R0.1 COCC(C)OCCCSC 34a_100000690336_100000765312 [0,2,0,0,0,0|0,1,0]=3 5803 B10R0.1 COCC(C)OCCCSC 7a_100000690336_100000765312 [0,2,0,0,0,0|0,1,0]=3 5804 B10R0.1 COCC(C)SCCCCF 62a_100000729493_100000765312 [0,2,0,0,0,0|1,1,0]=4 5805 B10R0.1 COCC(C)SCCCCF 62a_100000765312_100000729493 [0,2,0,0,0,0|1,1,0]=4 5806 B10R0.1 COCC(C)SCCCCO 62a_100000210776_100000765312 [0,2,0,0,0,0|1,1,0]=4 5807 B10R0.1 COCC(C)SCCCCO 62a_100000765312_100000210776 [0,2,0,0,0,0|1,1,0]=4 5808 B10R0.1 COCC(N)COCCCF 34a_100000724102_100011934791 [0,2,0,0,0,0|2,0,0]=4 5809 B10R0.1 COCC(N)COCCCO 34a_100000724102_100000230001 [0,2,0,0,0,0|2,0,0]=4 5810 B10R0.1 COCC(N)COCCSC 34a_100000724102_100000212216 [0,2,0,0,0,0|0,1,0]=3 5811 B10R0.1 COCC(O)CNCCSC 2230a_100000756049_100000751147 [0,2,0,0,0,0|1,1,0]=4 5812 B10R0.1 COCC(O)CNCCSC 34a_100000756049_100000212216 [0,2,0,0,0,0|1,1,0]=4 5813 B10R0.1 COCC(O)COCCCBr 34a_100011217188_100011215053 [0,2,0,0,0,0|2,0,0]=4 5814 B10R0.1 COCC(O)COCCCCl 34a_100000230001_100011215053 [0,2,0,0,0,0|2,0,0]=4 5815 B10R0.1 COCC(O)COCCCF 34a_100000759539_100011215053 [0,2,0,0,0,0|2,0,0]=4 5816 B10R0.1 COCC(O)COCCCN 34a_100000182051_100011215053 [0,2,0,0,0,0|2,0,0]=4 5817 B10R0.1 COCC(O)COCCON 34a_100000700252_100011215053 [0,2,0,0,0,0|1,0,0]=3 5818 B10R0.1 COCC(O)COCCSC 34a_100000230434_100011215053 [0,2,0,0,0,0|0,1,0]=3 5819 B10R0.1 COCC(O)COCCSC 7a_100000230434_100011215053 [0,2,0,0,0,0|0,1,0]=3 5820 B10R0.1 COCC(O)CSCCSC 62a_100000212216_100011215053 [0,2,0,0,0,0|0,2,0]=4 5821 B10R0.1 COCC(O)CSCCSC 62a_100011215053_100000751147 [0,2,0,0,0,0|0,2,0]=4 5822 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|1,0,0]=3 5823 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|1,1,0]=4 5824 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|1,0,1]=4 5825 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|1,0,1]=4 5826 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|1,0,1]=4 5827 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|1,0,1]=4 5828 B10R0.1 COCCCNC(C)COC 270004a_100150723488_100000749346 [0,2,0,0,0,0|1,0,0]=3 5829 B10R0.1 COCCCNC(C)COC 34a_100150723488_100000765312 [0,2,0,0,0,0|1,0,0]=3 5830 B10R0.1 COCCCNC(C)CSC 270004a_100150723488_100011216314 [0,2,0,0,0,0|1,1,0]=4 5831 B10R0.1 COCCCN[C@H](C)COC 2230a_100000764878_100000740836 [0,2,0,0,0,0|1,0,0]=3 5832 B10R0.1 COCCCOC(C)CCBr 34a_100012276601_100000740836 [0,2,0,0,0,0|2,0,0]=4 5833 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [0,2,0,0,0,0|2,0,0]=4 5834 B10R0.1 COCCCOC(C)COC 34a_100000740835_100000765312 [0,2,0,0,0,0|0,0,0]=2 5835 B10R0.1 COCCCO[C@H](C)COC 34a_100011934205_100000740836 [0,2,0,0,0,0|0,0,0]=2 5836 B10R0.1 COCCCSC(C)COC 62a_100000709357_100000765312 [0,2,0,0,0,0|0,1,0]=3 5837 B10R0.1 COCCCSC(C)COC 62a_100000765312_100000709357 [0,2,0,0,0,0|0,1,0]=3 5838 B10R0.1 COCCNCC(O)COC 2230a_100000756049_100011201679 [0,2,0,0,0,0|1,0,0]=3 5839 B10R0.1 COCCNCC(O)COC 34a_100000756049_100011201679 [0,2,0,0,0,0|1,0,0]=3 5840 B10R0.1 COCCNNC(=O)COC 22a_100000741390_100000210968 [0,2,0,0,0,0|1,0,1]=4 5841 B10R0.1 COCCOCC(=O)CC#N 1458a_100000211095_100011214920 [0,2,0,0,0,0|2,0,0]=4 5842 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,2,0,0,0,0|1,0,1]=4 5843 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,2,0,0,0,0|1,0,1]=4 5844 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,2,0,0,0,0|1,0,1]=4 5845 B10R0.1 COCCOCC(C)CCN 34a_106354213184_100011201679 [0,2,0,0,0,0|1,0,0]=3 5846 B10R0.1 COCCOCC(N)COC 34a_100000724102_100011201679 [0,2,0,0,0,0|0,0,0]=2 5847 B10R0.1 COCCOCC(O)COC 34a_100000210237_100011215053 [0,2,0,0,0,0|0,0,0]=2 5848 B10R0.1 COCCOCN(C)CC#N 2230a_100000748184_100000231047 [0,2,0,0,0,0|2,0,0]=4 5849 B10R0.1 COCCOCN(C)CCO 2230a_100000210263_100000231047 [0,2,0,0,0,0|2,0,0]=4 5850 B10R0.1 COCCOCN(C)CCO 269982a_100000210263_100000231047 [0,2,0,0,0,0|2,0,0]=4 5851 B10R0.1 COCCSCC(O)COC 62a_100000233755_100011215053 [0,2,0,0,0,0|0,1,0]=3 5852 B10R0.1 COCCSCC(O)COC 62a_100011215053_100000233755 [0,2,0,0,0,0|0,1,0]=3 5853 B10R0.1 COC[C@@H](C)NCCCCF 2230a_100000764878_100000729493 [0,2,0,0,0,0|2,0,0]=4 5854 B10R0.1 COC[C@@H](C)NCCCCO 2230a_100000764878_100000210776 [0,2,0,0,0,0|2,0,0]=4 5855 B10R0.1 COC[C@@H](C)OCC#CCO 34a_100011934205_200000047223 [0,2,0,0,0,0|1,0,1]=4 5856 B10R0.1 COC[C@@H](C)OCCCCF 34a_100011934205_100000729493 [0,2,0,0,0,0|1,0,0]=3 5857 B10R0.1 COC[C@@H](C)OCCCCO 34a_100011934205_100011216708 [0,2,0,0,0,0|1,0,0]=3 5858 B10R0.1 CSCCOCC(C)CCN 34a_106354213184_100000212216 [0,2,0,0,0,0|1,1,0]=4 5859 B10R0.2 C#CCC(C)OC(C)COC 34a_100000685586_100000765312 [0,2,0,0,0,0|1,0,1]=4 5860 B10R0.2 C#CCC(C)OC(C)COC 7a_100000685586_100000765312 [0,2,0,0,0,0|1,0,1]=4 5861 B10R0.2 C/C=C/C(C)OC(C)COC 34a_200102604097_100000765312 [0,2,0,0,0,0|1,0,1]=4 5862 B10R0.2 C=CC[C@@H](C)OC(C)COC 34a_100000731007_100000765312 [0,2,0,0,0,0|1,0,1]=4 5863 B10R0.2 C=CC[C@@H](C)OC(C)COC 7a_100000731007_100000765312 [0,2,0,0,0,0|1,0,1]=4 5864 B10R0.2 CC#CC(C)OC(C)COC 34a_100011216543_100000765312 [0,2,0,0,0,0|1,0,1]=4 5865 B10R0.2 CCCC(C)NC(C)COC 2230a_100000741246_100000765312 [0,2,0,0,0,0|2,0,0]=4 5866 B10R0.2 CCCC(C)NC(C)COC 270004a_100000741246_100000749346 [0,2,0,0,0,0|2,0,0]=4 5867 B10R0.2 CCCC(C)N[C@H](C)COC 2230a_100000764878_100000766640 [0,2,0,0,0,0|2,0,0]=4 5868 B10R0.2 CCCC(C)N[C@H](C)COC 270004a_100000764878_100000211909 [0,2,0,0,0,0|2,0,0]=4 5869 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [0,2,0,0,0,0|2,0,0]=4 5870 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [0,2,0,0,0,0|2,0,0]=4 5871 B10R0.2 CCCC(C)OC(C)COC 34a_100000764384_100000765312 [0,2,0,0,0,0|1,0,0]=3 5872 B10R0.2 CCCC(C)OC(C)COC 7a_100000764384_100000765312 [0,2,0,0,0,0|1,0,0]=3 5873 B10R0.2 CCCC(C)O[C@H](C)COC 34a_100011934205_100000766640 [0,2,0,0,0,0|1,0,0]=3 5874 B10R0.2 CCCC(C)SC(C)COC 62a_100000765312_100000766640 [0,2,0,0,0,0|1,1,0]=4 5875 B10R0.2 CCCC(C)SC(C)COC 62a_100000766640_100000765312 [0,2,0,0,0,0|1,1,0]=4 5876 B10R0.2 CCOC(C)O[C@H](C)COC 34a_200015424329_200000210301 [0,2,0,0,0,0|2,0,0]=4 5877 B10R0.2 CCOC(C)O[C@H](C)COC 7a_200015424329_200000210301 [0,2,0,0,0,0|2,0,0]=4 5878 B10R0.2 CCOC(C)O[C@H](C)CO[13CH3] 34a_200015424329_200025704644 [0,2,0,0,0,0|2,0,0]=4 5879 B10R0.2 CCOC(C)O[C@H](C)CO[13CH3] 7a_200015424329_200025704644 [0,2,0,0,0,0|2,0,0]=4 5880 B10R0.2 COCC(=O)N[C@H](C)COC 11a_100000764878_100000210968 [0,2,0,0,0,0|1,0,1]=4 5881 B10R0.2 COCC(=O)N[C@H](C)COC 1626a_100000764878_100000210968 [0,2,0,0,0,0|1,0,1]=4 5882 B10R0.2 COCC(=O)N[C@H](C)COC 240690a_100000764878_100000210968 [0,2,0,0,0,0|1,0,1]=4 5883 B10R0.2 COCC(=O)N[C@H](C)COC 527a_100000764878_100000210968 [0,2,0,0,0,0|1,0,1]=4 5884 B10R0.2 COCC(C)N[C@H](C)COC 2230a_100000764878_100000765312 [0,2,0,0,0,0|1,0,0]=3 5885 B10R0.2 COCC(C)N[C@H](C)COC 270004a_100000764878_100000749346 [0,2,0,0,0,0|1,0,0]=3 5886 B10R0.2 COCC(C)OC(C)CCBr 34a_100012276601_100000765312 [0,2,0,0,0,0|2,0,0]=4 5887 B10R0.2 COCC(C)O[C@H](C)COC 34a_100011934205_100000765312 [0,2,0,0,0,0|0,0,0]=2 5888 B10R0.2 COCC(C)SC(C)COC 62a_100000765312_100000765312 [0,2,0,0,0,0|0,1,0]=3 5889 B10R0.2 COCC(O)CN(C)COC 2230a_100000739405_100000766300 [0,2,0,0,0,0|2,0,0]=4 5890 B10R0.2 COCC(O)CN(C)COC 269982a_100000739405_100000766300 [0,2,0,0,0,0|2,0,0]=4 5891 B10R0.2 COC[C@@H](C)NC(C)CSC 270004a_100000764878_100011216314 [0,2,0,0,0,0|1,1,0]=4 5892 B10R0.2 COC[C@@H](C)OC(C)CCO 34a_100011934205_100009893172 [0,2,0,0,0,0|2,0,0]=4 5893 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000210906_100000233755 [0,2,0,0,0,0|2,0,0]=4 5894 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000749529_100000766640 [0,2,0,0,0,0|2,0,0]=4 5895 B10R0.19 CCCC(C)N(C)CCOC 2230a_100000743101_100000766640 [0,2,0,0,0,0|2,0,0]=4 5896 B10R0.19 CCCC(C)N(C)CCOC 269982a_100000743101_100000766640 [0,2,0,0,0,0|2,0,0]=4 5897 B10R0.19 CCCC(C)N(C)CCOC 270004a_100000743101_100000211909 [0,2,0,0,0,0|2,0,0]=4 5898 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,2,0,0,0,0|2,0,0]=4 5899 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,2,0,0,0,0|2,0,0]=4 5900 B10R0.19 CCCCN(C)C(C)COC 2230a_100000207549_100000765312 [0,2,0,0,0,0|2,0,0]=4 5901 B10R0.19 CCCCN(C)C(C)COC 269982a_100000207549_100000765312 [0,2,0,0,0,0|2,0,0]=4 5902 B10R0.19 CCCCN(C)C(C)COC 270004a_100000207549_100000749346 [0,2,0,0,0,0|2,0,0]=4 5903 B10R0.19 CCC[C@H](O)C(=O)CCOC 1458a_100009822183_100000233755 [0,2,0,0,0,0|2,0,0]=4 5904 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000174002_100000765312 [0,2,0,0,0,0|1,1,0]=4 5905 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000751857_100000751147 [0,2,0,0,0,0|1,1,0]=4 5906 B10R0.19 COCC(C)N(C)CCSC 2230a_100000686725_100000765312 [0,2,0,0,0,0|1,1,0]=4 5907 B10R0.19 COCC(C)N(C)CCSC 269982a_100000686725_100000765312 [0,2,0,0,0,0|1,1,0]=4 5908 B10R0.19 COCC(C)N(C)CCSC 270004a_100000686725_100000749346 [0,2,0,0,0,0|1,1,0]=4 5909 B10R0.19 COCCC(=O)C(C)COC 1458a_100000749529_100000765312 [0,2,0,0,0,0|1,0,0]=3 5910 B10R0.19 COCCC(=O)C(C)COC 1458a_100000751857_100000233755 [0,2,0,0,0,0|1,0,0]=3 5911 B10R0.19 COCCC(=O)C(C)CSC 1458a_100000753918_100000233755 [0,2,0,0,0,0|1,1,0]=4 5912 B10R0.19 COCCN(C)C(=O)COC 11a_100000743101_100000210968 [0,2,0,0,0,0|1,0,1]=4 5913 B10R0.19 COCCN(C)C(=O)COC 1626a_100000743101_100000210968 [0,2,0,0,0,0|1,0,1]=4 5914 B10R0.19 COCCN(C)C(=O)COC 240690a_100000743101_100000210968 [0,2,0,0,0,0|1,0,1]=4 5915 B10R0.19 COCCN(C)C(=O)COC 527a_100000743101_100000210968 [0,2,0,0,0,0|1,0,1]=4 5916 B10R0.19 COCCN(C)C(C)COC 2230a_100000743101_100000765312 [0,2,0,0,0,0|1,0,0]=3 5917 B10R0.19 COCCN(C)C(C)COC 269982a_100000743101_100000765312 [0,2,0,0,0,0|1,0,0]=3 5918 B10R0.19 COCCN(C)C(C)COC 270004a_100000743101_100000749346 [0,2,0,0,0,0|1,0,0]=3 5919 B10R0.19 COCCN(C)C(C)CSC 270004a_100000743101_100011216314 [0,2,0,0,0,0|1,1,0]=4 5920 B10R0.24 C#CC(CCC)OCCCC 34a_200011217317_100000210210 [0,2,0,0,0,0|2,0,0]=4 5921 B10R0.24 C#CC(CCC)OCCCC 7a_200011217317_100000210211 [0,2,0,0,0,0|2,0,0]=4 5922 B10R0.24 C#CC(CCC)OCCOC 34a_200011217317_100011201679 [0,2,0,0,0,0|1,0,0]=3 5923 B10R0.24 C#CC(CCC)OCCOC 7a_200011217317_100000233755 [0,2,0,0,0,0|1,0,0]=3 5924 B10R0.24 C#CC(CCC)OCCSC 34a_200011217317_100000212216 [0,2,0,0,0,0|1,1,0]=4 5925 B10R0.24 C#CC(CCC)OCCSC 7a_200011217317_100000212216 [0,2,0,0,0,0|1,1,0]=4 5926 B10R0.24 C#CCC(CC)OCCOC 34a_200011217983_100011201679 [0,2,0,0,0,0|1,0,1]=4 5927 B10R0.24 C#CCC(CC)OCCOC 7a_200011217983_100000233755 [0,2,0,0,0,0|1,0,1]=4 5928 B10R0.24 C#CCCOC(CC)COC 7a_200011214946_100000688953 [0,2,0,0,0,0|1,0,1]=4 5929 B10R0.24 C#CCCOC(CCl)COC 34a_100011215053_100000688953 [0,2,0,0,0,0|1,0,1]=4 5930 B10R0.24 C#CCCOC(CN)COC 34a_100000756049_100000688953 [0,2,0,0,0,0|1,0,1]=4 5931 B10R0.24 C/C=C/COC(CC)COC 7a_200011214946_100102629194 [0,2,0,0,0,0|1,0,1]=4 5932 B10R0.24 C/C=C/COC(CCl)COC 34a_100011215053_100102629194 [0,2,0,0,0,0|1,0,1]=4 5933 B10R0.24 C/C=C/COC(CN)COC 34a_100000756049_100102629194 [0,2,0,0,0,0|1,0,1]=4 5934 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [0,2,0,0,0,0|2,0,0]=4 5935 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [0,2,0,0,0,0|2,0,0]=4 5936 B10R0.24 C=CC(CCC)OCCOC 34a_100011216692_100011201679 [0,2,0,0,0,0|1,0,0]=3 5937 B10R0.24 C=CC(CCC)OCCOC 7a_100011216692_100000233755 [0,2,0,0,0,0|1,0,0]=3 5938 B10R0.24 C=CC(CCC)OCCSC 34a_100011216692_100000212216 [0,2,0,0,0,0|1,1,0]=4 5939 B10R0.24 C=CC(CCC)OCCSC 7a_100011216692_100000212216 [0,2,0,0,0,0|1,1,0]=4 5940 B10R0.24 C=CCC(C=C)OCCOC 34a_100000038011_100011201679 [0,2,0,0,0,0|1,0,1]=4 5941 B10R0.24 C=CCC(C=C)OCCOC 7a_100000038011_100000233755 [0,2,0,0,0,0|1,0,1]=4 5942 B10R0.24 C=CCCOC(CC)COC 7a_200011214946_100000754431 [0,2,0,0,0,0|1,0,1]=4 5943 B10R0.24 C=CCCOC(CCl)COC 34a_100011215053_100000754431 [0,2,0,0,0,0|1,0,1]=4 5944 B10R0.24 C=CCCOC(CN)COC 34a_100000756049_100000754431 [0,2,0,0,0,0|1,0,1]=4 5945 B10R0.24 CC#CC(CC)OCCOC 34a_200011219922_100011201679 [0,2,0,0,0,0|1,0,1]=4 5946 B10R0.24 CC#CC(CC)OCCOC 7a_200011219922_100000233755 [0,2,0,0,0,0|1,0,1]=4 5947 B10R0.24 CC#CCOC(CC)COC 7a_200011214946_100000748600 [0,2,0,0,0,0|1,0,1]=4 5948 B10R0.24 CC#CCOC(CCl)COC 34a_100011215053_100000748600 [0,2,0,0,0,0|1,0,1]=4 5949 B10R0.24 CC#CCOC(CN)COC 34a_100000756049_100000748600 [0,2,0,0,0,0|1,0,1]=4 5950 B10R0.24 CC=CCOC(CC)COC 7a_200011214946_100000070051 [0,2,0,0,0,0|1,0,1]=4 5951 B10R0.24 CC=CCOC(CCl)COC 34a_100011215053_100000070051 [0,2,0,0,0,0|1,0,1]=4 5952 B10R0.24 CC=CCOC(CN)COC 34a_100000756049_100000070051 [0,2,0,0,0,0|1,0,1]=4 5953 B10R0.24 CCC(COC)NCCOC 2230a_100000757820_100011201679 [0,2,0,0,0,0|1,0,0]=3 5954 B10R0.24 CCC(COC)NCCOC 270004a_100000209980_100000757811 [0,2,0,0,0,0|1,0,0]=3 5955 B10R0.24 CCC(COC)NCCSC 2230a_100000757820_100000751147 [0,2,0,0,0,0|1,1,0]=4 5956 B10R0.24 CCC(COC)NCCSC 270004a_100020590264_100000757811 [0,2,0,0,0,0|1,1,0]=4 5957 B10R0.24 CCC(COC)OCCC#N 7a_200011214946_100000184422 [0,2,0,0,0,0|2,0,0]=4 5958 B10R0.24 CCC(COC)OCCCF 7a_200011214946_100011934791 [0,2,0,0,0,0|2,0,0]=4 5959 B10R0.24 CCC(COC)OCCCO 7a_200011214946_100011215043 [0,2,0,0,0,0|2,0,0]=4 5960 B10R0.24 CCC(COC)OCCOC 7a_200011214946_100000233755 [0,2,0,0,0,0|0,0,0]=2 5961 B10R0.24 CCC(COC)OCCSC 7a_200011214946_100000212216 [0,2,0,0,0,0|0,1,0]=3 5962 B10R0.24 CCCC(C#N)OCCOC 34a_100000686963_100011201679 [0,2,0,0,0,0|1,0,0]=3 5963 B10R0.24 CCCC(C#N)OCCOC 7a_100000686963_100000233755 [0,2,0,0,0,0|1,0,0]=3 5964 B10R0.24 CCCC(C#N)OCCSC 34a_100000686963_100000212216 [0,2,0,0,0,0|1,1,0]=4 5965 B10R0.24 CCCC(C#N)OCCSC 7a_100000686963_100000212216 [0,2,0,0,0,0|1,1,0]=4 5966 B10R0.24 CCCC(CC)NCCOC 2230a_100000747048_100011201679 [0,2,0,0,0,0|2,0,0]=4 5967 B10R0.24 CCCC(CC)NCCOC 270004a_100000209980_100000687865 [0,2,0,0,0,0|2,0,0]=4 5968 B10R0.24 CCCC(CC)OCCOC 34a_100000687864_100011201679 [0,2,0,0,0,0|1,0,0]=3 5969 B10R0.24 CCCC(CC)OCCOC 7a_100000687864_100000233755 [0,2,0,0,0,0|1,0,0]=3 5970 B10R0.24 CCCC(CC)OCCSC 34a_100000687864_100000212216 [0,2,0,0,0,0|1,1,0]=4 5971 B10R0.24 CCCC(CC)OCCSC 7a_100000230434_100011219200 [0,2,0,0,0,0|1,1,0]=4 5972 B10R0.24 CCCC(CC)OCCSC 7a_100000687864_100000212216 [0,2,0,0,0,0|1,1,0]=4 5973 B10R0.24 CCCC(CC)SCCOC 62a_100000233755_100011219200 [0,2,0,0,0,0|1,1,0]=4 5974 B10R0.24 CCCC(CC)SCCOC 62a_100011219200_100000233755 [0,2,0,0,0,0|1,1,0]=4 5975 B10R0.24 CCCCNC(CC)COC 2230a_100000757820_100000210211 [0,2,0,0,0,0|2,0,0]=4 5976 B10R0.24 CCCCNC(CC)COC 270004a_100000102301_100000757811 [0,2,0,0,0,0|2,0,0]=4 5977 B10R0.24 CCCCNC(CO)COC 2230a_100000724102_100000210211 [0,2,0,0,0,0|2,0,0]=4 5978 B10R0.24 CCCCNC(CO)COC 34a_100000724102_100000210210 [0,2,0,0,0,0|2,0,0]=4 5979 B10R0.24 CCCCOC(C#N)CCC 34a_100000686963_100000210210 [0,2,0,0,0,0|2,0,0]=4 5980 B10R0.24 CCCCOC(C#N)CCC 7a_100000686963_100000210211 [0,2,0,0,0,0|2,0,0]=4 5981 B10R0.24 CCCCOC(CC)CCC 34a_100000687864_100000210210 [0,2,0,0,0,0|2,0,0]=4 5982 B10R0.24 CCCCOC(CC)CCC 7a_100000210227_100011219200 [0,2,0,0,0,0|2,0,0]=4 5983 B10R0.24 CCCCOC(CC)CCC 7a_100000687864_100000210211 [0,2,0,0,0,0|2,0,0]=4 5984 B10R0.24 CCCCOC(CC)COC 7a_200011214946_100000210211 [0,2,0,0,0,0|1,0,0]=3 5985 B10R0.24 CCCCOC(CCl)COC 34a_100011215053_100000210210 [0,2,0,0,0,0|1,0,0]=3 5986 B10R0.24 CCCCOC(CN)COC 34a_100000756049_100000210210 [0,2,0,0,0,0|1,0,0]=3 5987 B10R0.24 CCC[C@@H](CO)NCCOC 2230a_100000732646_100011201679 [0,2,0,0,0,0|2,0,0]=4 5988 B10R0.24 CCC[C@@H](CO)NCCOC 34a_100000732646_100011201679 [0,2,0,0,0,0|2,0,0]=4 5989 B10R0.24 COCC(CCl)OCCCF 34a_100011215053_100011934791 [0,2,0,0,0,0|2,0,0]=4 5990 B10R0.24 COCC(CCl)OCCCO 34a_100011215053_100000230001 [0,2,0,0,0,0|2,0,0]=4 5991 B10R0.24 COCC(CCl)OCCSC 34a_100011215053_100000212216 [0,2,0,0,0,0|0,1,0]=3 5992 B10R0.24 COCC(CN)OCCCF 34a_100000756049_100011934791 [0,2,0,0,0,0|2,0,0]=4 5993 B10R0.24 COCC(CN)OCCCO 34a_100000756049_100000230001 [0,2,0,0,0,0|2,0,0]=4 5994 B10R0.24 COCC(CN)OCCSC 34a_100000756049_100000212216 [0,2,0,0,0,0|0,1,0]=3 5995 B10R0.24 COCC(CO)NCCSC 2230a_100000724102_100000751147 [0,2,0,0,0,0|1,1,0]=4 5996 B10R0.24 COCC(CO)NCCSC 34a_100000724102_100000212216 [0,2,0,0,0,0|1,1,0]=4 5997 B10R0.24 COCCNC(CO)COC 2230a_100000724102_100011201679 [0,2,0,0,0,0|1,0,0]=3 5998 B10R0.24 COCCNC(CO)COC 34a_100000724102_100011201679 [0,2,0,0,0,0|1,0,0]=3 5999 B10R0.24 COCCOC(CCl)COC 34a_100011215053_100011201679 [0,2,0,0,0,0|0,0,0]=2 6000 B10R0.24 COCCOC(CN)COC 34a_100000756049_100011201679 [0,2,0,0,0,0|0,0,0]=2 6001 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCOC 34a_100015455354_100011201679 [0,2,0,0,0,0|1,0,1]=4 6002 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCOC 7a_100015455354_100000233755 [0,2,0,0,0,0|1,0,1]=4 6003 B10R0.83 CCC(C)C(C)NCCOC 269862a_100000209980_100000210599 [0,2,0,0,0,0|2,0,0]=4 6004 B10R0.83 CCC(C)C(C)NCCOC 270004a_100000209980_100000210599 [0,2,0,0,0,0|2,0,0]=4 6005 B10R0.83 CCC(C)C(C)OCCOC 7a_100011215189_100000233755 [0,2,0,0,0,0|1,0,0]=3 6006 B10R0.83 CCC(C)C(C)OCCSC 7a_100011215189_100000212216 [0,2,0,0,0,0|1,1,0]=4 6007 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|1,0,1]=4 6008 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|1,0,1]=4 6009 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|1,0,1]=4 6010 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|1,0,1]=4 6011 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|1,0,1]=4 6012 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|1,0,1]=4 6013 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|1,0,1]=4 6014 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|1,0,1]=4 6015 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,2,0,0,0,0|2,0,0]=4 6016 B10R0.83 CNC(=O)C(C)OCCOC 34a_100000210237_100000731044 [0,2,0,0,0,0|1,0,1]=4 6017 B10R0.83 CNC(=O)C(F)OCCOC 34a_100000210237_100009813575 [0,2,0,0,0,0|1,0,1]=4 6018 B10R0.83 COC(=O)C(C)OCCON 34a_100000700252_100000211248 [0,2,0,0,0,0|1,0,1]=4 6019 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|0,1,1]=4 6020 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|0,1,1]=4 6021 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|0,1,1]=4 6022 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|1,0,1]=4 6023 B10R0.83 COCCCN(C)C(C)OC 269982a_100000224831_100009879195 [0,2,0,0,0,0|2,0,0]=4 6024 B10R0.83 COCCNC(=O)C(C)OC 1626a_100000209980_100000743197 [0,2,0,0,0,0|1,0,1]=4 6025 B10R0.83 COCCNC(=O)C(C)OC 240690a_100000209980_100000743197 [0,2,0,0,0,0|1,0,1]=4 6026 B10R0.83 COCCNC(=O)C(C)OC 527a_100000209980_100000743197 [0,2,0,0,0,0|1,0,1]=4 6027 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,2,0,0,0,0|1,0,1]=4 6028 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,2,0,0,0,0|0,0,1]=3 6029 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,2,0,0,0,0|0,0,1]=3 6030 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,2,0,0,0,0|0,1,1]=4 6031 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,2,0,0,0,0|0,1,1]=4 6032 B10R0.91 C#CCCOC(C)COCC 34a_100000718985_100000688953 [0,2,0,0,0,0|1,0,1]=4 6033 B10R0.91 C#CCCOC(C)COCC 7a_100000718985_100000688953 [0,2,0,0,0,0|1,0,1]=4 6034 B10R0.91 C/C=C/COC(C)COCC 34a_100000718985_100102629194 [0,2,0,0,0,0|1,0,1]=4 6035 B10R0.91 C/C=C/COC(C)COCC 7a_100000718985_100102629194 [0,2,0,0,0,0|1,0,1]=4 6036 B10R0.91 C=C(CSCOC)OCOC 62a_100000042856_100000766300 [0,2,0,0,0,0|2,0,0]=4 6037 B10R0.91 C=C(CSCOC)OCOC 62a_100000766300_100000042856 [0,2,0,0,0,0|2,0,0]=4 6038 B10R0.91 C=CCCC(C)OCCOC 34a_100000765329_100011201679 [0,2,0,0,0,0|1,0,1]=4 6039 B10R0.91 C=CCCC(C)OCCOC 7a_100000765329_100000233755 [0,2,0,0,0,0|1,0,1]=4 6040 B10R0.91 C=CCCOC(C)COCC 34a_100000718985_100000754431 [0,2,0,0,0,0|1,0,1]=4 6041 B10R0.91 C=CCCOC(C)COCC 7a_100000718985_100000754431 [0,2,0,0,0,0|1,0,1]=4 6042 B10R0.91 C=COCCC(=O)CCOC 1458a_100000749529_100000039644 [0,2,0,0,0,0|1,0,1]=4 6043 B10R0.91 C=COCCN(C)CCOC 2230a_100000743101_100000039644 [0,2,0,0,0,0|1,0,1]=4 6044 B10R0.91 C=COCCN(C)CCOC 269982a_100000743101_100000039644 [0,2,0,0,0,0|1,0,1]=4 6045 B10R0.91 CC#CCOC(C)COCC 34a_100000718985_100000748600 [0,2,0,0,0,0|1,0,1]=4 6046 B10R0.91 CC#CCOC(C)COCC 7a_100000718985_100000748600 [0,2,0,0,0,0|1,0,1]=4 6047 B10R0.91 CC=CCOC(C)COCC 34a_100000718985_100000070051 [0,2,0,0,0,0|1,0,1]=4 6048 B10R0.91 CC=CCOC(C)COCC 7a_100000718985_100000070051 [0,2,0,0,0,0|1,0,1]=4 6049 B10R0.91 CCC#CC(C)OCCOC 34a_100000033903_100011201679 [0,2,0,0,0,0|1,0,1]=4 6050 B10R0.91 CCC#CC(C)OCCOC 7a_100000033903_100000233755 [0,2,0,0,0,0|1,0,1]=4 6051 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,2,0,0,0,0|2,0,0]=4 6052 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,2,0,0,0,0|2,0,0]=4 6053 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,2,0,0,0,0|2,0,0]=4 6054 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,2,0,0,0,0|2,0,0]=4 6055 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [0,2,0,0,0,0|2,0,0]=4 6056 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [0,2,0,0,0,0|2,0,0]=4 6057 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [0,2,0,0,0,0|2,0,0]=4 6058 B10R0.91 CCCCC(C)NCCOC 2230a_100000126638_100011201679 [0,2,0,0,0,0|2,0,0]=4 6059 B10R0.91 CCCCC(C)NCCOC 2230a_100000209980_200011215066 [0,2,0,0,0,0|2,0,0]=4 6060 B10R0.91 CCCCC(C)NCCOC 270004a_100000209980_100000210087 [0,2,0,0,0,0|2,0,0]=4 6061 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [0,2,0,0,0,0|1,0,0]=3 6062 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [0,2,0,0,0,0|1,0,0]=3 6063 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [0,2,0,0,0,0|1,0,0]=3 6064 B10R0.91 CCCCC(C)OCCON 34a_100000700252_200011215066 [0,2,0,0,0,0|2,0,0]=4 6065 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [0,2,0,0,0,0|1,1,0]=4 6066 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [0,2,0,0,0,0|1,1,0]=4 6067 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [0,2,0,0,0,0|1,1,0]=4 6068 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [0,2,0,0,0,0|1,1,0]=4 6069 B10R0.91 CCCCC(C)SCCOC 62a_100000233755_200011215066 [0,2,0,0,0,0|1,1,0]=4 6070 B10R0.91 CCCCC(C)SCCOC 62a_200011215066_100000233755 [0,2,0,0,0,0|1,1,0]=4 6071 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|2,0,0]=4 6072 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|2,0,0]=4 6073 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,2,0,0,0,0|2,0,0]=4 6074 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,2,0,0,0,0|2,0,0]=4 6075 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,2,0,0,0,0|2,0,0]=4 6076 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,2,0,0,0,0|2,0,0]=4 6077 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,2,0,0,0,0|2,0,0]=4 6078 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,2,0,0,0,0|2,0,0]=4 6079 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,2,0,0,0,0|2,0,0]=4 6080 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [0,2,0,0,0,0|2,0,0]=4 6081 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [0,2,0,0,0,0|2,0,0]=4 6082 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [0,2,0,0,0,0|2,0,0]=4 6083 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [0,2,0,0,0,0|2,0,0]=4 6084 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [0,2,0,0,0,0|2,0,0]=4 6085 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [0,2,0,0,0,0|2,0,0]=4 6086 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,2,0,0,0,0|2,0,0]=4 6087 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,2,0,0,0,0|2,0,0]=4 6088 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,2,0,0,0,0|2,0,0]=4 6089 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,2,0,0,0,0|2,0,0]=4 6090 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [0,2,0,0,0,0|2,0,0]=4 6091 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,2,0,0,0,0|1,0,1]=4 6092 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,2,0,0,0,0|2,0,0]=4 6093 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,2,0,0,0,0|2,0,0]=4 6094 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,2,0,0,0,0|2,0,0]=4 6095 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,2,0,0,0,0|2,0,0]=4 6096 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [0,2,0,0,0,0|2,0,0]=4 6097 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [0,2,0,0,0,0|2,0,0]=4 6098 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [0,2,0,0,0,0|1,0,0]=3 6099 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [0,2,0,0,0,0|1,0,0]=3 6100 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [0,2,0,0,0,0|2,0,0]=4 6101 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [0,2,0,0,0,0|2,0,0]=4 6102 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|2,0,0]=4 6103 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,2,0,0,0,0|2,0,0]=4 6104 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [0,2,0,0,0,0|1,0,1]=4 6105 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,2,0,0,0,0|1,0,1]=4 6106 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,2,0,0,0,0|1,0,1]=4 6107 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,2,0,0,0,0|1,0,1]=4 6108 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,2,0,0,0,0|1,0,1]=4 6109 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,2,0,0,0,0|1,0,1]=4 6110 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,2,0,0,0,0|0,0,1]=3 6111 B10R0.91 CCOCC(C)OCCC#N 7a_100000718985_100000184422 [0,2,0,0,0,0|2,0,0]=4 6112 B10R0.91 CCOCC(C)OCCCF 34a_100000718985_100011934791 [0,2,0,0,0,0|2,0,0]=4 6113 B10R0.91 CCOCC(C)OCCCF 7a_100000718985_100011934791 [0,2,0,0,0,0|2,0,0]=4 6114 B10R0.91 CCOCC(C)OCCCO 34a_100000718985_100000230001 [0,2,0,0,0,0|2,0,0]=4 6115 B10R0.91 CCOCC(C)OCCCO 7a_100000718985_100011215043 [0,2,0,0,0,0|2,0,0]=4 6116 B10R0.91 CCOCC(C)OCCOC 34a_100000718985_100011201679 [0,2,0,0,0,0|0,0,0]=2 6117 B10R0.91 CCOCC(C)OCCOC 7a_100000718985_100000233755 [0,2,0,0,0,0|0,0,0]=2 6118 B10R0.91 CCOCC(C)OCCSC 34a_100000718985_100000212216 [0,2,0,0,0,0|0,1,0]=3 6119 B10R0.91 CCOCC(C)OCCSC 7a_100000718985_100000212216 [0,2,0,0,0,0|0,1,0]=3 6120 B10R0.91 CCOCC(O)CNCOC 2230a_102515437182_100000766300 [0,2,0,0,0,0|2,0,0]=4 6121 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,2,0,0,0,0|1,0,0]=3 6122 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,2,0,0,0,0|1,0,0]=3 6123 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,2,0,0,0,0|1,1,0]=4 6124 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,2,0,0,0,0|1,1,0]=4 6125 B10R0.91 CCOCCN(C)CCOC 2230a_100000743101_100011215890 [0,2,0,0,0,0|1,0,0]=3 6126 B10R0.91 CCOCCN(C)CCOC 269982a_100000743101_100011215890 [0,2,0,0,0,0|1,0,0]=3 6127 B10R0.91 CCOCCN(C)CCSC 2230a_100000686725_100011215890 [0,2,0,0,0,0|1,1,0]=4 6128 B10R0.91 CCOCCN(C)CCSC 269982a_100000686725_100011215890 [0,2,0,0,0,0|1,1,0]=4 6129 B10R0.91 CCOCN(C)CCCOC 269982a_100000224831_100000739092 [0,2,0,0,0,0|2,0,0]=4 6130 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [0,2,0,0,0,0|0,1,1]=4 6131 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [0,2,0,0,0,0|0,1,1]=4 6132 B10R0.91 CCSCC(C)NCCOC 270004a_100000209980_200011216171 [0,2,0,0,0,0|1,1,0]=4 6133 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,2,0,0,0,0|1,1,0]=4 6134 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,2,0,0,0,0|1,1,0]=4 6135 B10R0.91 CCSCCN(C)CCOC 2230a_100000743101_100000757381 [0,2,0,0,0,0|1,1,0]=4 6136 B10R0.91 CCSCCN(C)CCOC 269982a_100000743101_100000757381 [0,2,0,0,0,0|1,1,0]=4 6137 B10R0.91 COCC=CC(=O)CCOC 1458a_100016285016_100000233755 [0,2,0,0,0,0|1,0,1]=4 6138 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,2,0,0,0,0|2,0,0]=4 6139 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,2,0,0,0,0|2,0,0]=4 6140 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,2,0,0,0,0|2,0,0]=4 6141 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,2,0,0,0,0|1,1,0]=4 6142 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [0,2,0,0,0,0|1,1,0]=4 6143 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [0,2,0,0,0,0|1,1,0]=4 6144 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [0,2,0,0,0,0|1,1,0]=4 6145 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [0,2,0,0,0,0|1,1,0]=4 6146 B10R0.91 COCCC(C)NCCSC 270004a_100020590264_100000742357 [0,2,0,0,0,0|1,1,0]=4 6147 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,2,0,0,0,0|1,0,0]=3 6148 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,2,0,0,0,0|1,0,0]=3 6149 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,2,0,0,0,0|1,1,0]=4 6150 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,2,0,0,0,0|1,1,0]=4 6151 B10R0.91 COCCCC(C)OCSC 34a_200011539412_100011218213 [0,2,0,0,0,0|1,1,0]=4 6152 B10R0.91 COCCCN(C)CCOC 2230a_100000224831_100011201679 [0,2,0,0,0,0|1,0,0]=3 6153 B10R0.91 COCCCN(C)CCOC 2230a_100000743101_100000740836 [0,2,0,0,0,0|1,0,0]=3 6154 B10R0.91 COCCCN(C)CCOC 269982a_100000224831_100000233755 [0,2,0,0,0,0|1,0,0]=3 6155 B10R0.91 COCCCN(C)CCOC 269982a_100000743101_100000740836 [0,2,0,0,0,0|1,0,0]=3 6156 B10R0.91 COCCCN(C)CCSC 2230a_100000224831_100000751147 [0,2,0,0,0,0|1,1,0]=4 6157 B10R0.91 COCCCN(C)CCSC 2230a_100000686725_100000740836 [0,2,0,0,0,0|1,1,0]=4 6158 B10R0.91 COCCCN(C)CCSC 269982a_100000224831_100000212216 [0,2,0,0,0,0|1,1,0]=4 6159 B10R0.91 COCCCN(C)CCSC 269982a_100000686725_100000740836 [0,2,0,0,0,0|1,1,0]=4 6160 B10R0.91 COCCN(C)CCCCF 2230a_100000743101_100000729493 [0,2,0,0,0,0|2,0,0]=4 6161 B10R0.91 COCCN(C)CCCCF 269982a_100000743101_100000729493 [0,2,0,0,0,0|2,0,0]=4 6162 B10R0.91 COCCN(C)CCCCO 2230a_100000717598_100011201679 [0,2,0,0,0,0|2,0,0]=4 6163 B10R0.91 COCCN(C)CCCCO 2230a_100000743101_100000210776 [0,2,0,0,0,0|2,0,0]=4 6164 B10R0.91 COCCN(C)CCCCO 269982a_100000717598_100000233755 [0,2,0,0,0,0|2,0,0]=4 6165 B10R0.91 COCCN(C)CCCCO 269982a_100000743101_100000210776 [0,2,0,0,0,0|2,0,0]=4 6166 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [0,2,0,0,0,0|1,0,0]=3 6167 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [0,2,0,0,0,0|1,0,0]=3 6168 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [0,2,0,0,0,0|1,0,0]=3 6169 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [0,2,0,0,0,0|1,1,0]=4 6170 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [0,2,0,0,0,0|1,1,0]=4 6171 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [0,2,0,0,0,0|1,1,0]=4 6172 B10R0.91 COCCNC(C)CCOC 270004a_100000209980_100000742357 [0,2,0,0,0,0|1,0,0]=3 6173 B10R0.91 COCCNC(C)CCSC 270004a_100000209980_100011217047 [0,2,0,0,0,0|1,1,0]=4 6174 B10R0.91 COCCOC(=O)CSCF 62a_100015361967_200000040189 [0,2,0,0,0,0|0,1,1]=4 6175 B10R0.91 COCCOC(=O)CSCF 62a_200000040189_100015361967 [0,2,0,0,0,0|0,1,1]=4 6176 B10R0.91 COCCOC(C)CCCCl 34a_200000718107_100011201679 [0,2,0,0,0,0|1,0,0]=3 6177 B10R0.91 COCCOC(C)CCCCl 7a_200000718107_100000233755 [0,2,0,0,0,0|1,0,0]=3 6178 B10R0.91 CSCCOC(C)CCCCl 34a_200000718107_100000212216 [0,2,0,0,0,0|1,1,0]=4 6179 B10R0.91 CSCCOC(C)CCCCl 7a_200000718107_100000212216 [0,2,0,0,0,0|1,1,0]=4 6180 B10R0.108 C=CC(C)COC(C)COC 34a_100011215527_100000765312 [0,2,0,0,0,0|1,0,1]=4 6181 B10R0.108 C=CC(C)COC(C)COC 7a_100011215527_100000765312 [0,2,0,0,0,0|1,0,1]=4 6182 B10R0.108 C=CC(O)CO[C@H](C)COC 34a_100011934205_100000730141 [0,2,0,0,0,0|1,0,1]=4 6183 B10R0.108 C=C[C@H](N)COC(C)COC 34a_100016989147_100000765312 [0,2,0,0,0,0|1,0,1]=4 6184 B10R0.108 CCC(=O)COC(C)COC 34a_100000725409_100000765312 [0,2,0,0,0,0|1,0,1]=4 6185 B10R0.108 CCC(C)CNC(C)COC 2230a_100020588543_100000765312 [0,2,0,0,0,0|2,0,0]=4 6186 B10R0.108 CCC(C)CNC(C)COC 270004a_100020588543_100000749346 [0,2,0,0,0,0|2,0,0]=4 6187 B10R0.108 CCC(C)CN[C@H](C)COC 2230a_100000764878_100000748023 [0,2,0,0,0,0|2,0,0]=4 6188 B10R0.108 CCC(C)CN[C@H](C)COC 270004a_100000764878_100000243153 [0,2,0,0,0,0|2,0,0]=4 6189 B10R0.108 CCC(C)CO[C@H](C)COC 34a_100011934205_100000748023 [0,2,0,0,0,0|1,0,0]=3 6190 B10R0.108 CCC(C)CSC(C)COC 62a_100000748023_100000765312 [0,2,0,0,0,0|1,1,0]=4 6191 B10R0.108 CCC(C)CSC(C)COC 62a_100000765312_100000748023 [0,2,0,0,0,0|1,1,0]=4 6192 B10R0.108 CCC(O)CNC(C)COC 2230a_100011218483_100000765312 [0,2,0,0,0,0|2,0,0]=4 6193 B10R0.108 CCC(O)CNC(C)COC 270004a_100011218483_100000749346 [0,2,0,0,0,0|2,0,0]=4 6194 B10R0.108 CCC(O)CN[C@H](C)COC 2230a_100000764878_100011218378 [0,2,0,0,0,0|2,0,0]=4 6195 B10R0.108 CCC(O)CO[C@H](C)COC 34a_100011934205_100011218378 [0,2,0,0,0,0|1,0,0]=3 6196 B10R0.108 CCC(O)CSC(C)COC 62a_100000765312_100011218378 [0,2,0,0,0,0|1,1,0]=4 6197 B10R0.108 CCC(O)CSC(C)COC 62a_100011218378_100000765312 [0,2,0,0,0,0|1,1,0]=4 6198 B10R0.108 CCCC(C)NC[C@@H](C)OC 2230a_100020591295_100000766640 [0,2,0,0,0,0|2,0,0]=4 6199 B10R0.108 CCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000211909 [0,2,0,0,0,0|2,0,0]=4 6200 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|1,0,1]=4 6201 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|1,0,1]=4 6202 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [0,2,0,0,0,0|2,0,0]=4 6203 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [0,2,0,0,0,0|2,0,0]=4 6204 B10R0.108 CCCC(C)OCC(C)OC 34a_100000690652_100000766640 [0,2,0,0,0,0|1,0,0]=3 6205 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [0,2,0,0,0,0|2,0,0]=4 6206 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [0,2,0,0,0,0|2,0,0]=4 6207 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [0,2,0,0,0,0|2,0,0]=4 6208 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [0,2,0,0,0,0|2,0,0]=4 6209 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [0,2,0,0,0,0|2,0,0]=4 6210 B10R0.108 CC[C@H](C)CN[C@H](C)COC 2230a_100000764878_100009816398 [0,2,0,0,0,0|2,0,0]=4 6211 B10R0.108 CC[C@H](C)COC(C)COC 7a_100009816381_100000765312 [0,2,0,0,0,0|1,0,0]=3 6212 B10R0.108 CC[C@H](C)CO[C@H](C)COC 34a_100011934205_100009816398 [0,2,0,0,0,0|1,0,0]=3 6213 B10R0.108 CC[C@H](C)CSC(C)COC 62a_100000765312_100009816398 [0,2,0,0,0,0|1,1,0]=4 6214 B10R0.108 CC[C@H](C)CSC(C)COC 62a_100009816398_100000765312 [0,2,0,0,0,0|1,1,0]=4 6215 B10R0.108 CNC(=O)COC(C)COC 34a_100000750040_100000765312 [0,2,0,0,0,0|1,0,1]=4 6216 B10R0.108 CNC(=O)CO[C@H](C)COC 34a_100011934205_100000183359 [0,2,0,0,0,0|1,0,1]=4 6217 B10R0.108 COC(C)COC(C)CCO 34a_100000690652_100009893172 [0,2,0,0,0,0|2,0,0]=4 6218 B10R0.108 COCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210968 [0,2,0,0,0,0|1,0,1]=4 6219 B10R0.108 COCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210968 [0,2,0,0,0,0|1,0,1]=4 6220 B10R0.108 COCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210968 [0,2,0,0,0,0|1,0,1]=4 6221 B10R0.108 COCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210968 [0,2,0,0,0,0|1,0,1]=4 6222 B10R0.108 COCC(C)NC[C@@H](C)OC 2230a_100020591295_100000765312 [0,2,0,0,0,0|1,0,0]=3 6223 B10R0.108 COCC(C)NC[C@@H](C)OC 270004a_100020591295_100000749346 [0,2,0,0,0,0|1,0,0]=3 6224 B10R0.108 COCC(C)OCC(C)CN 34a_100000744482_100000765312 [0,2,0,0,0,0|2,0,0]=4 6225 B10R0.108 COCC(C)OCC(C)OC 34a_100000690652_100000765312 [0,2,0,0,0,0|0,0,0]=2 6226 B10R0.108 COCC(C)OCC(C)OC 34a_200011930013_200000210301 [0,2,0,0,0,0|0,0,0]=2 6227 B10R0.108 COCC(C)OCC(C)OC 7a_200011930013_200000210301 [0,2,0,0,0,0|0,0,0]=2 6228 B10R0.108 COCC(C)OCC(C)O[13CH3] 34a_200011930013_200025704644 [0,2,0,0,0,0|0,0,0]=2 6229 B10R0.108 COCC(C)OCC(C)O[13CH3] 7a_200011930013_200025704644 [0,2,0,0,0,0|0,0,0]=2 6230 B10R0.108 COCC(C)OCC(Cl)CCl 34a_100000033668_100000765312 [0,2,0,0,0,0|2,0,0]=4 6231 B10R0.108 COCC(C)OC[C@H](F)CN 34a_100015665980_100000765312 [0,2,0,0,0,0|2,0,0]=4 6232 B10R0.108 COCC(C)SCC(=O)OC 62a_100000747449_100000765312 [0,2,0,0,0,0|0,1,1]=4 6233 B10R0.108 COCC(C)SCC(=O)OC 62a_100000765312_100000747449 [0,2,0,0,0,0|0,1,1]=4 6234 B10R0.108 COCC(O)CSC(C)OC 62a_100009879195_100011215053 [0,2,0,0,0,0|2,0,0]=4 6235 B10R0.108 COCC(O)CSC(C)OC 62a_100011215053_100009879195 [0,2,0,0,0,0|2,0,0]=4 6236 B10R0.108 COC[C@@H](C)NCC(=O)OC 2230a_100000764878_100000747449 [0,2,0,0,0,0|1,0,1]=4 6237 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [0,2,0,0,0,0|0,0,1]=3 6238 B10R0.108 COC[C@@H](C)OCC(O)CO 34a_100011934205_100011219619 [0,2,0,0,0,0|2,0,0]=4 6239 B10R0.108 COC[C@@H](C)OC[C@@H](C)CO 34a_100011934205_100000059175 [0,2,0,0,0,0|2,0,0]=4 6240 B10R0.108 COC[C@@H](C)OC[C@@H](O)CF 34a_100011934205_100015614560 [0,2,0,0,0,0|2,0,0]=4 6241 B10R0.108 COC[C@@H](C)OC[C@@H](O)CO 34a_100011934205_100009815848 [0,2,0,0,0,0|2,0,0]=4 6242 B10R0.108 CO[C@H](C)CNC(C)CSC 270004a_100020591295_100011216314 [0,2,0,0,0,0|1,1,0]=4 6243 B10R0.156 C=CCC(C)(C)OCCOC 7a_100011995686_100000233755 [0,2,0,0,0,0|1,0,1]=4 6244 B10R0.156 CCCC(C)(C)OCCOC 7a_100000748436_100000233755 [0,2,0,0,0,0|1,0,0]=3 6245 B10R0.156 CCCC(C)(C)OCCSC 7a_100000748436_100000212216 [0,2,0,0,0,0|1,1,0]=4 6246 B10R0.156 CCCCNC(C)(C)COC 2230a_100000752728_100000210211 [0,2,0,0,0,0|2,0,0]=4 6247 B10R0.156 CCCCOC(C)(C)CCC 7a_100000748436_100000210211 [0,2,0,0,0,0|2,0,0]=4 6248 B10R0.156 COCC(C)(C)NCCSC 2230a_100000752728_100000751147 [0,2,0,0,0,0|1,1,0]=4 6249 B10R0.156 COCCNC(C)(C)COC 2230a_100000752728_100011201679 [0,2,0,0,0,0|1,0,0]=3 6250 B10R0.156 COCCNC(C)(C)CSC 2230a_100000759623_100011201679 [0,2,0,0,0,0|1,1,0]=4 6251 B10R0.156 COCCNC(C)(C)CSC 7a_100000759623_100000233755 [0,2,0,0,0,0|1,1,0]=4 6252 B10R0.156 COCCOC(C)(C)CCBr 7a_100000702414_100000233755 [0,2,0,0,0,0|2,0,0]=4 6253 B10R0.156 COCNCC(C)(C)COC 2230a_100000734190_100000766300 [0,2,0,0,0,0|2,0,0]=4 6254 B10R0.16 CCCCN(CC)CCOC 2230a_100000207391_100000210202 [0,2,0,0,0,0|2,0,0]=4 6255 B10R0.16 CCCCN(CC)CCOC 2230a_100000207695_100011201679 [0,2,0,0,0,0|2,0,0]=4 6256 B10R0.16 CCCCN(CC)CCOC 2230a_100000731262_100000210211 [0,2,0,0,0,0|2,0,0]=4 6257 B10R0.16 CCCCN(CC)CCOC 269982a_100000207391_100000204670 [0,2,0,0,0,0|2,0,0]=4 6258 B10R0.16 CCCCN(CC)CCOC 269982a_100000207695_100000233755 [0,2,0,0,0,0|2,0,0]=4 6259 B10R0.16 CCCCN(CC)CCOC 269982a_100000731262_100000210211 [0,2,0,0,0,0|2,0,0]=4 6260 B10R0.16 CCCCN(CF)CCOC 269982a_100000207391_100015361967 [0,2,0,0,0,0|2,0,0]=4 6261 B10R0.16 CCN(CCOC)CCOC 2230a_100000210589_100000210202 [0,2,0,0,0,0|1,0,0]=3 6262 B10R0.16 CCN(CCOC)CCOC 2230a_100000731262_100011201679 [0,2,0,0,0,0|1,0,0]=3 6263 B10R0.16 CCN(CCOC)CCOC 269982a_100000210589_100000204670 [0,2,0,0,0,0|1,0,0]=3 6264 B10R0.16 CCN(CCOC)CCOC 269982a_100000731262_100000233755 [0,2,0,0,0,0|1,0,0]=3 6265 B10R0.16 CCN(CCOC)CCSC 2230a_100000731262_100000751147 [0,2,0,0,0,0|1,1,0]=4 6266 B10R0.16 CCN(CCOC)CCSC 269982a_100000731262_100000212216 [0,2,0,0,0,0|1,1,0]=4 6267 B10R0.16 COCCN(CF)CCOC 269982a_100000210589_100015361967 [0,2,0,0,0,0|1,0,0]=3 6268 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [0,2,0,0,0,0|2,0,0]=4 6269 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [0,2,0,0,0,0|2,0,0]=4 6270 B10R0.18 CCC(C)CN(C)CCOC 2230a_100000743101_100000748023 [0,2,0,0,0,0|2,0,0]=4 6271 B10R0.18 CCC(C)CN(C)CCOC 2230a_100000753921_100011201679 [0,2,0,0,0,0|2,0,0]=4 6272 B10R0.18 CCC(C)CN(C)CCOC 269982a_100000743101_100000748023 [0,2,0,0,0,0|2,0,0]=4 6273 B10R0.18 CCC(C)CN(C)CCOC 269982a_100000753921_100000233755 [0,2,0,0,0,0|2,0,0]=4 6274 B10R0.18 CCC(C)CN(C)CCOC 270004a_100000743101_100000243153 [0,2,0,0,0,0|2,0,0]=4 6275 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,2,0,0,0,0|2,0,0]=4 6276 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,2,0,0,0,0|2,0,0]=4 6277 B10R0.18 CCC(O)CN(C)CCOC 2230a_100000743101_100011218378 [0,2,0,0,0,0|2,0,0]=4 6278 B10R0.18 CCC(O)CN(C)CCOC 269982a_100000743101_100011218378 [0,2,0,0,0,0|2,0,0]=4 6279 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [0,2,0,0,0,0|2,0,0]=4 6280 B10R0.18 CC[C@H](C)CN(C)CCOC 2230a_100000743101_100009816398 [0,2,0,0,0,0|2,0,0]=4 6281 B10R0.18 CC[C@H](C)CN(C)CCOC 269982a_100000743101_100009816398 [0,2,0,0,0,0|2,0,0]=4 6282 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|1,0,1]=4 6283 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|1,0,1]=4 6284 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [0,2,0,0,0,0|1,0,1]=4 6285 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [0,2,0,0,0,0|1,0,1]=4 6286 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [0,2,0,0,0,0|1,0,1]=4 6287 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [0,2,0,0,0,0|2,0,0]=4 6288 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [0,2,0,0,0,0|2,0,0]=4 6289 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [0,2,0,0,0,0|2,0,0]=4 6290 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [0,2,0,0,0,0|2,0,0]=4 6291 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [0,2,0,0,0,0|2,0,0]=4 6292 B10R0.71 C#CCCCCNCCOC 2230a_100000209980_100010269958 [0,2,0,0,0,0|2,0,0]=4 6293 B10R0.71 C#CCCCCNCCOC 2230a_100000706060_100011201679 [0,2,0,0,0,0|2,0,0]=4 6294 B10R0.71 C#CCCCCNCCOC 34a_100000706060_100011201679 [0,2,0,0,0,0|2,0,0]=4 6295 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [0,2,0,0,0,0|2,0,0]=4 6296 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [0,2,0,0,0,0|2,0,0]=4 6297 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [0,2,0,0,0,0|2,0,0]=4 6298 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [0,2,0,0,0,0|2,0,0]=4 6299 B10R0.71 C#CCCCCOCCOC 34a_100000210237_100010269958 [0,2,0,0,0,0|1,0,0]=3 6300 B10R0.71 C#CCCCCOCCOC 34a_100000766709_100011201679 [0,2,0,0,0,0|1,0,0]=3 6301 B10R0.71 C#CCCCCOCCOC 7a_100000766709_100000233755 [0,2,0,0,0,0|1,0,0]=3 6302 B10R0.71 C#CCCCCOCCON 34a_100000700252_100010269958 [0,2,0,0,0,0|2,0,0]=4 6303 B10R0.71 C#CCCCCOCCSC 34a_100000230434_100010269958 [0,2,0,0,0,0|1,1,0]=4 6304 B10R0.71 C#CCCCCOCCSC 34a_100000766709_100000212216 [0,2,0,0,0,0|1,1,0]=4 6305 B10R0.71 C#CCCCCOCCSC 7a_100000230434_100010269958 [0,2,0,0,0,0|1,1,0]=4 6306 B10R0.71 C#CCCCCOCCSC 7a_100000766709_100000212216 [0,2,0,0,0,0|1,1,0]=4 6307 B10R0.71 C#CCCCCSCCOC 62a_100000233755_100010269958 [0,2,0,0,0,0|1,1,0]=4 6308 B10R0.71 C#CCCCCSCCOC 62a_100010269958_100000233755 [0,2,0,0,0,0|1,1,0]=4 6309 B10R0.71 C#CCCCOCCCOC 34a_100000215630_100000740836 [0,2,0,0,0,0|1,0,1]=4 6310 B10R0.71 C#CCCCOCCCOC 34a_100000740835_100000695029 [0,2,0,0,0,0|1,0,1]=4 6311 B10R0.71 C#CCCCOCCCOC 7a_100000215630_100000740836 [0,2,0,0,0,0|1,0,1]=4 6312 B10R0.71 C#CCCCOCCOCC 34a_100000210136_100000695029 [0,2,0,0,0,0|1,0,1]=4 6313 B10R0.71 C#CCCCOCCOCC 34a_100000215630_100000210147 [0,2,0,0,0,0|1,0,1]=4 6314 B10R0.71 C#CCCCOCCOCC 7a_100000210136_100011215417 [0,2,0,0,0,0|1,0,1]=4 6315 B10R0.71 C#CCCCOCCOCC 7a_100000215630_100011215890 [0,2,0,0,0,0|1,0,1]=4 6316 B10R0.71 C#CCCOCCCCOC 34a_100000740925_100000688953 [0,2,0,0,0,0|1,0,1]=4 6317 B10R0.71 C#CCCOCCCCOC 34a_100011215631_100000755781 [0,2,0,0,0,0|1,0,1]=4 6318 B10R0.71 C#CCCOCCCOCC 34a_100000757476_100000688953 [0,2,0,0,0,0|1,0,1]=4 6319 B10R0.71 C#CCCOCCCOCC 34a_100011215631_100012232248 [0,2,0,0,0,0|1,0,1]=4 6320 B10R0.71 C#CCCOCCCOCC 7a_100000757476_100000688953 [0,2,0,0,0,0|1,0,1]=4 6321 B10R0.71 C#CCCOCCOCC#C 34a_100000054580_100000688953 [0,2,0,0,0,0|1,0,1]=4 6322 B10R0.71 C#CCCOCCOCC#C 34a_100011215631_100010402529 [0,2,0,0,0,0|1,0,1]=4 6323 B10R0.71 C#CCCOCCOCC#C 7a_100000054580_100000688953 [0,2,0,0,0,0|1,0,1]=4 6324 B10R0.71 C#CCCOCCOCC=C 34a_100000037705_100000688953 [0,2,0,0,0,0|1,0,1]=4 6325 B10R0.71 C#CCCOCCOCC=C 7a_100000037705_100000688953 [0,2,0,0,0,0|1,0,1]=4 6326 B10R0.71 C#CCCOCCOCCBr 34a_100000692535_100000688953 [0,2,0,0,0,0|1,0,1]=4 6327 B10R0.71 C#CCCOCCOCCBr 7a_100000692535_100000688953 [0,2,0,0,0,0|1,0,1]=4 6328 B10R0.71 C#CCCOCCOCCC 34a_100000752267_100000688953 [0,2,0,0,0,0|1,0,1]=4 6329 B10R0.71 C#CCCOCCOCCC 34a_100011215631_100011215938 [0,2,0,0,0,0|1,0,1]=4 6330 B10R0.71 C#CCCOCCOCCC 7a_100000752267_100000688953 [0,2,0,0,0,0|1,0,1]=4 6331 B10R0.71 C#CCCOCCOCCCl 34a_100011215305_100000688953 [0,2,0,0,0,0|1,0,1]=4 6332 B10R0.71 C#CCCOCCOCCCl 7a_100011215305_100000688953 [0,2,0,0,0,0|1,0,1]=4 6333 B10R0.71 C#CCCOCCOCCF 34a_200015357709_100000688953 [0,2,0,0,0,0|1,0,1]=4 6334 B10R0.71 C#CCCOCCOCCF 7a_200015357709_100000688953 [0,2,0,0,0,0|1,0,1]=4 6335 B10R0.71 C#CCCOCCOCCI 34a_100012149058_100000688953 [0,2,0,0,0,0|1,0,1]=4 6336 B10R0.71 C#CCCOCCOCCI 7a_100012149058_100000688953 [0,2,0,0,0,0|1,0,1]=4 6337 B10R0.71 C#CCCOCCOCCN 34a_100000211614_100000688953 [0,2,0,0,0,0|1,0,1]=4 6338 B10R0.71 C#CCCOCCOCCO 34a_100011215631_100000692535 [0,2,0,0,0,0|1,0,1]=4 6339 B10R0.71 C#CCCSCOCCOC 62a_100000231047_100000688953 [0,2,0,0,0,0|1,0,1]=4 6340 B10R0.71 C#CCCSCOCCOC 62a_100000688953_100000231047 [0,2,0,0,0,0|1,0,1]=4 6341 B10R0.71 C#CCNCCCCCOC 2230a_100000747528_100000038162 [0,2,0,0,0,0|2,0,0]=4 6342 B10R0.71 C#CCNCCCCCOC 34a_100000747528_100000184674 [0,2,0,0,0,0|2,0,0]=4 6343 B10R0.71 C#CCNCCOCCCC 34a_100000212058_100000743108 [0,2,0,0,0,0|2,0,0]=4 6344 B10R0.71 C#CCNCCOCCOC 2230a_100000745349_100000038162 [0,2,0,0,0,0|1,0,0]=3 6345 B10R0.71 C#CCNCCOCCOC 34a_100000212058_100000695917 [0,2,0,0,0,0|1,0,0]=3 6346 B10R0.71 C#CCNCCOCCOC 34a_100000745349_100000184674 [0,2,0,0,0,0|1,0,0]=3 6347 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [0,2,0,0,0,0|2,0,0]=4 6348 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [0,2,0,0,0,0|2,0,0]=4 6349 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [0,2,0,0,0,0|2,0,0]=4 6350 B10R0.71 C#CCOCCCCCNC 34a_100000722520_100000184674 [0,2,0,0,0,0|2,0,0]=4 6351 B10R0.71 C#CCOCCNCCCC 2230a_100000102301_100010402529 [0,2,0,0,0,0|2,0,0]=4 6352 B10R0.71 C#CCOCCNCCCC 2230a_100000700922_100000210211 [0,2,0,0,0,0|2,0,0]=4 6353 B10R0.71 C#CCOCCNCCCC 34a_100000700922_100000210210 [0,2,0,0,0,0|2,0,0]=4 6354 B10R0.71 C#CCOCCNCCCC 7a_106832991798_100010402529 [0,2,0,0,0,0|2,0,0]=4 6355 B10R0.71 C#CCOCCNCCOC 2230a_100000209980_100010402529 [0,2,0,0,0,0|1,0,0]=3 6356 B10R0.71 C#CCOCCNCCOC 2230a_100000700922_100011201679 [0,2,0,0,0,0|1,0,0]=3 6357 B10R0.71 C#CCOCCNCCOC 34a_100000700922_100011201679 [0,2,0,0,0,0|1,0,0]=3 6358 B10R0.71 C#CCOCCNCCSC 2230a_100000700922_100000751147 [0,2,0,0,0,0|1,1,0]=4 6359 B10R0.71 C#CCOCCNCCSC 2230a_100020590264_100010402529 [0,2,0,0,0,0|1,1,0]=4 6360 B10R0.71 C#CCOCCNCCSC 34a_100000700922_100000212216 [0,2,0,0,0,0|1,1,0]=4 6361 B10R0.71 C#CCOCCOC/C=C/C 34a_100000054580_100102629194 [0,2,0,0,0,0|1,0,1]=4 6362 B10R0.71 C#CCOCCOC/C=C/C 34a_100016270725_100010402529 [0,2,0,0,0,0|1,0,1]=4 6363 B10R0.71 C#CCOCCOC/C=C/C 7a_100000054580_100102629194 [0,2,0,0,0,0|1,0,1]=4 6364 B10R0.71 C#CCOCCOCC#CC 34a_100000054580_100000748600 [0,2,0,0,0,0|1,0,1]=4 6365 B10R0.71 C#CCOCCOCC#CC 34a_100000761923_100010402529 [0,2,0,0,0,0|1,0,1]=4 6366 B10R0.71 C#CCOCCOCC#CC 7a_100000054580_100000748600 [0,2,0,0,0,0|1,0,1]=4 6367 B10R0.71 C#CCOCCOCC=CC 34a_100000054580_100000070051 [0,2,0,0,0,0|1,0,1]=4 6368 B10R0.71 C#CCOCCOCC=CC 7a_100000054580_100000070051 [0,2,0,0,0,0|1,0,1]=4 6369 B10R0.71 C#CCOCCOCCC#N 7a_100000054580_100000184422 [0,2,0,0,0,0|2,0,0]=4 6370 B10R0.71 C#CCOCCOCCC=C 34a_100000054580_100000754431 [0,2,0,0,0,0|1,0,1]=4 6371 B10R0.71 C#CCOCCOCCC=C 34a_100011205117_100010402529 [0,2,0,0,0,0|1,0,1]=4 6372 B10R0.71 C#CCOCCOCCC=C 7a_100000054580_100000754431 [0,2,0,0,0,0|1,0,1]=4 6373 B10R0.71 C#CCOCCOCCCBr 34a_100011217188_100010402529 [0,2,0,0,0,0|2,0,0]=4 6374 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [0,2,0,0,0,0|1,0,0]=3 6375 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [0,2,0,0,0,0|1,0,0]=3 6376 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [0,2,0,0,0,0|1,0,0]=3 6377 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [0,2,0,0,0,0|1,0,0]=3 6378 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [0,2,0,0,0,0|1,0,0]=3 6379 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [0,2,0,0,0,0|1,0,0]=3 6380 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [0,2,0,0,0,0|1,0,0]=3 6381 B10R0.71 C#CCOCCOCCCCl 34a_100000230001_100010402529 [0,2,0,0,0,0|2,0,0]=4 6382 B10R0.71 C#CCOCCOCCCF 34a_100000054580_100011934791 [0,2,0,0,0,0|2,0,0]=4 6383 B10R0.71 C#CCOCCOCCCF 34a_100000759539_100010402529 [0,2,0,0,0,0|2,0,0]=4 6384 B10R0.71 C#CCOCCOCCCF 7a_100000054580_100011934791 [0,2,0,0,0,0|2,0,0]=4 6385 B10R0.71 C#CCOCCOCCCN 34a_100000182051_100010402529 [0,2,0,0,0,0|2,0,0]=4 6386 B10R0.71 C#CCOCCOCCCO 34a_100000054580_100000230001 [0,2,0,0,0,0|2,0,0]=4 6387 B10R0.71 C#CCOCCOCCCO 7a_100000054580_100011215043 [0,2,0,0,0,0|2,0,0]=4 6388 B10R0.71 C#CCOCCOCCNC 2230a_100000056377_200000210301 [0,2,0,0,0,0|1,0,0]=3 6389 B10R0.71 C#CCOCCOCCNC 2230a_106832991635_100010408581 [0,2,0,0,0,0|1,0,0]=3 6390 B10R0.71 C#CCOCCOCCNC 34a_100000056377_200000210301 [0,2,0,0,0,0|1,0,0]=3 6391 B10R0.71 C#CCOCCOCCNC 34a_100000228057_100000184674 [0,2,0,0,0,0|1,0,0]=3 6392 B10R0.71 C#CCOCCOCCNC 34a_100102657272_100010408581 [0,2,0,0,0,0|1,0,0]=3 6393 B10R0.71 C#CCOCCOCCNC 7a_106832991635_100010408581 [0,2,0,0,0,0|1,0,0]=3 6394 B10R0.71 C#CCOCCOCCN[13CH3] 2230a_100000056377_200025704644 [0,2,0,0,0,0|1,0,0]=3 6395 B10R0.71 C#CCOCCOCCN[13CH3] 34a_100000056377_200025704644 [0,2,0,0,0,0|1,0,0]=3 6396 B10R0.71 C#CCOCCOCCOC 34a_100000041007_200000210301 [0,2,0,0,0,0|0,0,0]=2 6397 B10R0.71 C#CCOCCOCCOC 34a_100000054580_100011201679 [0,2,0,0,0,0|0,0,0]=2 6398 B10R0.71 C#CCOCCOCCOC 34a_100000210237_100010402529 [0,2,0,0,0,0|0,0,0]=2 6399 B10R0.71 C#CCOCCOCCOC 34a_100000210247_100000695917 [0,2,0,0,0,0|0,0,0]=2 6400 B10R0.71 C#CCOCCOCCOC 34a_100011215163_100000184674 [0,2,0,0,0,0|0,0,0]=2 6401 B10R0.71 C#CCOCCOCCOC 34a_100138415774_100010408581 [0,2,0,0,0,0|0,0,0]=2 6402 B10R0.71 C#CCOCCOCCOC 7a_100000041007_200000210301 [0,2,0,0,0,0|0,0,0]=2 6403 B10R0.71 C#CCOCCOCCOC 7a_100000054580_100000233755 [0,2,0,0,0,0|0,0,0]=2 6404 B10R0.71 C#CCOCCOCCOC 7a_100011215163_100000038162 [0,2,0,0,0,0|0,0,0]=2 6405 B10R0.71 C#CCOCCOCCON 34a_100000700252_100010402529 [0,2,0,0,0,0|1,0,0]=3 6406 B10R0.71 C#CCOCCOCCO[13CH3] 34a_100000041007_200025704644 [0,2,0,0,0,0|0,0,0]=2 6407 B10R0.71 C#CCOCCOCCO[13CH3] 7a_100000041007_200025704644 [0,2,0,0,0,0|0,0,0]=2 6408 B10R0.71 C#CCOCCOCCSC 34a_100000054580_100000212216 [0,2,0,0,0,0|0,1,0]=3 6409 B10R0.71 C#CCOCCOCCSC 34a_100000230434_100010402529 [0,2,0,0,0,0|0,1,0]=3 6410 B10R0.71 C#CCOCCOCCSC 62a_100010408581_200000210301 [0,2,0,0,0,0|0,1,0]=3 6411 B10R0.71 C#CCOCCOCCSC 62a_200000210301_100010408581 [0,2,0,0,0,0|0,1,0]=3 6412 B10R0.71 C#CCOCCOCCSC 7a_100000054580_100000212216 [0,2,0,0,0,0|0,1,0]=3 6413 B10R0.71 C#CCOCCOCCSC 7a_100000230434_100010402529 [0,2,0,0,0,0|0,1,0]=3 6414 B10R0.71 C#CCOCCOCCS[13CH3] 62a_100010408581_200025704644 [0,2,0,0,0,0|0,1,0]=3 6415 B10R0.71 C#CCOCCOCCS[13CH3] 62a_200025704644_100010408581 [0,2,0,0,0,0|0,1,0]=3 6416 B10R0.71 C#CCOCCSCCCC 34a_200000230436_100000184674 [0,2,0,0,0,0|1,1,0]=4 6417 B10R0.71 C#CCOCCSCCCC 62a_100000210211_100010402529 [0,2,0,0,0,0|1,1,0]=4 6418 B10R0.71 C#CCOCCSCCCC 62a_100010402529_100000210210 [0,2,0,0,0,0|1,1,0]=4 6419 B10R0.71 C#CCOCCSCCCC 7a_200000230436_100000038162 [0,2,0,0,0,0|1,1,0]=4 6420 B10R0.71 C#CCOCCSCCOC 62a_100000233755_100010402529 [0,2,0,0,0,0|0,1,0]=3 6421 B10R0.71 C#CCOCCSCCOC 62a_100010402529_100000233755 [0,2,0,0,0,0|0,1,0]=3 6422 B10R0.71 C#CCOCCSCCSC 62a_100000212216_100010402529 [0,2,0,0,0,0|0,2,0]=4 6423 B10R0.71 C#CCOCCSCCSC 62a_100010402529_100000751147 [0,2,0,0,0,0|0,2,0]=4 6424 B10R0.71 C#CCSCCOCCCC 62a_100000038162_100000743108 [0,2,0,0,0,0|1,1,0]=4 6425 B10R0.71 C#CCSCCOCCOC 62a_100000038162_100000695917 [0,2,0,0,0,0|0,1,0]=3 6426 B10R0.71 C/C=C/C=C/COCCOC 34a_100016283227_100011201679 [0,2,0,0,0,0|1,0,1]=4 6427 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,2,0,0,0,0|2,0,0]=4 6428 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,2,0,0,0,0|2,0,0]=4 6429 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,2,0,0,0,0|2,0,0]=4 6430 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [0,2,0,0,0,0|1,0,0]=3 6431 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [0,2,0,0,0,0|1,0,0]=3 6432 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [0,2,0,0,0,0|1,1,0]=4 6433 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [0,2,0,0,0,0|1,0,1]=4 6434 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [0,2,0,0,0,0|1,0,1]=4 6435 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [0,2,0,0,0,0|1,0,1]=4 6436 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [0,2,0,0,0,0|1,0,1]=4 6437 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [0,2,0,0,0,0|1,0,1]=4 6438 B10R0.71 C/C=C/COCCOCCBr 34a_100000692535_100102629194 [0,2,0,0,0,0|1,0,1]=4 6439 B10R0.71 C/C=C/COCCOCCBr 7a_100000692535_100102629194 [0,2,0,0,0,0|1,0,1]=4 6440 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [0,2,0,0,0,0|1,0,1]=4 6441 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [0,2,0,0,0,0|1,0,1]=4 6442 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [0,2,0,0,0,0|1,0,1]=4 6443 B10R0.71 C/C=C/COCCOCCCl 34a_100011215305_100102629194 [0,2,0,0,0,0|1,0,1]=4 6444 B10R0.71 C/C=C/COCCOCCCl 7a_100011215305_100102629194 [0,2,0,0,0,0|1,0,1]=4 6445 B10R0.71 C/C=C/COCCOCCF 34a_200015357709_100102629194 [0,2,0,0,0,0|1,0,1]=4 6446 B10R0.71 C/C=C/COCCOCCF 7a_200015357709_100102629194 [0,2,0,0,0,0|1,0,1]=4 6447 B10R0.71 C/C=C/COCCOCCI 34a_100012149058_100102629194 [0,2,0,0,0,0|1,0,1]=4 6448 B10R0.71 C/C=C/COCCOCCI 7a_100012149058_100102629194 [0,2,0,0,0,0|1,0,1]=4 6449 B10R0.71 C/C=C/COCCOCCN 34a_100000211614_100102629194 [0,2,0,0,0,0|1,0,1]=4 6450 B10R0.71 C/C=C/COCCOCCO 34a_100016270725_100000692535 [0,2,0,0,0,0|1,0,1]=4 6451 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [0,2,0,0,0,0|2,0,0]=4 6452 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [0,2,0,0,0,0|2,0,0]=4 6453 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [0,2,0,0,0,0|2,0,0]=4 6454 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [0,2,0,0,0,0|2,0,0]=4 6455 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [0,2,0,0,0,0|2,0,0]=4 6456 B10R0.71 C/C=C/CSCOCCOC 62a_100000231047_100102629194 [0,2,0,0,0,0|1,0,0]=3 6457 B10R0.71 C/C=C/CSCOCCOC 62a_100102629194_100000231047 [0,2,0,0,0,0|1,0,0]=3 6458 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,2,0,0,0,0|2,0,0]=4 6459 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,2,0,0,0,0|2,0,0]=4 6460 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,2,0,0,0,0|2,0,0]=4 6461 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,2,0,0,0,0|2,0,0]=4 6462 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,2,0,0,0,0|2,0,0]=4 6463 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,2,0,0,0,0|2,0,0]=4 6464 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,2,0,0,0,0|2,0,0]=4 6465 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,2,0,0,0,0|2,0,0]=4 6466 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,2,0,0,0,0|2,0,0]=4 6467 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,2,0,0,0,0|2,0,0]=4 6468 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,2,0,0,0,0|2,0,0]=4 6469 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,2,0,0,0,0|2,0,0]=4 6470 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,2,0,0,0,0|1,0,0]=3 6471 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,2,0,0,0,0|1,0,0]=3 6472 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,2,0,0,0,0|1,0,0]=3 6473 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [0,2,0,0,0,0|2,0,0]=4 6474 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,2,0,0,0,0|1,1,0]=4 6475 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,2,0,0,0,0|1,1,0]=4 6476 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,2,0,0,0,0|1,1,0]=4 6477 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,2,0,0,0,0|1,1,0]=4 6478 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,2,0,0,0,0|1,1,0]=4 6479 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,2,0,0,0,0|1,1,0]=4 6480 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [0,2,0,0,0,0|1,0,1]=4 6481 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [0,2,0,0,0,0|1,0,1]=4 6482 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [0,2,0,0,0,0|1,0,1]=4 6483 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,2,0,0,0,0|1,0,1]=4 6484 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,2,0,0,0,0|1,0,1]=4 6485 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,2,0,0,0,0|1,0,1]=4 6486 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,2,0,0,0,0|1,0,1]=4 6487 B10R0.71 C=CCCNCOCCOC 2230a_100015191253_100000231047 [0,2,0,0,0,0|1,0,1]=4 6488 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [0,2,0,0,0,0|1,0,1]=4 6489 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [0,2,0,0,0,0|1,0,1]=4 6490 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,2,0,0,0,0|1,0,1]=4 6491 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,2,0,0,0,0|1,0,1]=4 6492 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,2,0,0,0,0|1,0,1]=4 6493 B10R0.71 C=CCCOCCOCC=C 34a_100000037705_100000754431 [0,2,0,0,0,0|1,0,1]=4 6494 B10R0.71 C=CCCOCCOCC=C 7a_100000037705_100000754431 [0,2,0,0,0,0|1,0,1]=4 6495 B10R0.71 C=CCCOCCOCCBr 34a_100000692535_100000754431 [0,2,0,0,0,0|1,0,1]=4 6496 B10R0.71 C=CCCOCCOCCBr 7a_100000692535_100000754431 [0,2,0,0,0,0|1,0,1]=4 6497 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,2,0,0,0,0|1,0,1]=4 6498 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,2,0,0,0,0|1,0,1]=4 6499 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,2,0,0,0,0|1,0,1]=4 6500 B10R0.71 C=CCCOCCOCCCl 34a_100011215305_100000754431 [0,2,0,0,0,0|1,0,1]=4 6501 B10R0.71 C=CCCOCCOCCCl 7a_100011215305_100000754431 [0,2,0,0,0,0|1,0,1]=4 6502 B10R0.71 C=CCCOCCOCCF 34a_200015357709_100000754431 [0,2,0,0,0,0|1,0,1]=4 6503 B10R0.71 C=CCCOCCOCCF 7a_200015357709_100000754431 [0,2,0,0,0,0|1,0,1]=4 6504 B10R0.71 C=CCCOCCOCCI 34a_100012149058_100000754431 [0,2,0,0,0,0|1,0,1]=4 6505 B10R0.71 C=CCCOCCOCCI 7a_100012149058_100000754431 [0,2,0,0,0,0|1,0,1]=4 6506 B10R0.71 C=CCCOCCOCCN 34a_100000211614_100000754431 [0,2,0,0,0,0|1,0,1]=4 6507 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [0,2,0,0,0,0|1,0,1]=4 6508 B10R0.71 C=CCCSCOCCOC 62a_100000231047_100000754431 [0,2,0,0,0,0|1,0,1]=4 6509 B10R0.71 C=CCCSCOCCOC 62a_100000754431_100000231047 [0,2,0,0,0,0|1,0,1]=4 6510 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [0,2,0,0,0,0|2,0,0]=4 6511 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [0,2,0,0,0,0|2,0,0]=4 6512 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [0,2,0,0,0,0|2,0,0]=4 6513 B10R0.71 C=CCNCCOCCOC 2230a_100000745349_100000210623 [0,2,0,0,0,0|1,0,0]=3 6514 B10R0.71 C=CCNCCOCCOC 2230a_100020586998_100000695917 [0,2,0,0,0,0|1,0,0]=3 6515 B10R0.71 C=CCNCCOCCOC 34a_100000745349_100015514636 [0,2,0,0,0,0|1,0,0]=3 6516 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,2,0,0,0,0|2,0,0]=4 6517 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,2,0,0,0,0|2,0,0]=4 6518 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,2,0,0,0,0|2,0,0]=4 6519 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,2,0,0,0,0|2,0,0]=4 6520 B10R0.71 C=CCOCCOC/C=C/C 34a_100000037705_100102629194 [0,2,0,0,0,0|1,0,1]=4 6521 B10R0.71 C=CCOCCOC/C=C/C 7a_100000037705_100102629194 [0,2,0,0,0,0|1,0,1]=4 6522 B10R0.71 C=CCOCCOCC#CC 34a_100000037705_100000748600 [0,2,0,0,0,0|1,0,1]=4 6523 B10R0.71 C=CCOCCOCC#CC 7a_100000037705_100000748600 [0,2,0,0,0,0|1,0,1]=4 6524 B10R0.71 C=CCOCCOCC=CC 34a_100000037705_100000070051 [0,2,0,0,0,0|1,0,1]=4 6525 B10R0.71 C=CCOCCOCC=CC 7a_100000037705_100000070051 [0,2,0,0,0,0|1,0,1]=4 6526 B10R0.71 C=CCOCCOCCC#N 7a_100000037705_100000184422 [0,2,0,0,0,0|2,0,0]=4 6527 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,2,0,0,0,0|1,0,0]=3 6528 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,2,0,0,0,0|1,0,0]=3 6529 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,2,0,0,0,0|1,0,0]=3 6530 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,2,0,0,0,0|1,0,0]=3 6531 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,2,0,0,0,0|1,0,0]=3 6532 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [0,2,0,0,0,0|2,0,0]=4 6533 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [0,2,0,0,0,0|2,0,0]=4 6534 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [0,2,0,0,0,0|2,0,0]=4 6535 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [0,2,0,0,0,0|2,0,0]=4 6536 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [0,2,0,0,0,0|1,0,0]=3 6537 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [0,2,0,0,0,0|0,0,0]=2 6538 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [0,2,0,0,0,0|0,0,0]=2 6539 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [0,2,0,0,0,0|0,0,0]=2 6540 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [0,2,0,0,0,0|0,0,0]=2 6541 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [0,2,0,0,0,0|0,0,0]=2 6542 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [0,2,0,0,0,0|0,0,0]=2 6543 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [0,2,0,0,0,0|0,0,0]=2 6544 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [0,2,0,0,0,0|0,0,0]=2 6545 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [0,2,0,0,0,0|0,0,0]=2 6546 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [0,2,0,0,0,0|0,1,0]=3 6547 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [0,2,0,0,0,0|0,1,0]=3 6548 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,2,0,0,0,0|1,1,0]=4 6549 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,2,0,0,0,0|1,1,0]=4 6550 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [0,2,0,0,0,0|1,1,0]=4 6551 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [0,2,0,0,0,0|1,1,0]=4 6552 B10R0.71 C=CCSCCOCCOC 62a_100000210623_100000695917 [0,2,0,0,0,0|0,1,0]=3 6553 B10R0.71 C=CCSCCOCCOC 62a_100000695917_100000210623 [0,2,0,0,0,0|0,1,0]=3 6554 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [0,2,0,0,0,0|1,0,1]=4 6555 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [0,2,0,0,0,0|1,0,1]=4 6556 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [0,2,0,0,0,0|1,0,1]=4 6557 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [0,2,0,0,0,0|1,0,1]=4 6558 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [0,2,0,0,0,0|1,0,1]=4 6559 B10R0.71 C=COCCOCC/C=C/C 34a_100016278192_100000039644 [0,2,0,0,0,0|1,0,1]=4 6560 B10R0.71 C=COCCOCCC#CC 34a_100000750427_100000039644 [0,2,0,0,0,0|1,0,1]=4 6561 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [0,2,0,0,0,0|1,0,1]=4 6562 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,2,0,0,0,0|1,0,1]=4 6563 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,2,0,0,0,0|1,0,1]=4 6564 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,2,0,0,0,0|1,0,1]=4 6565 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [0,2,0,0,0,0|1,0,1]=4 6566 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [0,2,0,0,0,0|1,0,1]=4 6567 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [0,2,0,0,0,0|1,0,1]=4 6568 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [0,2,0,0,0,0|1,0,1]=4 6569 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [0,2,0,0,0,0|1,0,1]=4 6570 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [0,2,0,0,0,0|1,0,1]=4 6571 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [0,2,0,0,0,0|1,0,1]=4 6572 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,2,0,0,0,0|1,0,1]=4 6573 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [0,2,0,0,0,0|1,0,1]=4 6574 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [0,2,0,0,0,0|0,0,1]=3 6575 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [0,2,0,0,0,0|0,0,1]=3 6576 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [0,2,0,0,0,0|0,1,1]=4 6577 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [0,2,0,0,0,0|0,1,1]=4 6578 B10R0.71 C=COCCOCCOC=C 34a_100000033082_100000039644 [0,2,0,0,0,0|0,0,2]=4 6579 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [0,2,0,0,0,0|0,0,1]=3 6580 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [0,2,0,0,0,0|0,0,1]=3 6581 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [0,2,0,0,0,0|0,0,1]=3 6582 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [0,2,0,0,0,0|0,0,1]=3 6583 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [0,2,0,0,0,0|0,0,1]=3 6584 B10R0.71 C=COCCOCCOCF 34a_100000039918_100015361967 [0,2,0,0,0,0|0,0,1]=3 6585 B10R0.71 C=COCCOCCOCF 7a_100000039918_100015361967 [0,2,0,0,0,0|0,0,1]=3 6586 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [0,2,0,0,0,0|0,1,1]=4 6587 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [0,2,0,0,0,0|0,1,1]=4 6588 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [0,2,0,0,0,0|0,1,1]=4 6589 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [0,2,0,0,0,0|0,1,1]=4 6590 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [0,2,0,0,0,0|0,1,1]=4 6591 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [0,2,0,0,0,0|0,1,1]=4 6592 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [0,2,0,0,0,0|0,1,1]=4 6593 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [0,2,0,0,0,0|2,0,0]=4 6594 B10R0.71 CC#CCCOCCCCF 34a_100000750427_100000729493 [0,2,0,0,0,0|2,0,0]=4 6595 B10R0.71 CC#CCCOCCCCO 34a_100000750427_100011216708 [0,2,0,0,0,0|2,0,0]=4 6596 B10R0.71 CC#CCCOCCCOC 34a_100000750427_100000740836 [0,2,0,0,0,0|1,0,0]=3 6597 B10R0.71 CC#CCCOCCOCC 34a_100000750427_100000210147 [0,2,0,0,0,0|1,0,0]=3 6598 B10R0.71 CC#CCCOCCSCC 34a_100000750427_100000757381 [0,2,0,0,0,0|1,1,0]=4 6599 B10R0.71 CC#CCNCCCCOC 2230a_100000685387_100000730899 [0,2,0,0,0,0|2,0,0]=4 6600 B10R0.71 CC#CCNCCCCOC 34a_100000685387_100000755781 [0,2,0,0,0,0|2,0,0]=4 6601 B10R0.71 CC#CCNCOCCCC 2230a_100000685387_100011995733 [0,2,0,0,0,0|2,0,0]=4 6602 B10R0.71 CC#CCNCOCCCC 34a_100000685387_100011995733 [0,2,0,0,0,0|2,0,0]=4 6603 B10R0.71 CC#CCNCOCCOC 2230a_100000685387_100000231047 [0,2,0,0,0,0|1,0,0]=3 6604 B10R0.71 CC#CCOCCCCOC 34a_100000740925_100000748600 [0,2,0,0,0,0|1,0,1]=4 6605 B10R0.71 CC#CCOCCCCOC 34a_100000761923_100000755781 [0,2,0,0,0,0|1,0,1]=4 6606 B10R0.71 CC#CCOCCCOCC 34a_100000757476_100000748600 [0,2,0,0,0,0|1,0,1]=4 6607 B10R0.71 CC#CCOCCCOCC 34a_100000761923_100012232248 [0,2,0,0,0,0|1,0,1]=4 6608 B10R0.71 CC#CCOCCCOCC 7a_100000757476_100000748600 [0,2,0,0,0,0|1,0,1]=4 6609 B10R0.71 CC#CCOCCOCCBr 34a_100000692535_100000748600 [0,2,0,0,0,0|1,0,1]=4 6610 B10R0.71 CC#CCOCCOCCBr 7a_100000692535_100000748600 [0,2,0,0,0,0|1,0,1]=4 6611 B10R0.71 CC#CCOCCOCCC 34a_100000752267_100000748600 [0,2,0,0,0,0|1,0,1]=4 6612 B10R0.71 CC#CCOCCOCCC 34a_100000761923_100011215938 [0,2,0,0,0,0|1,0,1]=4 6613 B10R0.71 CC#CCOCCOCCC 7a_100000752267_100000748600 [0,2,0,0,0,0|1,0,1]=4 6614 B10R0.71 CC#CCOCCOCCCl 34a_100011215305_100000748600 [0,2,0,0,0,0|1,0,1]=4 6615 B10R0.71 CC#CCOCCOCCCl 7a_100011215305_100000748600 [0,2,0,0,0,0|1,0,1]=4 6616 B10R0.71 CC#CCOCCOCCF 34a_200015357709_100000748600 [0,2,0,0,0,0|1,0,1]=4 6617 B10R0.71 CC#CCOCCOCCF 7a_200015357709_100000748600 [0,2,0,0,0,0|1,0,1]=4 6618 B10R0.71 CC#CCOCCOCCI 34a_100012149058_100000748600 [0,2,0,0,0,0|1,0,1]=4 6619 B10R0.71 CC#CCOCCOCCI 7a_100012149058_100000748600 [0,2,0,0,0,0|1,0,1]=4 6620 B10R0.71 CC#CCOCCOCCN 34a_100000211614_100000748600 [0,2,0,0,0,0|1,0,1]=4 6621 B10R0.71 CC#CCOCCOCCO 34a_100000761923_100000692535 [0,2,0,0,0,0|1,0,1]=4 6622 B10R0.71 CC#CCOCOCCCC 34a_100000761923_100011995733 [0,2,0,0,0,0|2,0,0]=4 6623 B10R0.71 CC#CCSCCCCOC 62a_100000730899_100000748600 [0,2,0,0,0,0|2,0,0]=4 6624 B10R0.71 CC#CCSCCCCOC 62a_100000748600_100000730899 [0,2,0,0,0,0|2,0,0]=4 6625 B10R0.71 CC#CCSCOCCCC 62a_100000748600_100011995733 [0,2,0,0,0,0|2,0,0]=4 6626 B10R0.71 CC#CCSCOCCCC 62a_100011995733_100000748600 [0,2,0,0,0,0|2,0,0]=4 6627 B10R0.71 CC#CCSCOCCOC 62a_100000231047_100000748600 [0,2,0,0,0,0|1,0,0]=3 6628 B10R0.71 CC#CCSCOCCOC 62a_100000748600_100000231047 [0,2,0,0,0,0|1,0,0]=3 6629 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,2,0,0,0,0|2,0,0]=4 6630 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,2,0,0,0,0|2,0,0]=4 6631 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,2,0,0,0,0|2,0,0]=4 6632 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,2,0,0,0,0|2,0,0]=4 6633 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [0,2,0,0,0,0|2,0,0]=4 6634 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,2,0,0,0,0|2,0,0]=4 6635 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,2,0,0,0,0|2,0,0]=4 6636 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,2,0,0,0,0|2,0,0]=4 6637 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,2,0,0,0,0|2,0,0]=4 6638 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [0,2,0,0,0,0|1,0,0]=3 6639 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [0,2,0,0,0,0|1,0,0]=3 6640 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [0,2,0,0,0,0|1,0,0]=3 6641 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [0,2,0,0,0,0|2,0,0]=4 6642 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [0,2,0,0,0,0|1,1,0]=4 6643 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [0,2,0,0,0,0|1,1,0]=4 6644 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [0,2,0,0,0,0|1,1,0]=4 6645 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [0,2,0,0,0,0|1,1,0]=4 6646 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [0,2,0,0,0,0|1,1,0]=4 6647 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [0,2,0,0,0,0|1,1,0]=4 6648 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [0,2,0,0,0,0|1,0,1]=4 6649 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [0,2,0,0,0,0|1,0,1]=4 6650 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [0,2,0,0,0,0|1,0,1]=4 6651 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [0,2,0,0,0,0|1,0,1]=4 6652 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [0,2,0,0,0,0|1,0,1]=4 6653 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [0,2,0,0,0,0|2,0,0]=4 6654 B10R0.71 CC=C=CCCOCCOC 34a_100011020354_100011201679 [0,2,0,0,0,0|1,0,0]=3 6655 B10R0.71 CC=C=CCCOCCSC 34a_100011020354_100000212216 [0,2,0,0,0,0|1,1,0]=4 6656 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,2,0,0,0,0|2,0,0]=4 6657 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [0,2,0,0,0,0|1,0,0]=3 6658 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [0,2,0,0,0,0|1,1,0]=4 6659 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [0,2,0,0,0,0|1,0,1]=4 6660 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [0,2,0,0,0,0|1,0,1]=4 6661 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [0,2,0,0,0,0|1,0,1]=4 6662 B10R0.71 CC=CCOCCOCCBr 34a_100000692535_100000070051 [0,2,0,0,0,0|1,0,1]=4 6663 B10R0.71 CC=CCOCCOCCBr 7a_100000692535_100000070051 [0,2,0,0,0,0|1,0,1]=4 6664 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [0,2,0,0,0,0|1,0,1]=4 6665 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [0,2,0,0,0,0|1,0,1]=4 6666 B10R0.71 CC=CCOCCOCCCl 34a_100011215305_100000070051 [0,2,0,0,0,0|1,0,1]=4 6667 B10R0.71 CC=CCOCCOCCCl 7a_100011215305_100000070051 [0,2,0,0,0,0|1,0,1]=4 6668 B10R0.71 CC=CCOCCOCCF 34a_200015357709_100000070051 [0,2,0,0,0,0|1,0,1]=4 6669 B10R0.71 CC=CCOCCOCCF 7a_200015357709_100000070051 [0,2,0,0,0,0|1,0,1]=4 6670 B10R0.71 CC=CCOCCOCCI 34a_100012149058_100000070051 [0,2,0,0,0,0|1,0,1]=4 6671 B10R0.71 CC=CCOCCOCCI 7a_100012149058_100000070051 [0,2,0,0,0,0|1,0,1]=4 6672 B10R0.71 CC=CCOCCOCCN 34a_100000211614_100000070051 [0,2,0,0,0,0|1,0,1]=4 6673 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [0,2,0,0,0,0|2,0,0]=4 6674 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [0,2,0,0,0,0|2,0,0]=4 6675 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [0,2,0,0,0,0|2,0,0]=4 6676 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [0,2,0,0,0,0|2,0,0]=4 6677 B10R0.71 CC=CCSCOCCOC 62a_100000070051_100000231047 [0,2,0,0,0,0|1,0,0]=3 6678 B10R0.71 CC=CCSCOCCOC 62a_100000231047_100000070051 [0,2,0,0,0,0|1,0,0]=3 6679 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [0,2,0,0,0,0|2,0,0]=4 6680 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [0,2,0,0,0,0|2,0,0]=4 6681 B10R0.71 CCC#CCCOCCOC 34a_100000036655_100011201679 [0,2,0,0,0,0|1,0,0]=3 6682 B10R0.71 CCC#CCCOCCOC 7a_100000036655_100000233755 [0,2,0,0,0,0|1,0,0]=3 6683 B10R0.71 CCC#CCCOCCSC 34a_100000036655_100000212216 [0,2,0,0,0,0|1,1,0]=4 6684 B10R0.71 CCC#CCCOCCSC 7a_100000036655_100000212216 [0,2,0,0,0,0|1,1,0]=4 6685 B10R0.71 CCC#CCOCCCOC 34a_100000032950_100000740836 [0,2,0,0,0,0|1,0,1]=4 6686 B10R0.71 CCC#CCOCCCOC 34a_100000740835_100009813939 [0,2,0,0,0,0|1,0,1]=4 6687 B10R0.71 CCC#CCOCCOCC 34a_100000032950_100000210147 [0,2,0,0,0,0|1,0,1]=4 6688 B10R0.71 CCC#CCOCCOCC 34a_100000210136_100009813939 [0,2,0,0,0,0|1,0,1]=4 6689 B10R0.71 CCC#CCOCCOCC 7a_100000210136_100009813939 [0,2,0,0,0,0|1,0,1]=4 6690 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [0,2,0,0,0,0|2,0,0]=4 6691 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [0,2,0,0,0,0|2,0,0]=4 6692 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [0,2,0,0,0,0|1,0,0]=3 6693 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [0,2,0,0,0,0|1,0,0]=3 6694 B10R0.71 CCC/C=C/COCCSC 34a_100016278788_100000212216 [0,2,0,0,0,0|1,1,0]=4 6695 B10R0.71 CCC/C=C/COCCSC 7a_100016278788_100000212216 [0,2,0,0,0,0|1,1,0]=4 6696 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [0,2,0,0,0,0|2,0,0]=4 6697 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [0,2,0,0,0,0|2,0,0]=4 6698 B10R0.71 CCCC#CCOCCOC 34a_100000034806_100011201679 [0,2,0,0,0,0|1,0,0]=3 6699 B10R0.71 CCCC#CCOCCOC 7a_100000034806_100000233755 [0,2,0,0,0,0|1,0,0]=3 6700 B10R0.71 CCCC#CCOCCSC 34a_100000034806_100000212216 [0,2,0,0,0,0|1,1,0]=4 6701 B10R0.71 CCCC#CCOCCSC 7a_100000034806_100000212216 [0,2,0,0,0,0|1,1,0]=4 6702 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [0,2,0,0,0,0|2,0,0]=4 6703 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [0,2,0,0,0,0|2,0,0]=4 6704 B10R0.71 CCCC/C=C\CCOCF 34a_200016286491_100015361967 [0,2,0,0,0,0|2,0,0]=4 6705 B10R0.71 CCCC/C=C\CCOCF 7a_200016286491_100015361967 [0,2,0,0,0,0|2,0,0]=4 6706 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [0,2,0,0,0,0|2,0,0]=4 6707 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [0,2,0,0,0,0|2,0,0]=4 6708 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [0,2,0,0,0,0|2,0,0]=4 6709 B10R0.71 CCCCC#CCCOCF 34a_100000037610_100015361967 [0,2,0,0,0,0|2,0,0]=4 6710 B10R0.71 CCCCC#CCCOCF 7a_100000037610_100015361967 [0,2,0,0,0,0|2,0,0]=4 6711 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,2,0,0,0,0|2,0,0]=4 6712 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,2,0,0,0,0|2,0,0]=4 6713 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,2,0,0,0,0|2,0,0]=4 6714 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,2,0,0,0,0|2,0,0]=4 6715 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [0,2,0,0,0,0|2,0,0]=4 6716 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [0,2,0,0,0,0|2,0,0]=4 6717 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [0,2,0,0,0,0|2,0,0]=4 6718 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [0,2,0,0,0,0|2,0,0]=4 6719 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,2,0,0,0,0|2,0,0]=4 6720 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,2,0,0,0,0|2,0,0]=4 6721 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,2,0,0,0,0|2,0,0]=4 6722 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,2,0,0,0,0|2,0,0]=4 6723 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,2,0,0,0,0|2,0,0]=4 6724 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,2,0,0,0,0|2,0,0]=4 6725 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,2,0,0,0,0|2,0,0]=4 6726 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,2,0,0,0,0|2,0,0]=4 6727 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,2,0,0,0,0|2,0,0]=4 6728 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,2,0,0,0,0|2,0,0]=4 6729 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,2,0,0,0,0|2,0,0]=4 6730 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,2,0,0,0,0|2,0,0]=4 6731 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,2,0,0,0,0|2,0,0]=4 6732 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,2,0,0,0,0|2,0,0]=4 6733 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,2,0,0,0,0|2,0,0]=4 6734 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,2,0,0,0,0|2,0,0]=4 6735 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,2,0,0,0,0|2,0,0]=4 6736 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,2,0,0,0,0|2,0,0]=4 6737 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,2,0,0,0,0|2,0,0]=4 6738 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [0,2,0,0,0,0|2,0,0]=4 6739 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,2,0,0,0,0|2,0,0]=4 6740 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,2,0,0,0,0|2,0,0]=4 6741 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,2,0,0,0,0|2,0,0]=4 6742 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,2,0,0,0,0|2,0,0]=4 6743 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,2,0,0,0,0|2,0,0]=4 6744 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,2,0,0,0,0|2,0,0]=4 6745 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,2,0,0,0,0|2,0,0]=4 6746 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,2,0,0,0,0|2,0,0]=4 6747 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,2,0,0,0,0|2,0,0]=4 6748 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,2,0,0,0,0|2,0,0]=4 6749 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,2,0,0,0,0|2,0,0]=4 6750 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,2,0,0,0,0|2,0,0]=4 6751 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,2,0,0,0,0|2,0,0]=4 6752 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,2,0,0,0,0|2,0,0]=4 6753 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,2,0,0,0,0|2,0,0]=4 6754 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,2,0,0,0,0|2,0,0]=4 6755 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,2,0,0,0,0|2,0,0]=4 6756 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,2,0,0,0,0|2,0,0]=4 6757 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,2,0,0,0,0|2,0,0]=4 6758 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,2,0,0,0,0|2,0,0]=4 6759 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,2,0,0,0,0|1,0,0]=3 6760 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,2,0,0,0,0|1,0,0]=3 6761 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,2,0,0,0,0|1,0,0]=3 6762 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,2,0,0,0,0|1,0,0]=3 6763 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,2,0,0,0,0|1,0,0]=3 6764 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,2,0,0,0,0|2,0,0]=4 6765 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,2,0,0,0,0|1,0,0]=3 6766 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,2,0,0,0,0|1,0,0]=3 6767 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,2,0,0,0,0|1,1,0]=4 6768 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,2,0,0,0,0|1,1,0]=4 6769 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,2,0,0,0,0|1,1,0]=4 6770 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,2,0,0,0,0|1,1,0]=4 6771 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,2,0,0,0,0|1,1,0]=4 6772 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,2,0,0,0,0|1,1,0]=4 6773 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,2,0,0,0,0|2,0,0]=4 6774 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,2,0,0,0,0|2,0,0]=4 6775 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,2,0,0,0,0|2,0,0]=4 6776 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,2,0,0,0,0|2,0,0]=4 6777 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,2,0,0,0,0|2,0,0]=4 6778 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,2,0,0,0,0|2,0,0]=4 6779 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,2,0,0,0,0|2,0,0]=4 6780 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,2,0,0,0,0|2,0,0]=4 6781 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,2,0,0,0,0|2,0,0]=4 6782 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,2,0,0,0,0|2,0,0]=4 6783 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,2,0,0,0,0|2,0,0]=4 6784 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,2,0,0,0,0|2,0,0]=4 6785 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,2,0,0,0,0|2,0,0]=4 6786 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,2,0,0,0,0|2,0,0]=4 6787 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,2,0,0,0,0|2,0,0]=4 6788 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,2,0,0,0,0|2,0,0]=4 6789 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,2,0,0,0,0|2,0,0]=4 6790 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,2,0,0,0,0|2,0,0]=4 6791 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,2,0,0,0,0|2,0,0]=4 6792 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,2,0,0,0,0|2,0,0]=4 6793 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,2,0,0,0,0|2,0,0]=4 6794 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,2,0,0,0,0|2,0,0]=4 6795 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [0,2,0,0,0,0|2,0,0]=4 6796 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,2,0,0,0,0|1,0,0]=3 6797 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,2,0,0,0,0|1,0,0]=3 6798 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,2,0,0,0,0|1,0,0]=3 6799 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,2,0,0,0,0|1,1,0]=4 6800 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,2,0,0,0,0|1,1,0]=4 6801 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,2,0,0,0,0|1,0,0]=3 6802 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,2,0,0,0,0|1,0,0]=3 6803 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,2,0,0,0,0|1,0,0]=3 6804 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,2,0,0,0,0|1,0,0]=3 6805 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,2,0,0,0,0|1,0,0]=3 6806 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,2,0,0,0,0|1,0,0]=3 6807 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,2,0,0,0,0|1,0,0]=3 6808 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,2,0,0,0,0|1,0,0]=3 6809 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,2,0,0,0,0|1,1,0]=4 6810 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,2,0,0,0,0|1,1,0]=4 6811 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,2,0,0,0,0|1,1,0]=4 6812 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,2,0,0,0,0|1,1,0]=4 6813 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,2,0,0,0,0|1,1,0]=4 6814 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,2,0,0,0,0|1,1,0]=4 6815 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,2,0,0,0,0|1,1,0]=4 6816 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,2,0,0,0,0|1,1,0]=4 6817 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,2,0,0,0,0|2,0,0]=4 6818 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,2,0,0,0,0|2,0,0]=4 6819 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,2,0,0,0,0|2,0,0]=4 6820 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,2,0,0,0,0|2,0,0]=4 6821 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,2,0,0,0,0|2,0,0]=4 6822 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,2,0,0,0,0|2,0,0]=4 6823 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,2,0,0,0,0|2,0,0]=4 6824 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,2,0,0,0,0|2,0,0]=4 6825 B10R0.71 CCCCNCCOCC#N 2230a_100000102301_200000047693 [0,2,0,0,0,0|2,0,0]=4 6826 B10R0.71 CCCCNCCOCC#N 7a_106832991798_200000047693 [0,2,0,0,0,0|2,0,0]=4 6827 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,2,0,0,0,0|2,0,0]=4 6828 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,2,0,0,0,0|2,0,0]=4 6829 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,2,0,0,0,0|2,0,0]=4 6830 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,2,0,0,0,0|2,0,0]=4 6831 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,2,0,0,0,0|2,0,0]=4 6832 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,2,0,0,0,0|2,0,0]=4 6833 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,2,0,0,0,0|2,0,0]=4 6834 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,2,0,0,0,0|2,0,0]=4 6835 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [0,2,0,0,0,0|2,0,0]=4 6836 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,2,0,0,0,0|1,0,0]=3 6837 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [0,2,0,0,0,0|2,0,0]=4 6838 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,2,0,0,0,0|2,0,0]=4 6839 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,2,0,0,0,0|2,0,0]=4 6840 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,2,0,0,0,0|2,0,0]=4 6841 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,2,0,0,0,0|2,0,0]=4 6842 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,2,0,0,0,0|2,0,0]=4 6843 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,2,0,0,0,0|2,0,0]=4 6844 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,2,0,0,0,0|2,0,0]=4 6845 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,2,0,0,0,0|2,0,0]=4 6846 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,2,0,0,0,0|2,0,0]=4 6847 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,2,0,0,0,0|2,0,0]=4 6848 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,2,0,0,0,0|2,0,0]=4 6849 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,2,0,0,0,0|2,0,0]=4 6850 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,2,0,0,0,0|1,0,0]=3 6851 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,2,0,0,0,0|1,0,0]=3 6852 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,2,0,0,0,0|1,0,0]=3 6853 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,2,0,0,0,0|1,0,0]=3 6854 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,2,0,0,0,0|1,0,0]=3 6855 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,2,0,0,0,0|1,0,0]=3 6856 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,2,0,0,0,0|1,0,0]=3 6857 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,2,0,0,0,0|1,1,0]=4 6858 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,2,0,0,0,0|1,1,0]=4 6859 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,2,0,0,0,0|2,0,0]=4 6860 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,2,0,0,0,0|2,0,0]=4 6861 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [0,2,0,0,0,0|2,0,0]=4 6862 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,2,0,0,0,0|1,0,0]=3 6863 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,2,0,0,0,0|1,0,0]=3 6864 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,2,0,0,0,0|1,0,0]=3 6865 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,2,0,0,0,0|1,0,0]=3 6866 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,2,0,0,0,0|1,0,0]=3 6867 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,2,0,0,0,0|1,0,0]=3 6868 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [0,2,0,0,0,0|1,0,0]=3 6869 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [0,2,0,0,0,0|1,0,0]=3 6870 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,2,0,0,0,0|1,1,0]=4 6871 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,2,0,0,0,0|1,1,0]=4 6872 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,2,0,0,0,0|2,0,0]=4 6873 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,2,0,0,0,0|2,0,0]=4 6874 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,2,0,0,0,0|2,0,0]=4 6875 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [0,2,0,0,0,0|1,0,0]=3 6876 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [0,2,0,0,0,0|1,0,0]=3 6877 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,2,0,0,0,0|1,0,0]=3 6878 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,2,0,0,0,0|1,0,0]=3 6879 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,2,0,0,0,0|1,0,0]=3 6880 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,2,0,0,0,0|1,0,0]=3 6881 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,2,0,0,0,0|1,0,0]=3 6882 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,2,0,0,0,0|1,0,0]=3 6883 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,2,0,0,0,0|1,0,0]=3 6884 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,2,0,0,0,0|1,0,0]=3 6885 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,2,0,0,0,0|1,0,0]=3 6886 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,2,0,0,0,0|1,0,0]=3 6887 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,2,0,0,0,0|1,0,0]=3 6888 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,2,0,0,0,0|1,0,0]=3 6889 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,2,0,0,0,0|1,0,0]=3 6890 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,2,0,0,0,0|1,0,0]=3 6891 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,2,0,0,0,0|1,0,0]=3 6892 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,2,0,0,0,0|1,0,0]=3 6893 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,2,0,0,0,0|1,0,0]=3 6894 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,2,0,0,0,0|1,0,0]=3 6895 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,2,0,0,0,0|1,0,0]=3 6896 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,2,0,0,0,0|1,0,0]=3 6897 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,2,0,0,0,0|1,0,0]=3 6898 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,2,0,0,0,0|1,0,0]=3 6899 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,2,0,0,0,0|1,0,0]=3 6900 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,2,0,0,0,0|1,0,0]=3 6901 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,2,0,0,0,0|1,0,0]=3 6902 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,2,0,0,0,0|1,0,0]=3 6903 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [0,2,0,0,0,0|1,0,0]=3 6904 B10R0.71 CCCCOCCSCC#N 62a_100000743108_100011215382 [0,2,0,0,0,0|1,1,0]=4 6905 B10R0.71 CCCCOCCSCC#N 62a_100011215382_100000743108 [0,2,0,0,0,0|1,1,0]=4 6906 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,2,0,0,0,0|1,1,0]=4 6907 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,2,0,0,0,0|1,1,0]=4 6908 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,2,0,0,0,0|1,1,0]=4 6909 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,2,0,0,0,0|1,1,0]=4 6910 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,2,0,0,0,0|1,1,0]=4 6911 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,2,0,0,0,0|1,1,0]=4 6912 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [0,2,0,0,0,0|1,1,0]=4 6913 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [0,2,0,0,0,0|1,1,0]=4 6914 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,2,0,0,0,0|1,1,0]=4 6915 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,2,0,0,0,0|1,1,0]=4 6916 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [0,2,0,0,0,0|1,0,0]=3 6917 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [0,2,0,0,0,0|1,0,0]=3 6918 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [0,2,0,0,0,0|1,1,0]=4 6919 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [0,2,0,0,0,0|1,1,0]=4 6920 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [0,2,0,0,0,0|2,0,0]=4 6921 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [0,2,0,0,0,0|2,0,0]=4 6922 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [0,2,0,0,0,0|1,0,0]=3 6923 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [0,2,0,0,0,0|1,1,0]=4 6924 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [0,2,0,0,0,0|2,0,0]=4 6925 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [0,2,0,0,0,0|2,0,0]=4 6926 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [0,2,0,0,0,0|2,0,0]=4 6927 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [0,2,0,0,0,0|2,0,0]=4 6928 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [0,2,0,0,0,0|2,0,0]=4 6929 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,2,0,0,0,0|1,0,0]=3 6930 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,2,0,0,0,0|2,0,0]=4 6931 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [0,2,0,0,0,0|1,1,0]=4 6932 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [0,2,0,0,0,0|2,0,0]=4 6933 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [0,2,0,0,0,0|2,0,0]=4 6934 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [0,2,0,0,0,0|2,0,0]=4 6935 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [0,2,0,0,0,0|2,0,0]=4 6936 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,2,0,0,0,0|2,0,0]=4 6937 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,2,0,0,0,0|2,0,0]=4 6938 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [0,2,0,0,0,0|1,0,0]=3 6939 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [0,2,0,0,0,0|1,0,0]=3 6940 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [0,2,0,0,0,0|1,1,0]=4 6941 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [0,2,0,0,0,0|1,1,0]=4 6942 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [0,2,0,0,0,0|1,0,0]=3 6943 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [0,2,0,0,0,0|1,0,0]=3 6944 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,2,0,0,0,0|1,1,0]=4 6945 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,2,0,0,0,0|1,1,0]=4 6946 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,2,0,0,0,0|1,1,0]=4 6947 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,2,0,0,0,0|1,1,0]=4 6948 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [0,2,0,0,0,0|1,1,0]=4 6949 B10R0.71 CCCCSCCOCC#N 62a_100000210211_200000047693 [0,2,0,0,0,0|1,1,0]=4 6950 B10R0.71 CCCCSCCOCC#N 62a_200000047693_100000210210 [0,2,0,0,0,0|1,1,0]=4 6951 B10R0.71 CCCCSCCOCC#N 7a_200000230436_100011215382 [0,2,0,0,0,0|1,1,0]=4 6952 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,2,0,0,0,0|1,1,0]=4 6953 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,2,0,0,0,0|1,1,0]=4 6954 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,2,0,0,0,0|1,1,0]=4 6955 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,2,0,0,0,0|1,1,0]=4 6956 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,2,0,0,0,0|1,1,0]=4 6957 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,2,0,0,0,0|1,1,0]=4 6958 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,2,0,0,0,0|1,1,0]=4 6959 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,2,0,0,0,0|1,1,0]=4 6960 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,2,0,0,0,0|1,1,0]=4 6961 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,2,0,0,0,0|1,1,0]=4 6962 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,2,0,0,0,0|1,1,0]=4 6963 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,2,0,0,0,0|1,1,0]=4 6964 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [0,2,0,0,0,0|1,1,0]=4 6965 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,2,0,0,0,0|1,0,0]=3 6966 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,2,0,0,0,0|1,0,0]=3 6967 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,2,0,0,0,0|2,0,0]=4 6968 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,2,0,0,0,0|2,0,0]=4 6969 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,2,0,0,0,0|1,0,0]=3 6970 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,2,0,0,0,0|1,0,0]=3 6971 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,2,0,0,0,0|2,0,0]=4 6972 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,2,0,0,0,0|2,0,0]=4 6973 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,2,0,0,0,0|1,0,0]=3 6974 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,2,0,0,0,0|1,0,0]=3 6975 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,2,0,0,0,0|1,0,0]=3 6976 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [0,2,0,0,0,0|1,1,0]=4 6977 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [0,2,0,0,0,0|1,1,0]=4 6978 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [0,2,0,0,0,0|1,1,0]=4 6979 B10R0.71 CCCOCCOCCC#N 7a_100000752267_100000184422 [0,2,0,0,0,0|2,0,0]=4 6980 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,2,0,0,0,0|2,0,0]=4 6981 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,2,0,0,0,0|2,0,0]=4 6982 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,2,0,0,0,0|2,0,0]=4 6983 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,2,0,0,0,0|2,0,0]=4 6984 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,2,0,0,0,0|2,0,0]=4 6985 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,2,0,0,0,0|2,0,0]=4 6986 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,2,0,0,0,0|2,0,0]=4 6987 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,2,0,0,0,0|2,0,0]=4 6988 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [0,2,0,0,0,0|1,0,0]=3 6989 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [0,2,0,0,0,0|1,0,0]=3 6990 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [0,2,0,0,0,0|1,0,0]=3 6991 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [0,2,0,0,0,0|1,0,0]=3 6992 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [0,2,0,0,0,0|1,0,0]=3 6993 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,2,0,0,0,0|0,0,0]=2 6994 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,2,0,0,0,0|0,0,0]=2 6995 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,2,0,0,0,0|0,0,0]=2 6996 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,2,0,0,0,0|0,0,0]=2 6997 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,2,0,0,0,0|0,0,0]=2 6998 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,2,0,0,0,0|0,0,0]=2 6999 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,2,0,0,0,0|1,0,0]=3 7000 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [0,2,0,0,0,0|0,1,0]=3 7001 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [0,2,0,0,0,0|0,1,0]=3 7002 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [0,2,0,0,0,0|0,1,0]=3 7003 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [0,2,0,0,0,0|0,1,0]=3 7004 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,2,0,0,0,0|0,1,0]=3 7005 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,2,0,0,0,0|0,1,0]=3 7006 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [0,2,0,0,0,0|0,2,0]=4 7007 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [0,2,0,0,0,0|0,2,0]=4 7008 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,2,0,0,0,0|1,1,0]=4 7009 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,2,0,0,0,0|0,1,0]=3 7010 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,2,0,0,0,0|0,1,0]=3 7011 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,2,0,0,0,0|0,1,0]=3 7012 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,2,0,0,0,0|0,1,0]=3 7013 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [0,2,0,0,0,0|0,2,0]=4 7014 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [0,2,0,0,0,0|0,2,0]=4 7015 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,2,0,0,0,0|2,0,0]=4 7016 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,2,0,0,0,0|1,0,0]=3 7017 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,2,0,0,0,0|1,0,0]=3 7018 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,2,0,0,0,0|1,0,0]=3 7019 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [0,2,0,0,0,0|1,0,0]=3 7020 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [0,2,0,0,0,0|1,0,0]=3 7021 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [0,2,0,0,0,0|1,0,0]=3 7022 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,2,0,0,0,0|2,0,0]=4 7023 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,2,0,0,0,0|2,0,0]=4 7024 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,2,0,0,0,0|2,0,0]=4 7025 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,2,0,0,0,0|2,0,0]=4 7026 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,2,0,0,0,0|1,0,0]=3 7027 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,2,0,0,0,0|1,0,0]=3 7028 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,2,0,0,0,0|1,0,0]=3 7029 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,2,0,0,0,0|1,0,0]=3 7030 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,2,0,0,0,0|1,0,0]=3 7031 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,2,0,0,0,0|1,0,0]=3 7032 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [0,2,0,0,0,0|1,1,0]=4 7033 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [0,2,0,0,0,0|1,1,0]=4 7034 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [0,2,0,0,0,0|1,1,0]=4 7035 B10R0.71 CCOCCCOCCC#N 7a_100000757476_100000184422 [0,2,0,0,0,0|2,0,0]=4 7036 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,2,0,0,0,0|2,0,0]=4 7037 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,2,0,0,0,0|2,0,0]=4 7038 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,2,0,0,0,0|2,0,0]=4 7039 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,2,0,0,0,0|2,0,0]=4 7040 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,2,0,0,0,0|2,0,0]=4 7041 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,2,0,0,0,0|2,0,0]=4 7042 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,2,0,0,0,0|2,0,0]=4 7043 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,2,0,0,0,0|2,0,0]=4 7044 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,2,0,0,0,0|2,0,0]=4 7045 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,2,0,0,0,0|0,0,0]=2 7046 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,2,0,0,0,0|0,0,0]=2 7047 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,2,0,0,0,0|0,0,0]=2 7048 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,2,0,0,0,0|0,0,0]=2 7049 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,2,0,0,0,0|1,0,0]=3 7050 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [0,2,0,0,0,0|0,1,0]=3 7051 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [0,2,0,0,0,0|0,1,0]=3 7052 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [0,2,0,0,0,0|0,1,0]=3 7053 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [0,2,0,0,0,0|0,1,0]=3 7054 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,2,0,0,0,0|0,1,0]=3 7055 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,2,0,0,0,0|0,1,0]=3 7056 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [0,2,0,0,0,0|0,2,0]=4 7057 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [0,2,0,0,0,0|0,2,0]=4 7058 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [0,2,0,0,0,0|2,0,0]=4 7059 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [0,2,0,0,0,0|2,0,0]=4 7060 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [0,2,0,0,0,0|2,0,0]=4 7061 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [0,2,0,0,0,0|2,0,0]=4 7062 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,2,0,0,0,0|2,0,0]=4 7063 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,2,0,0,0,0|2,0,0]=4 7064 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,2,0,0,0,0|2,0,0]=4 7065 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,2,0,0,0,0|2,0,0]=4 7066 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,2,0,0,0,0|1,0,0]=3 7067 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,2,0,0,0,0|1,0,0]=3 7068 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,2,0,0,0,0|1,0,0]=3 7069 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [0,2,0,0,0,0|1,1,0]=4 7070 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [0,2,0,0,0,0|1,0,0]=3 7071 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [0,2,0,0,0,0|1,0,0]=3 7072 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [0,2,0,0,0,0|1,1,0]=4 7073 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [0,2,0,0,0,0|1,1,0]=4 7074 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [0,2,0,0,0,0|1,1,0]=4 7075 B10R0.71 CCOCCOCC#CCCl 34a_200000047223_100000210147 [0,2,0,0,0,0|1,0,1]=4 7076 B10R0.71 CCOCCOCC#CCO 34a_100000210136_200000047223 [0,2,0,0,0,0|1,0,1]=4 7077 B10R0.71 CCOCCOCC#CCO 7a_100000210136_200000047223 [0,2,0,0,0,0|1,0,1]=4 7078 B10R0.71 CCOCCOCCCC#N 7a_100000210136_100000687738 [0,2,0,0,0,0|1,0,1]=4 7079 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,2,0,0,0,0|1,0,1]=4 7080 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [0,2,0,0,0,0|1,0,0]=3 7081 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [0,2,0,0,0,0|1,0,0]=3 7082 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [0,2,0,0,0,0|1,0,0]=3 7083 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [0,2,0,0,0,0|1,0,0]=3 7084 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [0,2,0,0,0,0|1,0,0]=3 7085 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [0,2,0,0,0,0|1,0,0]=3 7086 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [0,2,0,0,0,0|1,0,0]=3 7087 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [0,2,0,0,0,0|1,0,0]=3 7088 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [0,2,0,0,0,0|1,0,0]=3 7089 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,2,0,0,0,0|1,0,0]=3 7090 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,2,0,0,0,0|1,0,0]=3 7091 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [0,2,0,0,0,0|1,0,0]=3 7092 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,2,0,0,0,0|0,0,0]=2 7093 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,2,0,0,0,0|0,0,0]=2 7094 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,2,0,0,0,0|0,0,0]=2 7095 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [0,2,0,0,0,0|0,1,0]=3 7096 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [0,2,0,0,0,0|0,1,0]=3 7097 B10R0.71 CCOCCOCCNCF 34a_100102712874_100015361967 [0,2,0,0,0,0|1,0,0]=3 7098 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [0,2,0,0,0,0|0,0,0]=2 7099 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [0,2,0,0,0,0|0,0,0]=2 7100 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [0,2,0,0,0,0|0,0,0]=2 7101 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [0,2,0,0,0,0|0,0,0]=2 7102 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [0,2,0,0,0,0|0,0,0]=2 7103 B10R0.71 CCOCCOCCOCF 34a_100000210240_100015361967 [0,2,0,0,0,0|0,0,0]=2 7104 B10R0.71 CCOCCOCCOCF 7a_100000210240_100015361967 [0,2,0,0,0,0|0,0,0]=2 7105 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [0,2,0,0,0,0|0,1,0]=3 7106 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [0,2,0,0,0,0|0,1,0]=3 7107 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [0,2,0,0,0,0|0,1,0]=3 7108 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [0,2,0,0,0,0|0,1,0]=3 7109 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [0,2,0,0,0,0|0,1,0]=3 7110 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [0,2,0,0,0,0|0,1,0]=3 7111 B10R0.71 CCOCCOCCSCF 62a_100011211534_100015361967 [0,2,0,0,0,0|0,1,0]=3 7112 B10R0.71 CCOCCOCCSCF 62a_100015361967_100011211534 [0,2,0,0,0,0|0,1,0]=3 7113 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [0,2,0,0,0,0|1,1,0]=4 7114 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [0,2,0,0,0,0|1,1,0]=4 7115 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,2,0,0,0,0|1,1,0]=4 7116 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,2,0,0,0,0|1,1,0]=4 7117 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,2,0,0,0,0|0,1,0]=3 7118 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,2,0,0,0,0|0,1,0]=3 7119 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [0,2,0,0,0,0|0,1,0]=3 7120 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [0,2,0,0,0,0|0,2,0]=4 7121 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [0,2,0,0,0,0|0,2,0]=4 7122 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [0,2,0,0,0,0|1,0,0]=3 7123 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [0,2,0,0,0,0|1,0,0]=3 7124 B10R0.71 CCOCSCOCCOC 62a_100000231047_100000739092 [0,2,0,0,0,0|0,0,0]=2 7125 B10R0.71 CCOCSCOCCOC 62a_100000739092_100000231047 [0,2,0,0,0,0|0,0,0]=2 7126 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,2,0,0,0,0|1,1,0]=4 7127 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,2,0,0,0,0|1,1,0]=4 7128 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,2,0,0,0,0|0,1,0]=3 7129 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,2,0,0,0,0|0,1,0]=3 7130 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,2,0,0,0,0|0,1,0]=3 7131 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,2,0,0,0,0|0,1,0]=3 7132 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [0,2,0,0,0,0|0,2,0]=4 7133 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [0,2,0,0,0,0|0,2,0]=4 7134 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [0,2,0,0,0,0|1,1,0]=4 7135 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [0,2,0,0,0,0|1,1,0]=4 7136 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [0,2,0,0,0,0|1,1,0]=4 7137 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [0,2,0,0,0,0|1,1,0]=4 7138 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [0,2,0,0,0,0|1,1,0]=4 7139 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [0,2,0,0,0,0|1,1,0]=4 7140 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [0,2,0,0,0,0|1,1,0]=4 7141 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [0,2,0,0,0,0|1,1,0]=4 7142 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [0,2,0,0,0,0|1,1,0]=4 7143 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [0,2,0,0,0,0|1,1,0]=4 7144 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [0,2,0,0,0,0|1,1,0]=4 7145 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,2,0,0,0,0|1,1,0]=4 7146 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,2,0,0,0,0|1,1,0]=4 7147 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [0,2,0,0,0,0|1,1,0]=4 7148 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [0,2,0,0,0,0|0,1,0]=3 7149 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [0,2,0,0,0,0|0,1,0]=3 7150 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [0,2,0,0,0,0|0,1,0]=3 7151 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [0,2,0,0,0,0|0,2,0]=4 7152 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [0,2,0,0,0,0|0,2,0]=4 7153 B10R0.71 CCSCCOCCSCC 34a_100000212035_100000757381 [0,2,0,0,0,0|0,2,0]=4 7154 B10R0.71 CCSCCOCCSCC 7a_100000212035_100000757381 [0,2,0,0,0,0|0,2,0]=4 7155 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [0,2,0,0,0,0|0,2,0]=4 7156 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [0,2,0,0,0,0|0,2,0]=4 7157 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,2,0,0,0,0|2,0,0]=4 7158 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,2,0,0,0,0|2,0,0]=4 7159 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,2,0,0,0,0|2,0,0]=4 7160 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [0,2,0,0,0,0|2,0,0]=4 7161 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [0,2,0,0,0,0|2,0,0]=4 7162 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,2,0,0,0,0|2,0,0]=4 7163 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [0,2,0,0,0,0|1,0,0]=3 7164 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [0,2,0,0,0,0|1,0,0]=3 7165 B10R0.71 CNCCOCCOCCF 34a_100000228057_100011217306 [0,2,0,0,0,0|1,0,0]=3 7166 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [0,2,0,0,0,0|1,0,0]=3 7167 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [0,2,0,0,0,0|1,0,0]=3 7168 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [0,2,0,0,0,0|1,0,0]=3 7169 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [0,2,0,0,0,0|1,0,0]=3 7170 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [0,2,0,0,0,0|1,0,0]=3 7171 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [0,2,0,0,0,0|1,0,0]=3 7172 B10R0.71 CNCCOCCOCSC 34a_100000228057_100011218213 [0,2,0,0,0,0|1,0,0]=3 7173 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,2,0,0,0,0|2,0,0]=4 7174 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,2,0,0,0,0|2,0,0]=4 7175 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,2,0,0,0,0|2,0,0]=4 7176 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,2,0,0,0,0|2,0,0]=4 7177 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,2,0,0,0,0|2,0,0]=4 7178 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,2,0,0,0,0|2,0,0]=4 7179 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,2,0,0,0,0|1,0,0]=3 7180 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,2,0,0,0,0|1,0,0]=3 7181 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,2,0,0,0,0|1,1,0]=4 7182 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,2,0,0,0,0|1,1,0]=4 7183 B10R0.71 COCCCCCNCC#N 2230a_100000747528_100011215382 [0,2,0,0,0,0|2,0,0]=4 7184 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,2,0,0,0,0|2,0,0]=4 7185 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,2,0,0,0,0|2,0,0]=4 7186 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,2,0,0,0,0|2,0,0]=4 7187 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,2,0,0,0,0|2,0,0]=4 7188 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,2,0,0,0,0|2,0,0]=4 7189 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,2,0,0,0,0|2,0,0]=4 7190 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,2,0,0,0,0|2,0,0]=4 7191 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,2,0,0,0,0|1,0,0]=3 7192 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,2,0,0,0,0|1,1,0]=4 7193 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,2,0,0,0,0|1,1,0]=4 7194 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [0,2,0,0,0,0|2,0,0]=4 7195 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [0,2,0,0,0,0|2,0,0]=4 7196 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [0,2,0,0,0,0|1,0,0]=3 7197 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [0,2,0,0,0,0|1,1,0]=4 7198 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [0,2,0,0,0,0|2,0,0]=4 7199 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [0,2,0,0,0,0|2,0,0]=4 7200 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [0,2,0,0,0,0|2,0,0]=4 7201 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [0,2,0,0,0,0|2,0,0]=4 7202 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [0,2,0,0,0,0|2,0,0]=4 7203 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,2,0,0,0,0|2,0,0]=4 7204 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,2,0,0,0,0|0,0,0]=2 7205 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,2,0,0,0,0|0,0,0]=2 7206 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,2,0,0,0,0|1,0,0]=3 7207 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [0,2,0,0,0,0|0,1,0]=3 7208 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [0,2,0,0,0,0|0,1,0]=3 7209 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [0,2,0,0,0,0|0,1,0]=3 7210 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [0,2,0,0,0,0|2,0,0]=4 7211 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [0,2,0,0,0,0|2,0,0]=4 7212 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,2,0,0,0,0|2,0,0]=4 7213 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,2,0,0,0,0|2,0,0]=4 7214 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [0,2,0,0,0,0|0,1,0]=3 7215 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [0,2,0,0,0,0|0,1,0]=3 7216 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [0,2,0,0,0,0|0,2,0]=4 7217 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [0,2,0,0,0,0|0,2,0]=4 7218 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [0,2,0,0,0,0|2,0,0]=4 7219 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,2,0,0,0,0|2,0,0]=4 7220 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,2,0,0,0,0|2,0,0]=4 7221 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,2,0,0,0,0|2,0,0]=4 7222 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [0,2,0,0,0,0|1,0,0]=3 7223 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [0,2,0,0,0,0|1,1,0]=4 7224 B10R0.71 COCCCOCC#CCCl 34a_200000047223_100000740836 [0,2,0,0,0,0|1,0,1]=4 7225 B10R0.71 COCCCOCC#CCO 34a_100000740835_200000047223 [0,2,0,0,0,0|1,0,1]=4 7226 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [0,2,0,0,0,0|1,0,0]=3 7227 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [0,2,0,0,0,0|1,0,0]=3 7228 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [0,2,0,0,0,0|1,0,0]=3 7229 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [0,2,0,0,0,0|1,0,0]=3 7230 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [0,2,0,0,0,0|1,0,0]=3 7231 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [0,2,0,0,0,0|1,0,0]=3 7232 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [0,2,0,0,0,0|1,0,0]=3 7233 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [0,2,0,0,0,0|1,0,0]=3 7234 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,2,0,0,0,0|1,0,0]=3 7235 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [0,2,0,0,0,0|0,0,0]=2 7236 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [0,2,0,0,0,0|0,0,0]=2 7237 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [0,2,0,0,0,0|0,0,0]=2 7238 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [0,2,0,0,0,0|0,0,0]=2 7239 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [0,2,0,0,0,0|0,0,0]=2 7240 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [0,2,0,0,0,0|0,1,0]=3 7241 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [0,2,0,0,0,0|0,1,0]=3 7242 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [0,2,0,0,0,0|1,1,0]=4 7243 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [0,2,0,0,0,0|1,1,0]=4 7244 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,2,0,0,0,0|1,1,0]=4 7245 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,2,0,0,0,0|1,1,0]=4 7246 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [0,2,0,0,0,0|0,1,0]=3 7247 B10R0.71 COCCNCCCCC#N 2230a_100000209980_100000211819 [0,2,0,0,0,0|2,0,0]=4 7248 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,2,0,0,0,0|2,0,0]=4 7249 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,2,0,0,0,0|2,0,0]=4 7250 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,2,0,0,0,0|2,0,0]=4 7251 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,2,0,0,0,0|2,0,0]=4 7252 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,2,0,0,0,0|2,0,0]=4 7253 B10R0.71 COCCNCCOCC#N 2230a_100000209980_200000047693 [0,2,0,0,0,0|1,0,0]=3 7254 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [0,2,0,0,0,0|1,0,0]=3 7255 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [0,2,0,0,0,0|1,0,0]=3 7256 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [0,2,0,0,0,0|1,0,0]=3 7257 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [0,2,0,0,0,0|1,1,0]=4 7258 B10R0.71 COCCNCOCCOC 2230a_100000209980_100000231047 [0,2,0,0,0,0|0,0,0]=2 7259 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,2,0,0,0,0|1,0,0]=3 7260 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,2,0,0,0,0|1,0,0]=3 7261 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,2,0,0,0,0|1,0,0]=3 7262 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,2,0,0,0,0|1,0,0]=3 7263 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,2,0,0,0,0|1,0,0]=3 7264 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,2,0,0,0,0|1,0,0]=3 7265 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,2,0,0,0,0|1,0,0]=3 7266 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,2,0,0,0,0|1,0,0]=3 7267 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,2,0,0,0,0|1,0,0]=3 7268 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,2,0,0,0,0|0,1,0]=3 7269 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,2,0,0,0,0|0,1,0]=3 7270 B10R0.71 COCCOCCCNCF 34a_100000206027_100015361967 [0,2,0,0,0,0|1,0,0]=3 7271 B10R0.71 COCCOCCCSCF 62a_100011216529_100015361967 [0,2,0,0,0,0|0,1,0]=3 7272 B10R0.71 COCCOCCCSCF 62a_100015361967_100011216529 [0,2,0,0,0,0|0,1,0]=3 7273 B10R0.71 COCCOCCNCC#N 2230a_100000745349_100011215382 [0,2,0,0,0,0|1,0,0]=3 7274 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [0,2,0,0,0,0|1,0,0]=3 7275 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [0,2,0,0,0,0|1,0,0]=3 7276 B10R0.71 COCCOCCNCCF 2230a_100000745349_100011217306 [0,2,0,0,0,0|1,0,0]=3 7277 B10R0.71 COCCOCCNCCF 34a_100000724931_100000695917 [0,2,0,0,0,0|1,0,0]=3 7278 B10R0.71 COCCOCCNCCF 34a_100000745349_100011217306 [0,2,0,0,0,0|1,0,0]=3 7279 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [0,2,0,0,0,0|1,0,0]=3 7280 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [0,2,0,0,0,0|1,0,0]=3 7281 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [0,2,0,0,0,0|1,0,0]=3 7282 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [0,2,0,0,0,0|1,0,0]=3 7283 B10R0.71 COCCOCCNCOC 2230a_100000745349_100000766300 [0,2,0,0,0,0|0,0,0]=2 7284 B10R0.71 COCCOCCNCSC 2230a_100000745349_100011218213 [0,2,0,0,0,0|0,1,0]=3 7285 B10R0.71 COCCOCCNCSC 34a_100000745349_100011218213 [0,2,0,0,0,0|0,1,0]=3 7286 B10R0.71 COCCOCCOCC#N 7a_100011215163_100011215382 [0,2,0,0,0,0|0,0,0]=2 7287 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [0,2,0,0,0,0|0,0,0]=2 7288 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [0,2,0,0,0,0|0,0,0]=2 7289 B10R0.71 COCCOCCOCCBr 34a_100000211926_100000695917 [0,2,0,0,0,0|0,0,0]=2 7290 B10R0.71 COCCOCCOCCBr 34a_100000692535_100011201679 [0,2,0,0,0,0|0,0,0]=2 7291 B10R0.71 COCCOCCOCCBr 34a_100010132937_200000210301 [0,2,0,0,0,0|0,0,0]=2 7292 B10R0.71 COCCOCCOCCBr 7a_100000692535_100000233755 [0,2,0,0,0,0|0,0,0]=2 7293 B10R0.71 COCCOCCOCCBr 7a_100010132937_200000210301 [0,2,0,0,0,0|0,0,0]=2 7294 B10R0.71 COCCOCCOCCCl 34a_100000032323_200000210301 [0,2,0,0,0,0|0,0,0]=2 7295 B10R0.71 COCCOCCOCCCl 34a_100011215305_100011201679 [0,2,0,0,0,0|0,0,0]=2 7296 B10R0.71 COCCOCCOCCCl 7a_100000032323_200000210301 [0,2,0,0,0,0|0,0,0]=2 7297 B10R0.71 COCCOCCOCCCl 7a_100011215305_100000233755 [0,2,0,0,0,0|0,0,0]=2 7298 B10R0.71 COCCOCCOCCF 34a_100011215163_100011217306 [0,2,0,0,0,0|0,0,0]=2 7299 B10R0.71 COCCOCCOCCF 34a_200015357709_100011201679 [0,2,0,0,0,0|0,0,0]=2 7300 B10R0.71 COCCOCCOCCF 7a_100011215163_100011217306 [0,2,0,0,0,0|0,0,0]=2 7301 B10R0.71 COCCOCCOCCF 7a_200015357709_100000233755 [0,2,0,0,0,0|0,0,0]=2 7302 B10R0.71 COCCOCCOCCI 34a_100012149058_100011201679 [0,2,0,0,0,0|0,0,0]=2 7303 B10R0.71 COCCOCCOCCI 7a_100012149058_100000233755 [0,2,0,0,0,0|0,0,0]=2 7304 B10R0.71 COCCOCCOCCN 34a_100000210304_100000695917 [0,2,0,0,0,0|0,0,0]=2 7305 B10R0.71 COCCOCCOCCN 34a_100000211614_100011201679 [0,2,0,0,0,0|0,0,0]=2 7306 B10R0.71 COCCOCCOCCN 34a_100011998139_200000210301 [0,2,0,0,0,0|0,0,0]=2 7307 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [0,2,0,0,0,0|0,0,0]=2 7308 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [0,2,0,0,0,0|0,0,0]=2 7309 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [0,2,0,0,0,0|0,0,0]=2 7310 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [0,2,0,0,0,0|0,0,0]=2 7311 B10R0.71 COCCOCCOCSC 34a_100011215163_100011218213 [0,2,0,0,0,0|0,0,0]=2 7312 B10R0.71 COCCOCCSCC#N 62a_100000695917_100011215382 [0,2,0,0,0,0|0,1,0]=3 7313 B10R0.71 COCCOCCSCC#N 62a_100011215382_100000695917 [0,2,0,0,0,0|0,1,0]=3 7314 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [0,2,0,0,0,0|0,1,0]=3 7315 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [0,2,0,0,0,0|0,1,0]=3 7316 B10R0.71 COCCOCCSCCF 62a_100000695917_100011217306 [0,2,0,0,0,0|0,1,0]=3 7317 B10R0.71 COCCOCCSCCF 62a_100011217306_100000695917 [0,2,0,0,0,0|0,1,0]=3 7318 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [0,2,0,0,0,0|0,1,0]=3 7319 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [0,2,0,0,0,0|0,1,0]=3 7320 B10R0.71 COCCOCCSCOC 62a_100000695917_100000766300 [0,2,0,0,0,0|0,0,0]=2 7321 B10R0.71 COCCOCCSCOC 62a_100000766300_100000695917 [0,2,0,0,0,0|0,0,0]=2 7322 B10R0.71 COCCOCCSCSC 62a_100000695917_100011218213 [0,2,0,0,0,0|0,1,0]=3 7323 B10R0.71 COCCOCCSCSC 62a_100011218213_100000695917 [0,2,0,0,0,0|0,1,0]=3 7324 B10R0.71 COCCOCNCCCF 2230a_100015189416_100000231047 [0,2,0,0,0,0|1,0,0]=3 7325 B10R0.71 COCCOCNCCSC 2230a_100020590264_100000231047 [0,2,0,0,0,0|0,1,0]=3 7326 B10R0.71 COCCOCSCCC#N 62a_100000231047_100011215226 [0,2,0,0,0,0|1,0,1]=4 7327 B10R0.71 COCCOCSCCC#N 62a_100011215226_100000231047 [0,2,0,0,0,0|1,0,1]=4 7328 B10R0.71 COCCOCSCCCF 62a_100000231047_100011934791 [0,2,0,0,0,0|1,0,0]=3 7329 B10R0.71 COCCOCSCCCF 62a_100011934791_100000231047 [0,2,0,0,0,0|1,0,0]=3 7330 B10R0.71 COCCOCSCCCO 62a_100000231047_100011215043 [0,2,0,0,0,0|1,0,0]=3 7331 B10R0.71 COCCOCSCCCO 62a_100011215043_100000231047 [0,2,0,0,0,0|1,0,0]=3 7332 B10R0.71 COCCOCSCCOC 62a_100000231047_100000233755 [0,2,0,0,0,0|0,0,0]=2 7333 B10R0.71 COCCOCSCCOC 62a_100000233755_100000231047 [0,2,0,0,0,0|0,0,0]=2 7334 B10R0.71 COCCOCSCCSC 62a_100000212216_100000231047 [0,2,0,0,0,0|0,1,0]=3 7335 B10R0.71 COCCOCSCCSC 62a_100000231047_100000751147 [0,2,0,0,0,0|0,1,0]=3 7336 B10R0.71 COCCOCSCSC#N 62a_100000211825_100000231047 [0,2,0,0,0,0|0,1,1]=4 7337 B10R0.71 COCCOCSCSC#N 62a_100000231047_100000211825 [0,2,0,0,0,0|0,1,1]=4 7338 B10R0.71 COCCSCCCCC#N 62a_100000233755_100000211819 [0,2,0,0,0,0|1,1,0]=4 7339 B10R0.71 COCCSCCCCC#N 62a_100011219923_100000233755 [0,2,0,0,0,0|1,1,0]=4 7340 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,2,0,0,0,0|1,1,0]=4 7341 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,2,0,0,0,0|1,1,0]=4 7342 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,2,0,0,0,0|1,1,0]=4 7343 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,2,0,0,0,0|1,1,0]=4 7344 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,2,0,0,0,0|1,1,0]=4 7345 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,2,0,0,0,0|1,1,0]=4 7346 B10R0.71 COCCSCCOCC#N 62a_100000233755_200000047693 [0,2,0,0,0,0|0,1,0]=3 7347 B10R0.71 COCCSCCOCC#N 62a_200000047693_100000233755 [0,2,0,0,0,0|0,1,0]=3 7348 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [0,2,0,0,0,0|0,1,0]=3 7349 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [0,2,0,0,0,0|0,1,0]=3 7350 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,2,0,0,0,0|2,0,0]=4 7351 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [0,2,0,0,0,0|2,0,0]=4 7352 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [0,2,0,0,0,0|2,0,0]=4 7353 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,2,0,0,0,0|2,0,0]=4 7354 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,2,0,0,0,0|2,0,0]=4 7355 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [0,2,0,0,0,0|0,2,0]=4 7356 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [0,2,0,0,0,0|0,2,0]=4 7357 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [0,2,0,0,0,0|1,1,0]=4 7358 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [0,2,0,0,0,0|1,1,0]=4 7359 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,2,0,0,0,0|1,1,0]=4 7360 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,2,0,0,0,0|1,1,0]=4 7361 B10R0.71 CSCCNCCOCC#N 2230a_100020590264_200000047693 [0,2,0,0,0,0|1,1,0]=4 7362 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [0,2,0,0,0,0|1,1,0]=4 7363 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [0,2,0,0,0,0|1,1,0]=4 7364 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [0,2,0,0,0,0|1,1,0]=4 7365 B10R0.71 CSCCOCCCCC#N 7a_100000230434_100000211819 [0,2,0,0,0,0|1,1,0]=4 7366 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,2,0,0,0,0|1,1,0]=4 7367 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,2,0,0,0,0|1,1,0]=4 7368 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,2,0,0,0,0|1,1,0]=4 7369 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,2,0,0,0,0|1,1,0]=4 7370 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,2,0,0,0,0|1,1,0]=4 7371 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,2,0,0,0,0|1,1,0]=4 7372 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,2,0,0,0,0|1,1,0]=4 7373 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,2,0,0,0,0|1,1,0]=4 7374 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,2,0,0,0,0|1,1,0]=4 7375 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,2,0,0,0,0|1,1,0]=4 7376 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,2,0,0,0,0|1,1,0]=4 7377 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,2,0,0,0,0|1,1,0]=4 7378 B10R0.71 CSCCOCCOCC#N 7a_100000230434_200000047693 [0,2,0,0,0,0|0,1,0]=3 7379 B10R0.71 CSCCOCCOCCBr 34a_100000692535_100000212216 [0,2,0,0,0,0|0,1,0]=3 7380 B10R0.71 CSCCOCCOCCBr 7a_100000692535_100000212216 [0,2,0,0,0,0|0,1,0]=3 7381 B10R0.71 CSCCOCCOCCCl 34a_100011215305_100000212216 [0,2,0,0,0,0|0,1,0]=3 7382 B10R0.71 CSCCOCCOCCCl 7a_100011215305_100000212216 [0,2,0,0,0,0|0,1,0]=3 7383 B10R0.71 CSCCOCCOCCF 34a_200015357709_100000212216 [0,2,0,0,0,0|0,1,0]=3 7384 B10R0.71 CSCCOCCOCCF 7a_200015357709_100000212216 [0,2,0,0,0,0|0,1,0]=3 7385 B10R0.71 CSCCOCCOCCI 34a_100012149058_100000212216 [0,2,0,0,0,0|0,1,0]=3 7386 B10R0.71 CSCCOCCOCCI 7a_100012149058_100000212216 [0,2,0,0,0,0|0,1,0]=3 7387 B10R0.71 CSCCOCCOCCN 34a_100000211614_100000212216 [0,2,0,0,0,0|0,1,0]=3 7388 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [0,2,0,0,0,0|0,1,0]=3 7389 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [0,2,0,0,0,0|0,1,0]=3 7390 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [0,2,0,0,0,0|0,1,0]=3 7391 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [0,2,0,0,0,0|0,1,0]=3 7392 B10R0.71 CSCCSCCOCC#N 62a_100000212216_200000047693 [0,2,0,0,0,0|0,2,0]=4 7393 B10R0.71 CSCCSCCOCC#N 62a_200000047693_100000751147 [0,2,0,0,0,0|0,2,0]=4 7394 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [0,2,0,0,0,0|0,2,0]=4 7395 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [0,2,0,0,0,0|0,2,0]=4 7396 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [0,2,0,0,0,0|2,0,0]=4 7397 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [0,2,0,0,0,0|2,0,0]=4 7398 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [0,2,0,0,0,0|2,0,0]=4 7399 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [0,2,0,0,0,0|2,0,0]=4 7400 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [0,2,0,0,0,0|2,0,0]=4 7401 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [0,2,0,0,0,0|2,0,0]=4 7402 B10R0.71 FCCCOCCOCCBr 34a_100000692535_100011934791 [0,2,0,0,0,0|2,0,0]=4 7403 B10R0.71 FCCCOCCOCCBr 7a_100000692535_100011934791 [0,2,0,0,0,0|2,0,0]=4 7404 B10R0.71 FCCCOCCOCCCl 34a_100011215305_100011934791 [0,2,0,0,0,0|2,0,0]=4 7405 B10R0.71 FCCCOCCOCCCl 7a_100011215305_100011934791 [0,2,0,0,0,0|2,0,0]=4 7406 B10R0.71 FCCCOCCOCCF 34a_200015357709_100011934791 [0,2,0,0,0,0|2,0,0]=4 7407 B10R0.71 FCCCOCCOCCF 7a_200015357709_100011934791 [0,2,0,0,0,0|2,0,0]=4 7408 B10R0.71 FCCCOCCOCCI 34a_100012149058_100011934791 [0,2,0,0,0,0|2,0,0]=4 7409 B10R0.71 FCCCOCCOCCI 7a_100012149058_100011934791 [0,2,0,0,0,0|2,0,0]=4 7410 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [0,2,0,0,0,0|2,0,0]=4 7411 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [0,2,0,0,0,0|2,0,0]=4 7412 B10R0.71 N#CCCOCCOCCBr 7a_100000692535_100000184422 [0,2,0,0,0,0|2,0,0]=4 7413 B10R0.71 N#CCCOCCOCCCl 7a_100011215305_100000184422 [0,2,0,0,0,0|2,0,0]=4 7414 B10R0.71 N#CCCOCCOCCF 7a_200015357709_100000184422 [0,2,0,0,0,0|2,0,0]=4 7415 B10R0.71 N#CCCOCCOCCI 7a_100012149058_100000184422 [0,2,0,0,0,0|2,0,0]=4 7416 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [0,2,0,0,0,0|2,0,0]=4 7417 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [0,2,0,0,0,0|2,0,0]=4 7418 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,2,0,0,0,0|2,0,0]=4 7419 B10R0.71 NCCCOCCCOCF 34a_100011310245_100015361967 [0,2,0,0,0,0|2,0,0]=4 7420 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [0,2,0,0,0,0|2,0,0]=4 7421 B10R0.71 NCCOCCOCCCF 34a_100000211614_100011934791 [0,2,0,0,0,0|2,0,0]=4 7422 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [0,2,0,0,0,0|2,0,0]=4 7423 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,2,0,0,0,0|2,0,0]=4 7424 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,2,0,0,0,0|2,0,0]=4 7425 B10R0.71 NOCCOCCOCCO 34a_100000700252_100000692535 [0,2,0,0,0,0|1,0,0]=3 7426 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,2,0,0,0,0|2,0,0]=4 7427 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,2,0,0,0,0|2,0,0]=4 7428 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,2,0,0,0,0|2,0,0]=4 7429 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,2,0,0,0,0|2,0,0]=4 7430 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,2,0,0,0,0|2,0,0]=4 7431 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,2,0,0,0,0|2,0,0]=4 7432 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [0,2,0,0,0,0|2,0,0]=4 7433 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [0,2,0,0,0,0|2,0,0]=4 7434 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [0,2,0,0,0,0|2,0,0]=4 7435 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [0,2,0,0,0,0|2,0,0]=4 7436 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [0,2,0,0,0,0|2,0,0]=4 7437 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [0,2,0,0,0,0|2,0,0]=4 7438 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [0,2,0,0,0,0|2,0,0]=4 7439 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [0,2,0,0,0,0|2,0,0]=4 7440 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [0,2,0,0,0,0|2,0,0]=4 7441 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [0,2,0,0,0,0|2,0,0]=4 7442 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [0,2,0,0,0,0|2,0,0]=4 7443 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [0,2,0,0,0,0|1,0,0]=3 7444 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [0,2,0,0,0,0|1,0,0]=3 7445 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,2,0,0,0,0|2,0,0]=4 7446 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,2,0,0,0,0|2,0,0]=4 7447 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,2,0,0,0,0|2,0,0]=4 7448 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,2,0,0,0,0|2,0,0]=4 7449 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,2,0,0,0,0|2,0,0]=4 7450 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,2,0,0,0,0|2,0,0]=4 7451 B10R0.71 [13CH3]OCCOCCOCCBr 34a_100010132937_200025704644 [0,2,0,0,0,0|0,0,0]=2 7452 B10R0.71 [13CH3]OCCOCCOCCBr 7a_100010132937_200025704644 [0,2,0,0,0,0|0,0,0]=2 7453 B10R0.71 [13CH3]OCCOCCOCCCl 34a_100000032323_200025704644 [0,2,0,0,0,0|0,0,0]=2 7454 B10R0.71 [13CH3]OCCOCCOCCCl 7a_100000032323_200025704644 [0,2,0,0,0,0|0,0,0]=2 7455 B10R0.71 [13CH3]OCCOCCOCCN 34a_100011998139_200025704644 [0,2,0,0,0,0|0,0,0]=2 7456 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [0,2,0,0,0,0|0,1,0]=3 7457 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [0,2,0,0,0,0|0,1,0]=3 7458 B10R0.41 C#CCCOCC(CC)OC 34a_100011934954_100000688953 [0,2,0,0,0,0|1,0,1]=4 7459 B10R0.41 C#CCCOCC(CC)OC 7a_100011934954_100000688953 [0,2,0,0,0,0|1,0,1]=4 7460 B10R0.41 C#CCCOCC(OC)OC 34a_100011215631_100000211822 [0,2,0,0,0,0|1,0,1]=4 7461 B10R0.41 C#CCCOCC(OC)OC 34a_100011216393_100000688953 [0,2,0,0,0,0|1,0,1]=4 7462 B10R0.41 C/C=C/COCC(CC)OC 34a_100011934954_100102629194 [0,2,0,0,0,0|1,0,1]=4 7463 B10R0.41 C/C=C/COCC(CC)OC 7a_100011934954_100102629194 [0,2,0,0,0,0|1,0,1]=4 7464 B10R0.41 C/C=C/COCC(OC)OC 34a_100011216393_100102629194 [0,2,0,0,0,0|1,0,1]=4 7465 B10R0.41 C/C=C/COCC(OC)OC 34a_100016270725_100000211822 [0,2,0,0,0,0|1,0,1]=4 7466 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|2,0,0]=4 7467 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|2,0,0]=4 7468 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|2,0,0]=4 7469 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|2,0,0]=4 7470 B10R0.41 C=CCCOCC(CC)OC 34a_100011934954_100000754431 [0,2,0,0,0,0|1,0,1]=4 7471 B10R0.41 C=CCCOCC(CC)OC 7a_100011934954_100000754431 [0,2,0,0,0,0|1,0,1]=4 7472 B10R0.41 C=CCCOCC(OC)OC 34a_100011205117_100000211822 [0,2,0,0,0,0|1,0,1]=4 7473 B10R0.41 C=CCCOCC(OC)OC 34a_100011216393_100000754431 [0,2,0,0,0,0|1,0,1]=4 7474 B10R0.41 CC#CCOCC(CC)OC 34a_100011934954_100000748600 [0,2,0,0,0,0|1,0,1]=4 7475 B10R0.41 CC#CCOCC(CC)OC 7a_100011934954_100000748600 [0,2,0,0,0,0|1,0,1]=4 7476 B10R0.41 CC#CCOCC(OC)OC 34a_100000761923_100000211822 [0,2,0,0,0,0|1,0,1]=4 7477 B10R0.41 CC#CCOCC(OC)OC 34a_100011216393_100000748600 [0,2,0,0,0,0|1,0,1]=4 7478 B10R0.41 CC=CCOCC(CC)OC 34a_100011934954_100000070051 [0,2,0,0,0,0|1,0,1]=4 7479 B10R0.41 CC=CCOCC(CC)OC 7a_100011934954_100000070051 [0,2,0,0,0,0|1,0,1]=4 7480 B10R0.41 CC=CCOCC(OC)OC 34a_100011216393_100000070051 [0,2,0,0,0,0|1,0,1]=4 7481 B10R0.41 CCC(CC)CNCCOC 2230a_100000209980_100011215472 [0,2,0,0,0,0|2,0,0]=4 7482 B10R0.41 CCC(CC)CNCCOC 2230a_100102946423_100011201679 [0,2,0,0,0,0|2,0,0]=4 7483 B10R0.41 CCC(CC)CNCCOC 269862a_100000209980_100000211137 [0,2,0,0,0,0|2,0,0]=4 7484 B10R0.41 CCC(CC)CNCCOC 270004a_100000209980_100000211137 [0,2,0,0,0,0|2,0,0]=4 7485 B10R0.41 CCC(CC)COCCOC 34a_100000210237_100011215472 [0,2,0,0,0,0|1,0,0]=3 7486 B10R0.41 CCC(CC)COCCOC 7a_100000703878_100000233755 [0,2,0,0,0,0|1,0,0]=3 7487 B10R0.41 CCC(CC)COCCON 34a_100000700252_100011215472 [0,2,0,0,0,0|2,0,0]=4 7488 B10R0.41 CCC(CC)COCCSC 34a_100000230434_100011215472 [0,2,0,0,0,0|1,1,0]=4 7489 B10R0.41 CCC(CC)COCCSC 7a_100000230434_100011215472 [0,2,0,0,0,0|1,1,0]=4 7490 B10R0.41 CCC(CC)COCCSC 7a_100000703878_100000212216 [0,2,0,0,0,0|1,1,0]=4 7491 B10R0.41 CCC(CC)CSCCOC 62a_100000233755_100011215472 [0,2,0,0,0,0|1,1,0]=4 7492 B10R0.41 CCC(CC)CSCCOC 62a_100011215472_100000233755 [0,2,0,0,0,0|1,1,0]=4 7493 B10R0.41 CCC(COCCC#N)OC 7a_100011934954_100000184422 [0,2,0,0,0,0|2,0,0]=4 7494 B10R0.41 CCC(COCCCF)OC 34a_100011934954_100011934791 [0,2,0,0,0,0|2,0,0]=4 7495 B10R0.41 CCC(COCCCF)OC 7a_100011934954_100011934791 [0,2,0,0,0,0|2,0,0]=4 7496 B10R0.41 CCC(COCCCO)OC 34a_100011934954_100000230001 [0,2,0,0,0,0|2,0,0]=4 7497 B10R0.41 CCC(COCCCO)OC 7a_100011934954_100011215043 [0,2,0,0,0,0|2,0,0]=4 7498 B10R0.41 CCC(COCCOC)OC 34a_100011934954_100011201679 [0,2,0,0,0,0|0,0,0]=2 7499 B10R0.41 CCC(COCCOC)OC 7a_100011934954_100000233755 [0,2,0,0,0,0|0,0,0]=2 7500 B10R0.41 CCC(COCCSC)OC 34a_100011934954_100000212216 [0,2,0,0,0,0|0,1,0]=3 7501 B10R0.41 CCC(COCCSC)OC 7a_100011934954_100000212216 [0,2,0,0,0,0|0,1,0]=3 7502 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,2,0,0,0,0|2,0,0]=4 7503 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,2,0,0,0,0|2,0,0]=4 7504 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,2,0,0,0,0|2,0,0]=4 7505 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,2,0,0,0,0|2,0,0]=4 7506 B10R0.41 CCCCNCC(OC)OC 2230a_100000102301_100000751394 [0,2,0,0,0,0|2,0,0]=4 7507 B10R0.41 CCCCNCC(OC)OC 270004a_100000102301_100000752162 [0,2,0,0,0,0|2,0,0]=4 7508 B10R0.41 CCCCNCC(OC)OC 7a_106832991798_100000751394 [0,2,0,0,0,0|2,0,0]=4 7509 B10R0.41 CCCCOCC(CC)CC 34a_100000210227_100011215472 [0,2,0,0,0,0|2,0,0]=4 7510 B10R0.41 CCCCOCC(CC)CC 7a_100000210227_100011215472 [0,2,0,0,0,0|2,0,0]=4 7511 B10R0.41 CCCCOCC(CC)CC 7a_100000703878_100000210211 [0,2,0,0,0,0|2,0,0]=4 7512 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [0,2,0,0,0,0|1,0,0]=3 7513 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [0,2,0,0,0,0|1,0,0]=3 7514 B10R0.41 CCCCOCC(OC)OC 34a_100000210227_100000211822 [0,2,0,0,0,0|1,0,0]=3 7515 B10R0.41 CCCCOCC(OC)OC 34a_100011216393_100000210210 [0,2,0,0,0,0|1,0,0]=3 7516 B10R0.41 CCCCOCC(OC)OC 7a_100000210227_100000751394 [0,2,0,0,0,0|1,0,0]=3 7517 B10R0.41 CCCCSCC(OC)OC 62a_100000210211_100000751394 [0,2,0,0,0,0|1,1,0]=4 7518 B10R0.41 CCCCSCC(OC)OC 62a_100000751394_100000210210 [0,2,0,0,0,0|1,1,0]=4 7519 B10R0.41 CCN(CC)COCCOC 2230a_100000724800_100000231047 [0,2,0,0,0,0|2,0,0]=4 7520 B10R0.41 CCN(CC)COCCOC 269956a_100000042499_100000231047 [0,2,0,0,0,0|2,0,0]=4 7521 B10R0.41 CCN(CC)COCCOC 269982a_100000724800_100000231047 [0,2,0,0,0,0|2,0,0]=4 7522 B10R0.41 CCN(CC)COCCOC 7a_200015374951_100000233755 [0,2,0,0,0,0|2,0,0]=4 7523 B10R0.41 COC(CNCCSC)OC 2230a_100020590264_100000751394 [0,2,0,0,0,0|1,1,0]=4 7524 B10R0.41 COC(CNCCSC)OC 270004a_100020590264_100000752162 [0,2,0,0,0,0|1,1,0]=4 7525 B10R0.41 COC(COCCCBr)OC 34a_100011217188_100000211822 [0,2,0,0,0,0|2,0,0]=4 7526 B10R0.41 COC(COCCCCl)OC 34a_100000230001_100000211822 [0,2,0,0,0,0|2,0,0]=4 7527 B10R0.41 COC(COCCCF)OC 34a_100000759539_100000211822 [0,2,0,0,0,0|2,0,0]=4 7528 B10R0.41 COC(COCCCF)OC 34a_100011216393_100011934791 [0,2,0,0,0,0|2,0,0]=4 7529 B10R0.41 COC(COCCCN)OC 34a_100000182051_100000211822 [0,2,0,0,0,0|2,0,0]=4 7530 B10R0.41 COC(COCCCO)OC 34a_100011216393_100000230001 [0,2,0,0,0,0|2,0,0]=4 7531 B10R0.41 COC(COCCON)OC 34a_100000700252_100000211822 [0,2,0,0,0,0|1,0,0]=3 7532 B10R0.41 COC(COCCSC)OC 34a_100000230434_100000211822 [0,2,0,0,0,0|0,1,0]=3 7533 B10R0.41 COC(COCCSC)OC 34a_100011216393_100000212216 [0,2,0,0,0,0|0,1,0]=3 7534 B10R0.41 COC(COCCSC)OC 7a_100000230434_100000751394 [0,2,0,0,0,0|0,1,0]=3 7535 B10R0.41 COC(CSCCSC)OC 62a_100000212216_100000751394 [0,2,0,0,0,0|0,2,0]=4 7536 B10R0.41 COC(CSCCSC)OC 62a_100000751394_100000751147 [0,2,0,0,0,0|0,2,0]=4 7537 B10R0.41 COCCNCC(OC)OC 2230a_100000209980_100000751394 [0,2,0,0,0,0|1,0,0]=3 7538 B10R0.41 COCCNCC(OC)OC 270004a_100000209980_100000752162 [0,2,0,0,0,0|1,0,0]=3 7539 B10R0.41 COCCOCC(OC)OC 34a_100000210237_100000211822 [0,2,0,0,0,0|0,0,0]=2 7540 B10R0.41 COCCOCC(OC)OC 34a_100011216393_100011201679 [0,2,0,0,0,0|0,0,0]=2 7541 B10R0.41 COCCSCC(OC)OC 62a_100000233755_100000751394 [0,2,0,0,0,0|0,1,0]=3 7542 B10R0.41 COCCSCC(OC)OC 62a_100000751394_100000233755 [0,2,0,0,0,0|0,1,0]=3 7543 B10R0.41 COCSCCC(OC)OC 62a_100000139399_100000766300 [0,2,0,0,0,0|2,0,0]=4 7544 B10R0.41 COCSCCC(OC)OC 62a_100000766300_100000139399 [0,2,0,0,0,0|2,0,0]=4 7545 B10R0.59 C=CC(O)COCC(C)OC 34a_100000690652_100000730141 [0,2,0,0,0,0|1,0,1]=4 7546 B10R0.59 CCC(C)CNC[C@@H](C)OC 2230a_100020591295_100000748023 [0,2,0,0,0,0|2,0,0]=4 7547 B10R0.59 CCC(C)CNC[C@@H](C)OC 270004a_100020591295_100000243153 [0,2,0,0,0,0|2,0,0]=4 7548 B10R0.59 CCC(C)COCC(C)OC 34a_100000690652_100000748023 [0,2,0,0,0,0|1,0,0]=3 7549 B10R0.59 CCC(C)COC[C@@H](C)CC 7a_100009816381_100000748023 [0,2,0,0,0,0|2,0,0]=4 7550 B10R0.59 CCC(O)CNC[C@@H](C)OC 2230a_100020591295_100011218378 [0,2,0,0,0,0|2,0,0]=4 7551 B10R0.59 CCC(O)COCC(C)OC 34a_100000690652_100011218378 [0,2,0,0,0,0|1,0,0]=3 7552 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [0,2,0,0,0,0|2,0,0]=4 7553 B10R0.59 CC[C@H](C)CNC[C@@H](C)OC 2230a_100020591295_100009816398 [0,2,0,0,0,0|2,0,0]=4 7554 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|1,0,1]=4 7555 B10R0.59 CC[C@H](C)COCC(C)OC 34a_100000690652_100009816398 [0,2,0,0,0,0|1,0,0]=3 7556 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 7a_100009816381_100009816398 [0,2,0,0,0,0|2,0,0]=4 7557 B10R0.59 CNC(=O)COCC(C)OC 34a_100000690652_100000183359 [0,2,0,0,0,0|1,0,1]=4 7558 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,2,0,0,0,0|1,0,1]=4 7559 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,2,0,0,0,0|0,0,1]=3 7560 B10R0.59 COC(C)COCC(O)CO 34a_100000690652_100011219619 [0,2,0,0,0,0|2,0,0]=4 7561 B10R0.59 COC(C)COC[C@@H](C)CO 34a_100000690652_100000059175 [0,2,0,0,0,0|2,0,0]=4 7562 B10R0.59 COC(C)COC[C@@H](O)CF 34a_100000690652_100015614560 [0,2,0,0,0,0|2,0,0]=4 7563 B10R0.59 COC(C)COC[C@@H](O)CO 34a_100000690652_100009815848 [0,2,0,0,0,0|2,0,0]=4 7564 B10R0.62 C#CCCOCC(C)(C)OC 34a_100011215631_100000701081 [0,2,0,0,0,0|1,0,1]=4 7565 B10R0.62 C/C=C/COCC(C)(C)OC 34a_100016270725_100000701081 [0,2,0,0,0,0|1,0,1]=4 7566 B10R0.62 C=CCCOCC(C)(C)OC 34a_100011205117_100000701081 [0,2,0,0,0,0|1,0,1]=4 7567 B10R0.62 CC#CCOCC(C)(C)OC 34a_100000761923_100000701081 [0,2,0,0,0,0|1,0,1]=4 7568 B10R0.62 CCC(C)(C)COCCOC 7a_100000765029_100000233755 [0,2,0,0,0,0|1,0,0]=3 7569 B10R0.62 CCC(C)(C)COCCSC 7a_100000765029_100000212216 [0,2,0,0,0,0|1,1,0]=4 7570 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [0,2,0,0,0,0|2,0,0]=4 7571 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [0,2,0,0,0,0|2,0,0]=4 7572 B10R0.62 CCCCNCC(C)(C)OC 2230a_100000763424_100000210211 [0,2,0,0,0,0|2,0,0]=4 7573 B10R0.62 CCCCOCC(C)(C)CC 7a_100000765029_100000210211 [0,2,0,0,0,0|2,0,0]=4 7574 B10R0.62 CCCCOCC(C)(C)OC 34a_100000210227_100000701081 [0,2,0,0,0,0|1,0,0]=3 7575 B10R0.62 CCCCSCC(C)(C)OC 62a_100000210211_100000701081 [0,2,0,0,0,0|1,1,0]=4 7576 B10R0.62 CCCCSCC(C)(C)OC 62a_100000701081_100000210210 [0,2,0,0,0,0|1,1,0]=4 7577 B10R0.62 COC(C)(C)CNCCSC 2230a_100000763424_100000751147 [0,2,0,0,0,0|1,1,0]=4 7578 B10R0.62 COC(C)(C)COCCCBr 34a_100011217188_100000701081 [0,2,0,0,0,0|2,0,0]=4 7579 B10R0.62 COC(C)(C)COCCCCl 34a_100000230001_100000701081 [0,2,0,0,0,0|2,0,0]=4 7580 B10R0.62 COC(C)(C)COCCCF 34a_100000759539_100000701081 [0,2,0,0,0,0|2,0,0]=4 7581 B10R0.62 COC(C)(C)COCCCN 34a_100000182051_100000701081 [0,2,0,0,0,0|2,0,0]=4 7582 B10R0.62 COC(C)(C)COCCON 34a_100000700252_100000701081 [0,2,0,0,0,0|1,0,0]=3 7583 B10R0.62 COC(C)(C)COCCSC 34a_100000230434_100000701081 [0,2,0,0,0,0|0,1,0]=3 7584 B10R0.62 COC(C)(C)CSCCSC 62a_100000212216_100000701081 [0,2,0,0,0,0|0,2,0]=4 7585 B10R0.62 COC(C)(C)CSCCSC 62a_100000701081_100000751147 [0,2,0,0,0,0|0,2,0]=4 7586 B10R0.62 COCCNCC(C)(C)OC 2230a_100000763424_100011201679 [0,2,0,0,0,0|1,0,0]=3 7587 B10R0.62 COCCNCC(C)(C)SC 270004a_100000209980_100009845794 [0,2,0,0,0,0|1,1,0]=4 7588 B10R0.62 COCCOCC(C)(C)CCl 7a_100011217199_100000233755 [0,2,0,0,0,0|2,0,0]=4 7589 B10R0.62 COCCOCC(C)(C)CO 34a_100000210237_100009813988 [0,2,0,0,0,0|2,0,0]=4 7590 B10R0.62 COCCOCC(C)(C)OC 34a_100000210237_100000701081 [0,2,0,0,0,0|0,0,0]=2 7591 B10R0.62 COCCOCC(C)(C)OC 7a_100000067319_200000210301 [0,2,0,0,0,0|0,0,0]=2 7592 B10R0.62 COCCOCC(C)(C)O[13CH3] 7a_100000067319_200025704644 [0,2,0,0,0,0|0,0,0]=2 7593 B10R0.62 COCCOCC(F)(F)CN 34a_100000703232_100011201679 [0,2,0,0,0,0|2,0,0]=4 7594 B10R0.62 COCCSCC(C)(C)OC 62a_100000233755_100000701081 [0,2,0,0,0,0|0,1,0]=3 7595 B10R0.62 COCCSCC(C)(C)OC 62a_100000701081_100000233755 [0,2,0,0,0,0|0,1,0]=3 7596 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 7597 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,0,0,1,0,0|2,0,0]=4 7598 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 7599 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|2,0,0]=4 7600 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|2,0,0]=4 7601 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|2,0,0]=4 7602 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|2,0,0]=4 7603 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|2,0,0]=4 7604 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,1,0,0|1,0,0]=3 7605 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,1,0,0|1,0,0]=3 7606 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,1,0,0|1,0,0]=3 7607 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,1,0,0|1,0,0]=3 7608 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,1,0,0|1,0,0]=3 7609 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,1,0,0|1,1,0]=4 7610 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|1,0,1]=4 7611 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,0,1]=4 7612 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,0]=3 7613 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,0]=3 7614 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,0]=3 7615 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|1,0,0]=3 7616 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|0,0,0]=2 7617 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|0,0,0]=2 7618 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|0,1,0]=3 7619 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,1,0,0|2,0,0]=4 7620 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 7621 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,1,0,0|2,0,0]=4 7622 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 7623 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,1,0]=4 7624 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,1,0]=4 7625 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|0,1,0]=3 7626 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|2,0,0]=4 7627 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|2,0,0]=4 7628 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,1,0,0|1,0,0]=3 7629 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,1,0,0|1,0,0]=3 7630 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|1,0,1]=4 7631 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,0,1]=4 7632 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,0]=3 7633 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,0]=3 7634 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|1,0,0]=3 7635 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|0,0,0]=2 7636 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|0,1,0]=3 7637 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,1,0,0|2,0,0]=4 7638 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 7639 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 7640 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,1,0]=4 7641 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,1,0]=4 7642 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|0,1,0]=3 7643 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 7644 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 7645 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 7646 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 7647 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 7648 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 7649 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [1,0,0,1,0,0|1,0,0]=3 7650 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [1,0,0,1,0,0|1,0,0]=3 7651 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [1,0,0,1,0,0|1,0,0]=3 7652 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [1,0,0,1,0,0|1,0,0]=3 7653 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [1,0,0,1,0,0|1,0,0]=3 7654 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [1,0,0,1,0,0|1,0,0]=3 7655 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,1,0,0|2,0,0]=4 7656 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,1,0,0|2,0,0]=4 7657 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [1,0,0,1,0,0|1,1,0]=4 7658 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [1,0,0,1,0,0|1,1,0]=4 7659 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [1,0,0,1,0,0|2,0,0]=4 7660 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [1,0,0,1,0,0|2,0,0]=4 7661 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [1,0,0,1,0,0|2,0,0]=4 7662 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 7663 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 7664 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|2,0,0]=4 7665 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|2,0,0]=4 7666 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|2,0,0]=4 7667 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [1,0,0,1,0,0|2,0,0]=4 7668 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|2,0,0]=4 7669 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|2,0,0]=4 7670 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|2,0,0]=4 7671 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|2,0,0]=4 7672 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|2,0,0]=4 7673 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|2,0,0]=4 7674 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,1,0,0|1,0,0]=3 7675 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,1,0,0|1,0,0]=3 7676 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|1,0,0]=3 7677 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|1,0,0]=3 7678 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|1,0,0]=3 7679 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|1,0,0]=3 7680 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|1,0,0]=3 7681 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [1,0,0,1,0,0|1,0,0]=3 7682 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [1,0,0,1,0,0|1,0,0]=3 7683 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [1,0,0,1,0,0|1,0,0]=3 7684 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [1,0,0,1,0,0|1,0,0]=3 7685 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [1,0,0,1,0,0|1,0,0]=3 7686 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,1,0,0|1,0,0]=3 7687 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,1,0,0|1,0,0]=3 7688 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,1,0,0|1,0,1]=4 7689 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|1,0,0]=3 7690 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|1,0,0]=3 7691 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|1,0,0]=3 7692 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|0,0,0]=2 7693 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|0,0,0]=2 7694 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,0,0,1,0,0|1,0,0]=3 7695 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|0,0,0]=2 7696 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|0,0,0]=2 7697 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [1,0,0,1,0,0|0,0,0]=2 7698 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [1,0,0,1,0,0|0,0,0]=2 7699 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [1,0,0,1,0,0|0,0,0]=2 7700 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [1,0,0,1,0,0|2,0,0]=4 7701 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [1,0,0,1,0,0|2,0,0]=4 7702 B8R1.8 COCN1CCSC1 2230a_100011215254_100000766300 [1,0,0,1,0,0|1,1,0]=4 7703 B8R1.8 COCN1CCSC1 269982a_100011215254_100000766300 [1,0,0,1,0,0|1,1,0]=4 7704 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,1,0,0|1,0,0]=3 7705 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,1,0]=4 7706 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,1,0]=4 7707 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|0,1,0]=3 7708 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|0,1,0]=3 7709 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|0,1,0]=3 7710 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|0,1,0]=3 7711 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [1,0,0,1,0,0|0,1,0]=3 7712 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [1,0,0,1,0,0|0,1,0]=3 7713 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [1,0,0,1,0,0|2,0,0]=4 7714 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [1,0,0,1,0,0|2,0,0]=4 7715 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [1,0,0,1,0,0|1,1,0]=4 7716 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [1,0,0,1,0,0|1,1,0]=4 7717 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|2,0,0]=4 7718 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|2,0,0]=4 7719 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|1,0,0]=3 7720 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|1,0,0]=3 7721 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [1,0,0,1,0,0|1,0,0]=3 7722 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [1,0,0,1,0,0|1,0,0]=3 7723 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,1,0,0|1,0,0]=3 7724 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,1,0,0|1,0,0]=3 7725 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,1,0,0|1,0,1]=4 7726 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|1,0,0]=3 7727 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|1,0,0]=3 7728 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|0,0,0]=2 7729 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|0,0,0]=2 7730 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,0,0,1,0,0|1,0,0]=3 7731 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|0,0,0]=2 7732 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [1,0,0,1,0,0|0,0,0]=2 7733 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [1,0,0,1,0,0|0,0,0]=2 7734 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,1,0,0|1,0,0]=3 7735 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,1,0]=4 7736 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,1,0]=4 7737 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|0,1,0]=3 7738 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|0,1,0]=3 7739 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|0,1,0]=3 7740 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|0,1,0]=3 7741 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [1,0,0,1,0,0|0,1,0]=3 7742 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [1,0,0,1,0,0|0,1,0]=3 7743 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [1,0,0,1,0,0|2,0,0]=4 7744 B8R1.10 BrCCOC1COC1 34a_100000211926_100009818527 [1,0,0,1,0,0|1,0,0]=3 7745 B8R1.10 C#CCOC1COC1 34a_100000210247_100009818527 [1,0,0,1,0,0|0,0,2]=4 7746 B8R1.10 C=CCOC1COC1 34a_200000210373_100009818527 [1,0,0,1,0,0|0,0,2]=4 7747 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [1,0,0,1,0,0|2,0,0]=4 7748 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [1,0,0,1,0,0|2,0,0]=4 7749 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [1,0,0,1,0,0|2,0,0]=4 7750 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [1,0,0,1,0,0|2,0,0]=4 7751 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [1,0,0,1,0,0|1,0,0]=3 7752 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [1,0,0,1,0,0|1,0,0]=3 7753 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [1,0,0,1,0,0|1,0,0]=3 7754 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [1,0,0,1,0,0|0,0,0]=2 7755 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [1,0,0,1,0,0|0,1,0]=3 7756 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [1,0,0,1,0,0|1,1,0]=4 7757 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [1,0,0,1,0,0|0,1,0]=3 7758 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 7759 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [1,0,0,1,0,0|2,0,0]=4 7760 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 7761 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|2,0,0]=4 7762 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|2,0,0]=4 7763 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [1,0,0,1,0,0|2,0,0]=4 7764 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [1,0,0,1,0,0|2,0,0]=4 7765 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [1,0,0,1,0,0|0,0,0]=2 7766 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [1,0,0,1,0,0|1,0,0]=3 7767 B8R1.10 COCNC1CCC1 2230a_100000749019_100000766300 [1,0,0,1,0,0|2,0,0]=4 7768 B8R1.10 COCNC1COC1 2230a_100016991112_100000766300 [1,0,0,1,0,0|1,0,0]=3 7769 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [1,0,0,1,0,0|1,1,0]=4 7770 B8R1.10 COCSC1COC1 62a_100000766300_100009818527 [1,0,0,1,0,0|0,1,0]=3 7771 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [1,0,0,1,0,0|1,1,0]=4 7772 B8R1.10 CSCNC1COC1 2230a_100016991112_100011218213 [1,0,0,1,0,0|1,1,0]=4 7773 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [1,0,0,1,0,0|1,1,0]=4 7774 B8R1.10 CSCSC1COC1 62a_100011218213_100009818527 [1,0,0,1,0,0|0,2,0]=4 7775 B8R1.10 FCCNC1COC1 2230a_100016991112_100011217306 [1,0,0,1,0,0|2,0,0]=4 7776 B8R1.10 FCCNC1COC1 34a_100000724931_100009818527 [1,0,0,1,0,0|2,0,0]=4 7777 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [1,0,0,1,0,0|2,0,0]=4 7778 B8R1.10 FCCOC1CSC1 7a_100000072292_100011217306 [1,0,0,1,0,0|1,1,0]=4 7779 B8R1.10 FCCSC1COC1 62a_100011217306_100009818527 [1,0,0,1,0,0|1,1,0]=4 7780 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [1,0,0,1,0,0|2,0,0]=4 7781 B8R1.10 NCCOC1COC1 34a_100000210304_100009818527 [1,0,0,1,0,0|1,0,0]=3 7782 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [1,0,0,1,0,0|2,0,0]=4 7783 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [1,0,0,1,0,0|2,0,0]=4 7784 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [1,0,0,1,0,0|2,0,0]=4 7785 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [1,0,0,1,0,0|2,0,0]=4 7786 B8R1.10 OCCNC1COC1 2230a_100016991112_100000211926 [1,0,0,1,0,0|1,0,0]=3 7787 B8R1.10 OCCNC1COC1 34a_100016990907_100009818527 [1,0,0,1,0,0|1,0,0]=3 7788 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [1,0,0,1,0,0|1,0,0]=3 7789 B8R1.10 OCCOC1CSC1 7a_100000072292_100000211926 [1,0,0,1,0,0|0,1,0]=3 7790 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [1,0,0,1,0,0|1,1,0]=4 7791 B8R1.10 OCCSC1COC1 62a_100000211926_100009818527 [1,0,0,1,0,0|0,1,0]=3 7792 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [1,0,0,1,0,0|0,0,0]=2 7793 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,0]=3 7794 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,0]=3 7795 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|2,0,0]=4 7796 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|2,0,0]=4 7797 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|2,0,0]=4 7798 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|2,0,0]=4 7799 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|2,0,0]=4 7800 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|2,0,0]=4 7801 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 7802 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 7803 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 7804 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|2,0,0]=4 7805 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [1,0,0,1,0,0|1,0,0]=3 7806 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [1,0,0,1,0,0|1,0,0]=3 7807 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [1,0,0,1,0,0|1,0,0]=3 7808 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|2,0,0]=4 7809 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|2,0,0]=4 7810 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,0]=3 7811 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,0]=3 7812 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [1,0,0,1,0,0|0,0,0]=2 7813 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [1,0,0,1,0,0|2,0,0]=4 7814 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,0,0,1,0,0|2,0,0]=4 7815 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [1,0,0,1,0,0|1,0,0]=3 7816 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [1,0,0,1,0,0|1,0,0]=3 7817 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [1,0,0,1,0,0|0,1,0]=3 7818 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [1,0,0,1,0,0|0,1,0]=3 7819 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,0,0,1,0,0|1,1,0]=4 7820 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,0,0,1,0,0|1,1,0]=4 7821 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [1,0,0,1,0,0|1,0,0]=3 7822 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 7823 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 7824 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 7825 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [1,0,0,1,0,0|1,0,0]=3 7826 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|2,0,0]=4 7827 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [1,0,0,1,0,0|2,0,0]=4 7828 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,0,0,1,0,0|2,0,0]=4 7829 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [1,0,0,1,0,0|1,0,0]=3 7830 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [1,0,0,1,0,0|0,1,0]=3 7831 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [1,0,0,1,0,0|0,1,0]=3 7832 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,0,0,1,0,0|1,1,0]=4 7833 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,0,0,1,0,0|1,1,0]=4 7834 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [1,0,0,1,0,0|2,0,0]=4 7835 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [1,0,0,1,0,0|2,0,0]=4 7836 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [1,0,0,1,0,0|2,0,0]=4 7837 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [1,0,0,1,0,0|2,0,0]=4 7838 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [1,0,0,1,0,0|1,0,0]=3 7839 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [1,0,0,1,0,0|1,0,0]=3 7840 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [1,0,0,1,0,0|1,0,0]=3 7841 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [1,0,0,1,0,0|1,0,0]=3 7842 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [1,0,0,1,0,0|1,0,0]=3 7843 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [1,0,0,1,0,0|1,0,0]=3 7844 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [1,0,0,1,0,0|2,0,0]=4 7845 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|2,0,0]=4 7846 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|2,0,0]=4 7847 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|2,0,0]=4 7848 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|1,0,0]=3 7849 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|1,0,0]=3 7850 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|1,0,0]=3 7851 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|2,0,0]=4 7852 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|2,0,0]=4 7853 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|2,0,0]=4 7854 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|1,0,0]=3 7855 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|1,0,0]=3 7856 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|1,0,0]=3 7857 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [1,0,0,1,0,0|2,0,0]=4 7858 B8R1.36 BrCCOCC1CC1 34a_100000211926_100000742324 [1,0,0,1,0,0|2,0,0]=4 7859 B8R1.36 BrCCOCC1CO1 34a_100000211926_102125554688 [1,0,0,1,0,0|1,0,0]=3 7860 B8R1.36 C#CCCOC1CC1 34a_100011215631_100000211595 [1,0,0,1,0,0|1,0,1]=4 7861 B8R1.36 C#CCOCC1CO1 34a_100000210247_102125554688 [1,0,0,1,0,0|0,0,2]=4 7862 B8R1.36 C#CCOC[C@@H]1CO1 34a_100000757423_100000184674 [1,0,0,1,0,0|0,0,2]=4 7863 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [1,0,0,1,0,0|1,0,1]=4 7864 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [1,0,0,1,0,0|1,0,1]=4 7865 B8R1.36 C=CCOCC1CO1 34a_200000210373_102125554688 [1,0,0,1,0,0|0,0,2]=4 7866 B8R1.36 C=CCOC[C@@H]1CO1 34a_100000757423_100015514636 [1,0,0,1,0,0|0,0,2]=4 7867 B8R1.36 CC#CCOC1CC1 34a_100000761923_100000211595 [1,0,0,1,0,0|1,0,1]=4 7868 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [1,0,0,1,0,0|2,0,0]=4 7869 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|1,0,0]=3 7870 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [1,0,0,1,0,0|1,1,0]=4 7871 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [1,0,0,1,0,0|2,0,0]=4 7872 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [1,0,0,1,0,0|2,0,0]=4 7873 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [1,0,0,1,0,0|2,0,0]=4 7874 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [1,0,0,1,0,0|1,0,0]=3 7875 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [1,0,0,1,0,0|1,0,0]=3 7876 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|0,0,0]=2 7877 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|0,0,0]=2 7878 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [1,0,0,1,0,0|1,1,0]=4 7879 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [1,0,0,1,0,0|1,1,0]=4 7880 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|0,1,0]=3 7881 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|0,1,0]=3 7882 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [1,0,0,1,0,0|0,2,0]=4 7883 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [1,0,0,1,0,0|0,2,0]=4 7884 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|0,1,0]=3 7885 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|0,1,0]=3 7886 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|2,0,0]=4 7887 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|2,0,0]=4 7888 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|2,0,0]=4 7889 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|2,0,0]=4 7890 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|2,0,0]=4 7891 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|1,0,0]=3 7892 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|1,0,0]=3 7893 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|1,0,0]=3 7894 B8R1.36 COCC#CC1CC1 34a_100000083941_200000210301 [1,0,0,1,0,0|1,0,1]=4 7895 B8R1.36 COCC#CC1CC1 34a_100138415774_100009895102 [1,0,0,1,0,0|1,0,1]=4 7896 B8R1.36 COCC#CC1CC1 7a_100000083941_200000210301 [1,0,0,1,0,0|1,0,1]=4 7897 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|0,0,0]=2 7898 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [1,0,0,1,0,0|1,0,0]=3 7899 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [1,0,0,1,0,0|1,0,0]=3 7900 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [1,0,0,1,0,0|0,0,0]=2 7901 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [1,0,0,1,0,0|0,1,0]=3 7902 B8R1.36 COCNCC1CC1 2230a_100000735609_100000766300 [1,0,0,1,0,0|2,0,0]=4 7903 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [1,0,0,1,0,0|1,1,0]=4 7904 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [1,0,0,1,0,0|1,1,0]=4 7905 B8R1.36 COCSCC1CO1 62a_100000766300_102125554688 [1,0,0,1,0,0|0,1,0]=3 7906 B8R1.36 COCSCC1CO1 62a_102125554688_100000766300 [1,0,0,1,0,0|0,1,0]=3 7907 B8R1.36 COCSCC1CS1 62a_100000031435_100000766300 [1,0,0,1,0,0|0,2,0]=4 7908 B8R1.36 COCSCC1CS1 62a_100000766300_100000031435 [1,0,0,1,0,0|0,2,0]=4 7909 B8R1.36 COCSC[C@@H]1CO1 62a_100000745022_100000766300 [1,0,0,1,0,0|0,1,0]=3 7910 B8R1.36 COCSC[C@@H]1CO1 62a_100000766300_100000745022 [1,0,0,1,0,0|0,1,0]=3 7911 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|0,1,0]=3 7912 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|0,1,0]=3 7913 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [1,0,0,1,0,0|1,1,0]=4 7914 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [1,0,0,1,0,0|0,1,0]=3 7915 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [1,0,0,1,0,0|0,2,0]=4 7916 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [1,0,0,1,0,0|1,1,0]=4 7917 B8R1.36 CSCOC[C@@H]1CO1 34a_100000757423_100011218213 [1,0,0,1,0,0|0,1,0]=3 7918 B8R1.36 CSCSCC1CO1 62a_100011218213_102125554688 [1,0,0,1,0,0|0,2,0]=4 7919 B8R1.36 CSCSCC1CO1 62a_102125554688_100011218213 [1,0,0,1,0,0|0,2,0]=4 7920 B8R1.36 CSCSC[C@@H]1CO1 62a_100000745022_100011218213 [1,0,0,1,0,0|0,2,0]=4 7921 B8R1.36 CSCSC[C@@H]1CO1 62a_100011218213_100000745022 [1,0,0,1,0,0|0,2,0]=4 7922 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [1,0,0,1,0,0|2,0,0]=4 7923 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [1,0,0,1,0,0|2,0,0]=4 7924 B8R1.36 FCCNCC1CO1 34a_100000724931_102125554688 [1,0,0,1,0,0|2,0,0]=4 7925 B8R1.36 FCCOCC1CC1 34a_100000211283_100011217306 [1,0,0,1,0,0|2,0,0]=4 7926 B8R1.36 FCCOC[C@@H]1CO1 34a_100000757423_100011217306 [1,0,0,1,0,0|1,0,0]=3 7927 B8R1.36 FCCSCC1CO1 62a_100011217306_102125554688 [1,0,0,1,0,0|1,1,0]=4 7928 B8R1.36 FCCSCC1CO1 62a_102125554688_100011217306 [1,0,0,1,0,0|1,1,0]=4 7929 B8R1.36 FCCSC[C@@H]1CO1 62a_100000745022_100011217306 [1,0,0,1,0,0|1,1,0]=4 7930 B8R1.36 FCCSC[C@@H]1CO1 62a_100011217306_100000745022 [1,0,0,1,0,0|1,1,0]=4 7931 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [1,0,0,1,0,0|2,0,0]=4 7932 B8R1.36 NCCOCC1CC1 34a_100000210304_100000742324 [1,0,0,1,0,0|2,0,0]=4 7933 B8R1.36 NCCOCC1CO1 34a_100000210304_102125554688 [1,0,0,1,0,0|1,0,0]=3 7934 B8R1.36 NOCCOC1CC1 34a_100000700252_100000211595 [1,0,0,1,0,0|1,0,0]=3 7935 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [1,0,0,1,0,0|0,0,2]=4 7936 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [1,0,0,1,0,0|2,0,0]=4 7937 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [1,0,0,1,0,0|2,0,0]=4 7938 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [1,0,0,1,0,0|2,0,0]=4 7939 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [1,0,0,1,0,0|2,0,0]=4 7940 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [1,0,0,1,0,0|2,0,0]=4 7941 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [1,0,0,1,0,0|1,0,0]=3 7942 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [1,0,0,1,0,0|1,0,0]=3 7943 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [1,0,0,1,0,0|1,0,0]=3 7944 B8R1.36 OCCOC[C@@H]1CO1 34a_100000757423_100000211926 [1,0,0,1,0,0|0,0,0]=2 7945 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [1,0,0,1,0,0|1,1,0]=4 7946 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [1,0,0,1,0,0|1,1,0]=4 7947 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [1,0,0,1,0,0|0,1,0]=3 7948 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [1,0,0,1,0,0|0,1,0]=3 7949 B8R1.36 OCCSCC1CS1 62a_100000031435_100000211926 [1,0,0,1,0,0|0,2,0]=4 7950 B8R1.36 OCCSCC1CS1 62a_100000211926_100000031435 [1,0,0,1,0,0|0,2,0]=4 7951 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [1,0,0,1,0,0|0,1,0]=3 7952 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [1,0,0,1,0,0|0,1,0]=3 7953 B8R1.36 [13CH3]OCC#CC1CC1 34a_100000083941_200025704644 [1,0,0,1,0,0|1,0,1]=4 7954 B8R1.36 [13CH3]OCC#CC1CC1 7a_100000083941_200025704644 [1,0,0,1,0,0|1,0,1]=4 7955 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [1,0,0,1,0,0|1,0,0]=3 7956 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|0,1,0]=3 7957 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|0,1,0]=3 7958 B10R1.10 CC1CNCC(C1)CO[13CH3] 34a_200012821172_200025704644 [0,1,0,1,0,0|2,0,0]=4 7959 B10R1.10 COCC1CCCN(C1)C 2230a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 7960 B10R1.10 COCC1CCCN(C1)C 269982a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 7961 B10R1.10 COCC1CCCN(C1)C 34a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 7962 B10R1.10 COCC1CCCN(C1)C 34a_100138415774_100015183302 [0,1,0,1,0,0|2,0,0]=4 7963 B10R1.10 COCC1CCCN(C1)[13CH3] 2230a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 7964 B10R1.10 COCC1CCCN(C1)[13CH3] 269982a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 7965 B10R1.10 COCC1CCCN(C1)[13CH3] 34a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 7966 B10R1.10 COCC1CN(CCO1)C 2230a_100000760289_200000210301 [0,1,0,1,0,0|1,0,0]=3 7967 B10R1.10 COCC1CN(CCO1)C 269982a_100000760289_200000210301 [0,1,0,1,0,0|1,0,0]=3 7968 B10R1.10 COCC1CN(CCO1)C 34a_100000760289_200000210301 [0,1,0,1,0,0|1,0,0]=3 7969 B10R1.10 COCC1CN(CCO1)[13CH3] 2230a_100000760289_200025704644 [0,1,0,1,0,0|1,0,0]=3 7970 B10R1.10 COCC1CN(CCO1)[13CH3] 269982a_100000760289_200025704644 [0,1,0,1,0,0|1,0,0]=3 7971 B10R1.10 COCC1CN(CCO1)[13CH3] 34a_100000760289_200025704644 [0,1,0,1,0,0|1,0,0]=3 7972 B10R1.10 COCC1CNCC(C1)C 34a_200012821172_200000210301 [0,1,0,1,0,0|2,0,0]=4 7973 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,1,0,1,0,0|1,0,1]=4 7974 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,1,0,1,0,0|1,0,1]=4 7975 B10R1.16 COCCN1CCC(C1)O 2230a_100011215560_100011201679 [0,1,0,1,0,0|2,0,0]=4 7976 B10R1.16 COCCN1CCC(C1)O 269982a_100011215560_100000233755 [0,1,0,1,0,0|2,0,0]=4 7977 B10R1.16 COCCN1CC[C@@H](C1)F 2230a_100015203821_100011201679 [0,1,0,1,0,0|2,0,0]=4 7978 B10R1.16 COCCN1CC[C@@H](C1)F 269982a_100015203821_100000233755 [0,1,0,1,0,0|2,0,0]=4 7979 B10R1.16 COCCN1CC[C@@H](C1)F 34a_100015203821_100011201679 [0,1,0,1,0,0|2,0,0]=4 7980 B10R1.16 COCCN1CC[C@H](C1)C 2230a_100016987628_100011201679 [0,1,0,1,0,0|2,0,0]=4 7981 B10R1.16 COCCN1CC[C@H](C1)C 269982a_100016987628_100000233755 [0,1,0,1,0,0|2,0,0]=4 7982 B10R1.16 COCCN1CC[C@H](C1)C 34a_100016987628_100011201679 [0,1,0,1,0,0|2,0,0]=4 7983 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|2,0,0]=4 7984 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|2,0,0]=4 7985 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|2,0,0]=4 7986 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|2,0,0]=4 7987 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [0,1,0,1,0,0|2,0,0]=4 7988 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [0,1,0,1,0,0|2,0,0]=4 7989 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [0,1,0,1,0,0|2,0,0]=4 7990 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [0,1,0,1,0,0|2,0,0]=4 7991 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [0,1,0,1,0,0|2,0,0]=4 7992 B10R1.18 CN(C)CC1CCCOC1 2230a_100102631434_100000741521 [0,1,0,1,0,0|2,0,0]=4 7993 B10R1.18 CN(C)CC1CCCOC1 269982a_100102631434_100000741521 [0,1,0,1,0,0|2,0,0]=4 7994 B10R1.18 CN(C)CC1COCCO1 2230a_100011398995_200000210301 [0,1,0,1,0,0|1,0,0]=3 7995 B10R1.18 CN(C)CC1COCCO1 269982a_100011398995_200000210301 [0,1,0,1,0,0|1,0,0]=3 7996 B10R1.18 CN(C)CC1COCCO1 34a_100011398995_200000210301 [0,1,0,1,0,0|1,0,0]=3 7997 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [0,1,0,1,0,0|2,0,0]=4 7998 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [0,1,0,1,0,0|2,0,0]=4 7999 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [0,1,0,1,0,0|2,0,0]=4 8000 B10R1.18 CN([13CH3])CC1COCCO1 2230a_100011398995_200025704644 [0,1,0,1,0,0|1,0,0]=3 8001 B10R1.18 CN([13CH3])CC1COCCO1 269982a_100011398995_200025704644 [0,1,0,1,0,0|1,0,0]=3 8002 B10R1.18 CN([13CH3])CC1COCCO1 34a_100011398995_200025704644 [0,1,0,1,0,0|1,0,0]=3 8003 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|2,0,0]=4 8004 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|2,0,0]=4 8005 B10R1.24 C=C1CC(C1)NCCOC 2230a_100132301982_100011201679 [0,1,0,1,0,0|2,0,0]=4 8006 B10R1.24 COCCNC1CC(C1)F 2230a_100016993743_100011201679 [0,1,0,1,0,0|2,0,0]=4 8007 B10R1.24 COCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011201679 [0,1,0,1,0,0|2,0,0]=4 8008 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [0,1,0,1,0,0|1,1,0]=4 8009 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,1,0,1,0,0|2,0,0]=4 8010 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,1,0,1,0,0|2,0,0]=4 8011 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [0,1,0,1,0,0|1,0,0]=3 8012 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [0,1,0,1,0,0|1,0,0]=3 8013 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [0,1,0,1,0,0|1,1,0]=4 8014 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [0,1,0,1,0,0|1,1,0]=4 8015 B10R1.61 CC(C)[C@H]1COCCN1C 2230a_100025712635_200000210301 [0,1,0,1,0,0|2,0,0]=4 8016 B10R1.61 CC(C)[C@H]1COCCN1C 269982a_100025712635_200000210301 [0,1,0,1,0,0|2,0,0]=4 8017 B10R1.61 CC(C)[C@H]1COCCN1C 34a_100025712635_200000210301 [0,1,0,1,0,0|2,0,0]=4 8018 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 2230a_100025712635_200025704644 [0,1,0,1,0,0|2,0,0]=4 8019 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 269982a_100025712635_200025704644 [0,1,0,1,0,0|2,0,0]=4 8020 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 34a_100025712635_200025704644 [0,1,0,1,0,0|2,0,0]=4 8021 B10R1.126 C=C(Br)CCOCC1CO1 34a_100009813270_102125554688 [0,1,0,1,0,0|1,0,1]=4 8022 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [0,1,0,1,0,0|2,0,0]=4 8023 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [0,1,0,1,0,0|2,0,0]=4 8024 B10R1.126 C=C(C)CCOCC1CO1 34a_100000764851_102125554688 [0,1,0,1,0,0|1,0,0]=3 8025 B10R1.126 C=C(C)CCOC[C@@H]1CO1 34a_100000757423_100000730704 [0,1,0,1,0,0|1,0,0]=3 8026 B10R1.126 C=C(C)CCSCC1CO1 62a_100000730704_102125554688 [0,1,0,1,0,0|1,1,0]=4 8027 B10R1.126 C=C(C)CCSCC1CO1 62a_102125554688_100000730704 [0,1,0,1,0,0|1,1,0]=4 8028 B10R1.126 C=C(C)CCSC[C@@H]1CO1 62a_100000730704_100000745022 [0,1,0,1,0,0|1,1,0]=4 8029 B10R1.126 C=C(C)CCSC[C@@H]1CO1 62a_100000745022_100000730704 [0,1,0,1,0,0|1,1,0]=4 8030 B10R1.126 CC(=CCOCC1CO1)C 34a_100000753907_102125554688 [0,1,0,1,0,0|1,0,1]=4 8031 B10R1.126 CC(=CCOC[C@@H]1CO1)C 34a_100000757423_100000761012 [0,1,0,1,0,0|1,0,1]=4 8032 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,1,0,1,0,0|2,0,0]=4 8033 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,1,0,1,0,0|2,0,0]=4 8034 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,1,0,1,0,0|1,0,0]=3 8035 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,1,0,1,0,0|1,0,0]=3 8036 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [0,1,0,1,0,0|1,1,0]=4 8037 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,1,0,1,0,0|1,0,0]=3 8038 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,1,0,1,0,0|1,1,0]=4 8039 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,1,0,1,0,0|1,1,0]=4 8040 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,1,0,1,0,0|1,1,0]=4 8041 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,1,0,1,0,0|1,1,0]=4 8042 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [0,1,0,1,0,0|2,0,0]=4 8043 B10R1.126 CC(Br)CCOCC1CC1 34a_100009893172_100000742324 [0,1,0,1,0,0|2,0,0]=4 8044 B10R1.126 CC(Br)CCOCC1CO1 34a_100009893172_102125554688 [0,1,0,1,0,0|1,0,0]=3 8045 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [0,1,0,1,0,0|2,0,0]=4 8046 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [0,1,0,1,0,0|2,0,0]=4 8047 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [0,1,0,1,0,0|2,0,0]=4 8048 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [0,1,0,1,0,0|1,0,0]=3 8049 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [0,1,0,1,0,0|1,0,0]=3 8050 B10R1.126 CC(C)CCOCC1CS1 7a_100000210254_100000031435 [0,1,0,1,0,0|1,1,0]=4 8051 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [0,1,0,1,0,0|1,0,0]=3 8052 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [0,1,0,1,0,0|1,0,0]=3 8053 B10R1.126 CC(C)CCSCC1CO1 62a_100000210312_102125554688 [0,1,0,1,0,0|1,1,0]=4 8054 B10R1.126 CC(C)CCSCC1CO1 62a_102125554688_100000210312 [0,1,0,1,0,0|1,1,0]=4 8055 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000210312_100000745022 [0,1,0,1,0,0|1,1,0]=4 8056 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000745022_100000210312 [0,1,0,1,0,0|1,1,0]=4 8057 B10R1.126 CC(C)OCOC[C@@H]1CO1 34a_100000757423_100000709892 [0,1,0,1,0,0|2,0,0]=4 8058 B10R1.126 CC(O)CCNCC1CO1 2230a_200000755665_100011216344 [0,1,0,1,0,0|2,0,0]=4 8059 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [0,1,0,1,0,0|2,0,0]=4 8060 B10R1.126 CC(O)CCOC[C@@H]1CO1 34a_100000757423_100012276601 [0,1,0,1,0,0|1,0,0]=3 8061 B10R1.126 CC(O)CCSCC1CO1 62a_100012276601_102125554688 [0,1,0,1,0,0|1,1,0]=4 8062 B10R1.126 CC(O)CCSCC1CO1 62a_102125554688_100012276601 [0,1,0,1,0,0|1,1,0]=4 8063 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100000745022_100012276601 [0,1,0,1,0,0|1,1,0]=4 8064 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100012276601_100000745022 [0,1,0,1,0,0|1,1,0]=4 8065 B10R1.126 CN(C)CCSCC1CO1 62a_102125554688_100000755713 [0,1,0,1,0,0|1,1,0]=4 8066 B10R1.126 CN(C)CCSC[C@@H]1CO1 62a_100000745022_100000755713 [0,1,0,1,0,0|1,1,0]=4 8067 B10R1.126 C[C@@H](N)CCOCC1CC1 34a_100000706166_100000742324 [0,1,0,1,0,0|2,0,0]=4 8068 B10R1.126 C[C@@H](N)CCOCC1CO1 34a_100000706166_102125554688 [0,1,0,1,0,0|1,0,0]=3 8069 B10R1.126 FC(F)CCOCC1CO1 34a_100103093639_102125554688 [0,1,0,1,0,0|2,0,0]=4 8070 B10R1.126 NC(=O)CCOCC1CO1 34a_100000757172_102125554688 [0,1,0,1,0,0|2,0,0]=4 8071 B10R1.126 NC(=O)CCOCC1CO1 7a_100000757172_102125554688 [0,1,0,1,0,0|2,0,0]=4 8072 B10R1.126 NC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000731001 [0,1,0,1,0,0|2,0,0]=4 8073 B10R1.126 NC(=O)CCOC[C@@H]1CO1 7a_100000757172_100000745022 [0,1,0,1,0,0|2,0,0]=4 8074 B10R1.127 C=C(Br)CCOC1COC1 34a_100009813270_100009818527 [0,1,0,1,0,0|1,0,1]=4 8075 B10R1.127 C=C(C)CCNC1COC1 2230a_100016991112_100000730704 [0,1,0,1,0,0|2,0,0]=4 8076 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [0,1,0,1,0,0|2,0,0]=4 8077 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [0,1,0,1,0,0|2,0,0]=4 8078 B10R1.127 C=C(C)CCOC1COC1 34a_100000764851_100009818527 [0,1,0,1,0,0|1,0,0]=3 8079 B10R1.127 C=C(C)CCOC1CSC1 7a_100000072292_100000730704 [0,1,0,1,0,0|1,1,0]=4 8080 B10R1.127 C=C(C)CCSC1COC1 62a_100000730704_100009818527 [0,1,0,1,0,0|1,1,0]=4 8081 B10R1.127 CC(=CCOC1COC1)C 34a_100000753907_100009818527 [0,1,0,1,0,0|1,0,1]=4 8082 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|2,0,0]=4 8083 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [0,1,0,1,0,0|1,0,0]=3 8084 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [0,1,0,1,0,0|1,0,0]=3 8085 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [0,1,0,1,0,0|1,1,0]=4 8086 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [0,1,0,1,0,0|1,1,0]=4 8087 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [0,1,0,1,0,0|2,0,0]=4 8088 B10R1.127 CC(Br)CCOC1COC1 34a_100009893172_100009818527 [0,1,0,1,0,0|1,0,0]=3 8089 B10R1.127 CC(C)CCNC1COC1 2230a_100016991112_100000210312 [0,1,0,1,0,0|2,0,0]=4 8090 B10R1.127 CC(C)CCNC1COC1 269862a_100016991112_100000185833 [0,1,0,1,0,0|2,0,0]=4 8091 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [0,1,0,1,0,0|2,0,0]=4 8092 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [0,1,0,1,0,0|2,0,0]=4 8093 B10R1.127 CC(C)CCOC1COC1 34a_100000210254_100009818527 [0,1,0,1,0,0|1,0,0]=3 8094 B10R1.127 CC(C)CCOC1COC1 7a_100000210254_100009818527 [0,1,0,1,0,0|1,0,0]=3 8095 B10R1.127 CC(C)CCOC1CSC1 7a_100000072292_100000210626 [0,1,0,1,0,0|1,1,0]=4 8096 B10R1.127 CC(C)CCSC1COC1 62a_100000210312_100009818527 [0,1,0,1,0,0|1,1,0]=4 8097 B10R1.127 CC(O)CCNC1COC1 2230a_100016991112_100012276601 [0,1,0,1,0,0|2,0,0]=4 8098 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [0,1,0,1,0,0|2,0,0]=4 8099 B10R1.127 CC(O)CCOC1CSC1 7a_100000072292_100012276601 [0,1,0,1,0,0|1,1,0]=4 8100 B10R1.127 CC(O)CCSC1COC1 62a_100012276601_100009818527 [0,1,0,1,0,0|1,1,0]=4 8101 B10R1.127 CN(C)CCOC1CSC1 7a_100000072292_100000755713 [0,1,0,1,0,0|1,1,0]=4 8102 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [0,1,0,1,0,0|2,0,0]=4 8103 B10R1.127 C[C@@H](N)CCOC1COC1 34a_100000706166_100009818527 [0,1,0,1,0,0|1,0,0]=3 8104 B10R1.127 FC(F)CCOC1COC1 34a_100103093639_100009818527 [0,1,0,1,0,0|2,0,0]=4 8105 B10R1.127 NC(=O)CCOC1COC1 34a_100000757172_100009818527 [0,1,0,1,0,0|2,0,0]=4 8106 B10R1.127 NC(=O)CCOC1COC1 7a_100000757172_100009818527 [0,1,0,1,0,0|2,0,0]=4 8107 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [0,1,0,1,0,0|2,0,0]=4 8108 B10R1.177 BrCCCCOCC1CO1 34a_100011216708_102125554688 [0,1,0,1,0,0|1,0,0]=3 8109 B10R1.177 BrCCCOCCC1CO1 34a_100011217188_100000732470 [0,1,0,1,0,0|2,0,0]=4 8110 B10R1.177 C#CCCCOCC1CO1 34a_100000215630_102125554688 [0,1,0,1,0,0|1,0,1]=4 8111 B10R1.177 C#CCCCOCC1CO1 7a_100000215630_102125554688 [0,1,0,1,0,0|1,0,1]=4 8112 B10R1.177 C#CCCCOC[C@@H]1CO1 34a_100000757423_100000695029 [0,1,0,1,0,0|1,0,1]=4 8113 B10R1.177 C#CCCCOC[C@@H]1CO1 7a_100000215630_100000745022 [0,1,0,1,0,0|1,0,1]=4 8114 B10R1.177 C#CCCOCCC1CO1 34a_100011215631_100000732470 [0,1,0,1,0,0|1,0,1]=4 8115 B10R1.177 C#CCCOCC[C@@H]1CO1 34a_100009820653_100000688953 [0,1,0,1,0,0|1,0,1]=4 8116 B10R1.177 C/C=C/CCOCC1CC1 34a_100016278192_100000742324 [0,1,0,1,0,0|2,0,0]=4 8117 B10R1.177 C/C=C/CCOCC1CO1 34a_100016278192_102125554688 [0,1,0,1,0,0|1,0,0]=3 8118 B10R1.177 C/C=C/COCCC1CO1 34a_100016270725_100000732470 [0,1,0,1,0,0|1,0,1]=4 8119 B10R1.177 C/C=C/COCC[C@@H]1CO1 34a_100009820653_100102629194 [0,1,0,1,0,0|1,0,1]=4 8120 B10R1.177 C=CCCCOCC1CO1 34a_100000758997_102125554688 [0,1,0,1,0,0|1,0,1]=4 8121 B10R1.177 C=CCCCOCC1CO1 7a_100000758997_102125554688 [0,1,0,1,0,0|1,0,1]=4 8122 B10R1.177 C=CCCCOC[C@@H]1CO1 34a_100000757423_100000757094 [0,1,0,1,0,0|1,0,1]=4 8123 B10R1.177 C=CCCCOC[C@@H]1CO1 7a_100000758997_100000745022 [0,1,0,1,0,0|1,0,1]=4 8124 B10R1.177 C=CCCOCCC1CO1 34a_100011205117_100000732470 [0,1,0,1,0,0|1,0,1]=4 8125 B10R1.177 C=CCCOCC[C@@H]1CO1 34a_100009820653_100000754431 [0,1,0,1,0,0|1,0,1]=4 8126 B10R1.177 C=COCCOCC1CC1 34a_100000033082_100000742324 [0,1,0,1,0,0|1,0,1]=4 8127 B10R1.177 C=COCCOCC1CC1 34a_100000211283_100000039644 [0,1,0,1,0,0|1,0,1]=4 8128 B10R1.177 C=COCCOCC1CO1 34a_100000033082_102125554688 [0,1,0,1,0,0|0,0,1]=3 8129 B10R1.177 C=COCCOC[C@@H]1CO1 34a_100000757423_100000039644 [0,1,0,1,0,0|0,0,1]=3 8130 B10R1.177 C=COCCSCC1CO1 62a_100000039644_102125554688 [0,1,0,1,0,0|0,1,1]=4 8131 B10R1.177 C=COCCSCC1CO1 62a_102125554688_100000039644 [0,1,0,1,0,0|0,1,1]=4 8132 B10R1.177 C=COCCSC[C@@H]1CO1 62a_100000039644_100000745022 [0,1,0,1,0,0|0,1,1]=4 8133 B10R1.177 C=COCCSC[C@@H]1CO1 62a_100000745022_100000039644 [0,1,0,1,0,0|0,1,1]=4 8134 B10R1.177 CC#CCCOCC1CC1 34a_100000750427_100000742324 [0,1,0,1,0,0|2,0,0]=4 8135 B10R1.177 CC#CCCOCC1CO1 34a_100000750427_102125554688 [0,1,0,1,0,0|1,0,0]=3 8136 B10R1.177 CC#CCOCCC1CO1 34a_100000761923_100000732470 [0,1,0,1,0,0|1,0,1]=4 8137 B10R1.177 CC#CCOCC[C@@H]1CO1 34a_100009820653_100000748600 [0,1,0,1,0,0|1,0,1]=4 8138 B10R1.177 CC/C=C\COCC1CO1 34a_100016268518_102125554688 [0,1,0,1,0,0|1,0,1]=4 8139 B10R1.177 CC/C=C\COC[C@@H]1CO1 34a_100000757423_100103147603 [0,1,0,1,0,0|1,0,1]=4 8140 B10R1.177 CC=CCOCC[C@@H]1CO1 34a_100009820653_100000070051 [0,1,0,1,0,0|1,0,1]=4 8141 B10R1.177 CCC#CCOCC1CO1 34a_100000032950_102125554688 [0,1,0,1,0,0|1,0,1]=4 8142 B10R1.177 CCC#CCOC[C@@H]1CO1 34a_100000757423_100009813939 [0,1,0,1,0,0|1,0,1]=4 8143 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,1,0,1,0,0|2,0,0]=4 8144 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [0,1,0,1,0,0|2,0,0]=4 8145 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [0,1,0,1,0,0|2,0,0]=4 8146 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [0,1,0,1,0,0|2,0,0]=4 8147 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,1,0,1,0,0|1,0,0]=3 8148 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,1,0,1,0,0|1,0,0]=3 8149 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [0,1,0,1,0,0|1,1,0]=4 8150 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,1,0,1,0,0|1,0,0]=3 8151 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,1,0,1,0,0|1,0,0]=3 8152 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,1,0,1,0,0|1,1,0]=4 8153 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,1,0,1,0,0|1,1,0]=4 8154 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,1,0,1,0,0|1,1,0]=4 8155 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,1,0,1,0,0|1,1,0]=4 8156 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,1,0,1,0,0|2,0,0]=4 8157 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,1,0,1,0,0|2,0,0]=4 8158 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [0,1,0,1,0,0|2,0,0]=4 8159 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [0,1,0,1,0,0|2,0,0]=4 8160 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [0,1,0,1,0,0|2,0,0]=4 8161 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [0,1,0,1,0,0|2,0,0]=4 8162 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,1,0,1,0,0|1,0,0]=3 8163 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,1,0,1,0,0|1,0,0]=3 8164 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,1,0,1,0,0|1,0,0]=3 8165 B10R1.177 CCCCOCNC1CC1 34a_100000212008_100011995733 [0,1,0,1,0,0|2,0,0]=4 8166 B10R1.177 CCCCOCSC1CC1 62a_100011995733_100000211595 [0,1,0,1,0,0|2,0,0]=4 8167 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,1,0,1,0,0|1,1,0]=4 8168 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,1,0,1,0,0|1,1,0]=4 8169 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,1,0,1,0,0|2,0,0]=4 8170 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,1,0,1,0,0|2,0,0]=4 8171 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,1,0,1,0,0|2,0,0]=4 8172 B10R1.177 CCOCCNCC1CC1 2230a_100000735609_100011215890 [0,1,0,1,0,0|2,0,0]=4 8173 B10R1.177 CCOCCNCC1CC1 2230a_102516460346_100000742324 [0,1,0,1,0,0|2,0,0]=4 8174 B10R1.177 CCOCCNCC1CC1 269862a_100011200944_100000741477 [0,1,0,1,0,0|2,0,0]=4 8175 B10R1.177 CCOCCNCC1CC1 34a_100000735609_100000210147 [0,1,0,1,0,0|2,0,0]=4 8176 B10R1.177 CCOCCNCC1CC1 34a_102516460346_100000742324 [0,1,0,1,0,0|2,0,0]=4 8177 B10R1.177 CCOCCNCC1CO1 2230a_102516460346_100011216344 [0,1,0,1,0,0|1,0,0]=3 8178 B10R1.177 CCOCCNCC1CO1 34a_102516460346_102125554688 [0,1,0,1,0,0|1,0,0]=3 8179 B10R1.177 CCOCCOCC1CC1 34a_100000210136_100000742324 [0,1,0,1,0,0|1,0,0]=3 8180 B10R1.177 CCOCCOCC1CC1 34a_100000211283_100000210147 [0,1,0,1,0,0|1,0,0]=3 8181 B10R1.177 CCOCCOCC1CC1 7a_100000210136_100000742324 [0,1,0,1,0,0|1,0,0]=3 8182 B10R1.177 CCOCCOCC1CO1 34a_100000210136_102125554688 [0,1,0,1,0,0|0,0,0]=2 8183 B10R1.177 CCOCCOCC1CO1 7a_100000210136_102125554688 [0,1,0,1,0,0|0,0,0]=2 8184 B10R1.177 CCOCCOCC1CS1 7a_100000210136_100000031435 [0,1,0,1,0,0|0,1,0]=3 8185 B10R1.177 CCOCCOC[C@@H]1CO1 34a_100000757423_100000210147 [0,1,0,1,0,0|0,0,0]=2 8186 B10R1.177 CCOCCOC[C@@H]1CO1 7a_100000210136_100000745022 [0,1,0,1,0,0|0,0,0]=2 8187 B10R1.177 CCOCCSCC1CC1 62a_100000210147_100000742324 [0,1,0,1,0,0|1,1,0]=4 8188 B10R1.177 CCOCCSCC1CC1 62a_100000756562_100011215890 [0,1,0,1,0,0|1,1,0]=4 8189 B10R1.177 CCOCCSCC1CO1 62a_100000210147_102125554688 [0,1,0,1,0,0|0,1,0]=3 8190 B10R1.177 CCOCCSCC1CO1 62a_102125554688_100011215890 [0,1,0,1,0,0|0,1,0]=3 8191 B10R1.177 CCOCCSCC1CS1 62a_100000031435_100011215890 [0,1,0,1,0,0|0,2,0]=4 8192 B10R1.177 CCOCCSCC1CS1 62a_100000210147_100000031435 [0,1,0,1,0,0|0,2,0]=4 8193 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000210147_100000745022 [0,1,0,1,0,0|0,1,0]=3 8194 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000745022_100011215890 [0,1,0,1,0,0|0,1,0]=3 8195 B10R1.177 CCOCSCCC1CO1 62a_100000732470_100000739092 [0,1,0,1,0,0|2,0,0]=4 8196 B10R1.177 CCOCSCCC1CO1 62a_100000739092_100000732470 [0,1,0,1,0,0|2,0,0]=4 8197 B10R1.177 CCSCCNCC1CO1 2230a_100000106463_100011216344 [0,1,0,1,0,0|1,1,0]=4 8198 B10R1.177 CCSCCOCC1CC1 34a_100000211283_100000757381 [0,1,0,1,0,0|1,1,0]=4 8199 B10R1.177 CCSCCOCC1CC1 34a_100000212035_100000742324 [0,1,0,1,0,0|1,1,0]=4 8200 B10R1.177 CCSCCOCC1CC1 7a_100000212035_100000742324 [0,1,0,1,0,0|1,1,0]=4 8201 B10R1.177 CCSCCOCC1CO1 34a_100000212035_102125554688 [0,1,0,1,0,0|0,1,0]=3 8202 B10R1.177 CCSCCOCC1CO1 7a_100000212035_102125554688 [0,1,0,1,0,0|0,1,0]=3 8203 B10R1.177 CCSCCOCC1CS1 7a_100000212035_100000031435 [0,1,0,1,0,0|0,2,0]=4 8204 B10R1.177 CCSCCOC[C@@H]1CO1 34a_100000757423_100000757381 [0,1,0,1,0,0|0,1,0]=3 8205 B10R1.177 CCSCCOC[C@@H]1CO1 7a_100000212035_100000745022 [0,1,0,1,0,0|0,1,0]=3 8206 B10R1.177 CCSCCSCC1CO1 62a_100000757381_102125554688 [0,1,0,1,0,0|0,2,0]=4 8207 B10R1.177 CCSCCSCC1CO1 62a_102125554688_100000757381 [0,1,0,1,0,0|0,2,0]=4 8208 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000745022_100000757381 [0,1,0,1,0,0|0,2,0]=4 8209 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000757381_100000745022 [0,1,0,1,0,0|0,2,0]=4 8210 B10R1.177 CNCCCOCC1CC1 34a_100000213112_100000742324 [0,1,0,1,0,0|2,0,0]=4 8211 B10R1.177 CNCCCOCC1CO1 34a_100000213112_102125554688 [0,1,0,1,0,0|1,0,0]=3 8212 B10R1.177 COCCCCNC1CC1 34a_100000212008_100000755781 [0,1,0,1,0,0|2,0,0]=4 8213 B10R1.177 COCCCCOC1CC1 34a_100000740925_100000211595 [0,1,0,1,0,0|2,0,0]=4 8214 B10R1.177 COCCCCSC1CC1 62a_100000730899_100000211595 [0,1,0,1,0,0|2,0,0]=4 8215 B10R1.177 COCCCNCC1CC1 2230a_100000735609_100000740836 [0,1,0,1,0,0|2,0,0]=4 8216 B10R1.177 COCCCNCC1CC1 269862a_100150723488_100000741477 [0,1,0,1,0,0|2,0,0]=4 8217 B10R1.177 COCCCNCC1CC1 34a_100000735609_100000740836 [0,1,0,1,0,0|2,0,0]=4 8218 B10R1.177 COCCCNCC1CC1 34a_100150723488_100000742324 [0,1,0,1,0,0|2,0,0]=4 8219 B10R1.177 COCCCNCC1CO1 34a_100150723488_102125554688 [0,1,0,1,0,0|1,0,0]=3 8220 B10R1.177 COCCCOCC1CC1 34a_100000211283_100000740836 [0,1,0,1,0,0|1,0,0]=3 8221 B10R1.177 COCCCOCC1CC1 34a_100000740835_100000742324 [0,1,0,1,0,0|1,0,0]=3 8222 B10R1.177 COCCCOCC1CO1 34a_100000740835_102125554688 [0,1,0,1,0,0|0,0,0]=2 8223 B10R1.177 COCCCOC[C@@H]1CO1 34a_100000757423_100000740836 [0,1,0,1,0,0|0,0,0]=2 8224 B10R1.177 COCCCSCC1CC1 62a_100000709357_100000742324 [0,1,0,1,0,0|1,1,0]=4 8225 B10R1.177 COCCCSCC1CC1 62a_100000756562_100000709357 [0,1,0,1,0,0|1,1,0]=4 8226 B10R1.177 COCCCSCC1CO1 62a_100000709357_102125554688 [0,1,0,1,0,0|0,1,0]=3 8227 B10R1.177 COCCCSCC1CO1 62a_102125554688_100000709357 [0,1,0,1,0,0|0,1,0]=3 8228 B10R1.177 COCCCSCC1CS1 62a_100000031435_100000709357 [0,1,0,1,0,0|0,2,0]=4 8229 B10R1.177 COCCCSCC1CS1 62a_100000709357_100000031435 [0,1,0,1,0,0|0,2,0]=4 8230 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000709357_100000745022 [0,1,0,1,0,0|0,1,0]=3 8231 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000745022_100000709357 [0,1,0,1,0,0|0,1,0]=3 8232 B10R1.177 COCCNCCC1CC1 2230a_100000209980_100000694398 [0,1,0,1,0,0|2,0,0]=4 8233 B10R1.177 COCCNCCC1CC1 34a_100000764129_100011201679 [0,1,0,1,0,0|2,0,0]=4 8234 B10R1.177 COCCNCCC1CO1 2230a_100000209980_100000732470 [0,1,0,1,0,0|1,0,0]=3 8235 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [0,1,0,1,0,0|1,0,0]=3 8236 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [0,1,0,1,0,0|1,0,0]=3 8237 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [0,1,0,1,0,0|1,0,0]=3 8238 B10R1.177 COCCOCCC1CO1 34a_100000210237_100000732470 [0,1,0,1,0,0|0,0,0]=2 8239 B10R1.177 COCCOCC[C@@H]1CO1 34a_100009820653_100011201679 [0,1,0,1,0,0|0,0,0]=2 8240 B10R1.177 COCCOCSC1CC1 62a_100000231047_100000211595 [0,1,0,1,0,0|1,0,0]=3 8241 B10R1.177 COCCSCCC1CC1 62a_100000233755_100000764125 [0,1,0,1,0,0|1,1,0]=4 8242 B10R1.177 COCCSCCC1CC1 62a_100000764125_100000233755 [0,1,0,1,0,0|1,1,0]=4 8243 B10R1.177 COCCSCCC1CO1 62a_100000233755_100000732470 [0,1,0,1,0,0|0,1,0]=3 8244 B10R1.177 COCCSCCC1CO1 62a_100000732470_100000233755 [0,1,0,1,0,0|0,1,0]=3 8245 B10R1.177 COCSCCCC1CO1 62a_100000733510_100000766300 [0,1,0,1,0,0|1,0,0]=3 8246 B10R1.177 COCSCCCC1CO1 62a_100000766300_100000733510 [0,1,0,1,0,0|1,0,0]=3 8247 B10R1.177 CSCCCNCC1CO1 2230a_100000749238_100011216344 [0,1,0,1,0,0|1,1,0]=4 8248 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [0,1,0,1,0,0|1,1,0]=4 8249 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [0,1,0,1,0,0|1,1,0]=4 8250 B10R1.177 CSCCCOCC1CO1 34a_100000690336_102125554688 [0,1,0,1,0,0|0,1,0]=3 8251 B10R1.177 CSCCCOCC1CO1 7a_100000690336_102125554688 [0,1,0,1,0,0|0,1,0]=3 8252 B10R1.177 CSCCCOCC1CS1 7a_100000690336_100000031435 [0,1,0,1,0,0|0,2,0]=4 8253 B10R1.177 CSCCCOC[C@@H]1CO1 7a_100000690336_100000745022 [0,1,0,1,0,0|0,1,0]=3 8254 B10R1.177 CSCCNCCC1CO1 2230a_100020590264_100000732470 [0,1,0,1,0,0|1,1,0]=4 8255 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [0,1,0,1,0,0|1,1,0]=4 8256 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [0,1,0,1,0,0|1,1,0]=4 8257 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [0,1,0,1,0,0|1,1,0]=4 8258 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [0,1,0,1,0,0|1,1,0]=4 8259 B10R1.177 CSCCOCCC1CO1 34a_100000230434_100000732470 [0,1,0,1,0,0|0,1,0]=3 8260 B10R1.177 CSCCOCCC1CO1 7a_100000230434_100000732470 [0,1,0,1,0,0|0,1,0]=3 8261 B10R1.177 CSCCOCC[C@@H]1CO1 34a_100009820653_100000212216 [0,1,0,1,0,0|0,1,0]=3 8262 B10R1.177 CSCCSCCC1CO1 62a_100000212216_100000732470 [0,1,0,1,0,0|0,2,0]=4 8263 B10R1.177 CSCCSCCC1CO1 62a_100000732470_100000751147 [0,1,0,1,0,0|0,2,0]=4 8264 B10R1.177 CSCSCCCC1CO1 62a_100000733510_100011218213 [0,1,0,1,0,0|1,1,0]=4 8265 B10R1.177 CSCSCCCC1CO1 62a_100011218213_100000733510 [0,1,0,1,0,0|1,1,0]=4 8266 B10R1.177 ClCC#CCOCC1CO1 34a_200000047223_102125554688 [0,1,0,1,0,0|1,0,1]=4 8267 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [0,1,0,1,0,0|2,0,0]=4 8268 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [0,1,0,1,0,0|2,0,0]=4 8269 B10R1.177 ClCCCCOCC1CO1 34a_100000210776_102125554688 [0,1,0,1,0,0|1,0,0]=3 8270 B10R1.177 ClCCCCOCC1CO1 7a_100000210776_102125554688 [0,1,0,1,0,0|1,0,0]=3 8271 B10R1.177 ClCCCCOCC1CS1 7a_100000210776_100000031435 [0,1,0,1,0,0|1,1,0]=4 8272 B10R1.177 ClCCCCOC[C@@H]1CO1 7a_100000210776_100000745022 [0,1,0,1,0,0|1,0,0]=3 8273 B10R1.177 ClCCCOCCC1CO1 34a_100000230001_100000732470 [0,1,0,1,0,0|2,0,0]=4 8274 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [0,1,0,1,0,0|2,0,0]=4 8275 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [0,1,0,1,0,0|2,0,0]=4 8276 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [0,1,0,1,0,0|2,0,0]=4 8277 B10R1.177 FCCCCOCC1CO1 34a_100011995726_102125554688 [0,1,0,1,0,0|1,0,0]=3 8278 B10R1.177 FCCCCOCC1CO1 7a_100011995726_102125554688 [0,1,0,1,0,0|1,0,0]=3 8279 B10R1.177 FCCCCOCC1CS1 7a_100011995726_100000031435 [0,1,0,1,0,0|1,1,0]=4 8280 B10R1.177 FCCCCOC[C@@H]1CO1 34a_100000757423_100000729493 [0,1,0,1,0,0|1,0,0]=3 8281 B10R1.177 FCCCCOC[C@@H]1CO1 7a_100011995726_100000745022 [0,1,0,1,0,0|1,0,0]=3 8282 B10R1.177 FCCCCSCC1CO1 62a_100000729493_102125554688 [0,1,0,1,0,0|1,1,0]=4 8283 B10R1.177 FCCCCSCC1CO1 62a_102125554688_100000729493 [0,1,0,1,0,0|1,1,0]=4 8284 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000729493_100000745022 [0,1,0,1,0,0|1,1,0]=4 8285 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000745022_100000729493 [0,1,0,1,0,0|1,1,0]=4 8286 B10R1.177 FCCCOCCC1CO1 34a_100000759539_100000732470 [0,1,0,1,0,0|2,0,0]=4 8287 B10R1.177 FCCCOCC[C@@H]1CO1 34a_100009820653_100011934791 [0,1,0,1,0,0|2,0,0]=4 8288 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [0,1,0,1,0,0|2,0,0]=4 8289 B10R1.177 ICCCCOCC1CO1 34a_200012148704_102125554688 [0,1,0,1,0,0|1,0,0]=3 8290 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [0,1,0,1,0,0|2,0,0]=4 8291 B10R1.177 NCCCCOCC1CO1 34a_100000750430_102125554688 [0,1,0,1,0,0|1,0,0]=3 8292 B10R1.177 NCCCOCCC1CO1 34a_100000182051_100000732470 [0,1,0,1,0,0|2,0,0]=4 8293 B10R1.177 NOCCOCCC1CC1 34a_100000700252_100000694398 [0,1,0,1,0,0|2,0,0]=4 8294 B10R1.177 NOCCOCCC1CO1 34a_100000700252_100000732470 [0,1,0,1,0,0|1,0,0]=3 8295 B10R1.177 OCC#CCOC[C@@H]1CO1 34a_100000757423_200000047223 [0,1,0,1,0,0|1,0,1]=4 8296 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [0,1,0,1,0,0|2,0,0]=4 8297 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [0,1,0,1,0,0|2,0,0]=4 8298 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,1,0,1,0,0|2,0,0]=4 8299 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [0,1,0,1,0,0|1,0,0]=3 8300 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [0,1,0,1,0,0|1,1,0]=4 8301 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [0,1,0,1,0,0|1,1,0]=4 8302 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [0,1,0,1,0,0|1,1,0]=4 8303 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [0,1,0,1,0,0|1,1,0]=4 8304 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [0,1,0,1,0,0|2,0,0]=4 8305 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,1,0,1,0,0|1,0,1]=4 8306 B10R1.11 COCC(C)N1CCCC1 2230a_100000188435_100000765312 [0,1,0,1,0,0|2,0,0]=4 8307 B10R1.11 COCC(C)N1CCCC1 269982a_100000188435_100000765312 [0,1,0,1,0,0|2,0,0]=4 8308 B10R1.11 COCC(C)N1CCCC1 270004a_100000188435_100000749346 [0,1,0,1,0,0|2,0,0]=4 8309 B10R1.11 COCC(C)N1CCSC1 2230a_100011215254_100000765312 [0,1,0,1,0,0|1,1,0]=4 8310 B10R1.11 COCC(C)N1CCSC1 269982a_100011215254_100000765312 [0,1,0,1,0,0|1,1,0]=4 8311 B10R1.11 COCC(C)N1CCSC1 270004a_100011215254_100000749346 [0,1,0,1,0,0|1,1,0]=4 8312 B10R1.11 COCN(C)C1CCOC1 2230a_100016988252_100000766300 [0,1,0,1,0,0|2,0,0]=4 8313 B10R1.11 COCN(C)C1CCOC1 269982a_100016988252_100000766300 [0,1,0,1,0,0|2,0,0]=4 8314 B10R1.21 BrCCCOC1CCOC1 34a_100011217188_100000690089 [0,1,0,1,0,0|2,0,0]=4 8315 B10R1.21 C#CCCOC1CCOC1 34a_100011215631_100000690089 [0,1,0,1,0,0|1,0,1]=4 8316 B10R1.21 C#CCCO[C@H]1CCOC1 34a_100000717292_100000688953 [0,1,0,1,0,0|1,0,1]=4 8317 B10R1.21 C/C=C/COC1CCOC1 34a_100016270725_100000690089 [0,1,0,1,0,0|1,0,1]=4 8318 B10R1.21 C/C=C/CO[C@H]1CCOC1 34a_100000717292_100102629194 [0,1,0,1,0,0|1,0,1]=4 8319 B10R1.21 C=CCCOC1CCOC1 34a_100011205117_100000690089 [0,1,0,1,0,0|1,0,1]=4 8320 B10R1.21 C=CCCO[C@H]1CCOC1 34a_100000717292_100000754431 [0,1,0,1,0,0|1,0,1]=4 8321 B10R1.21 CC#CCOC1CCOC1 34a_100000761923_100000690089 [0,1,0,1,0,0|1,0,1]=4 8322 B10R1.21 CC#CCO[C@H]1CCOC1 34a_100000717292_100000748600 [0,1,0,1,0,0|1,0,1]=4 8323 B10R1.21 CC=CCO[C@H]1CCOC1 34a_100000717292_100000070051 [0,1,0,1,0,0|1,0,1]=4 8324 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [0,1,0,1,0,0|2,0,0]=4 8325 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [0,1,0,1,0,0|2,0,0]=4 8326 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [0,1,0,1,0,0|2,0,0]=4 8327 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [0,1,0,1,0,0|2,0,0]=4 8328 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [0,1,0,1,0,0|2,0,0]=4 8329 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [0,1,0,1,0,0|2,0,0]=4 8330 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [0,1,0,1,0,0|2,0,0]=4 8331 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [0,1,0,1,0,0|2,0,0]=4 8332 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [0,1,0,1,0,0|2,0,0]=4 8333 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [0,1,0,1,0,0|2,0,0]=4 8334 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,1,0,1,0,0|2,0,0]=4 8335 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [0,1,0,1,0,0|1,0,0]=3 8336 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [0,1,0,1,0,0|1,0,0]=3 8337 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [0,1,0,1,0,0|1,1,0]=4 8338 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [0,1,0,1,0,0|1,0,0]=3 8339 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [0,1,0,1,0,0|1,1,0]=4 8340 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [0,1,0,1,0,0|2,0,0]=4 8341 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [0,1,0,1,0,0|2,0,0]=4 8342 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [0,1,0,1,0,0|2,0,0]=4 8343 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [0,1,0,1,0,0|2,0,0]=4 8344 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [0,1,0,1,0,0|2,0,0]=4 8345 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [0,1,0,1,0,0|2,0,0]=4 8346 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [0,1,0,1,0,0|2,0,0]=4 8347 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [0,1,0,1,0,0|2,0,0]=4 8348 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [0,1,0,1,0,0|2,0,0]=4 8349 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [0,1,0,1,0,0|2,0,0]=4 8350 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [0,1,0,1,0,0|1,0,0]=3 8351 B10R1.21 CCOCCN1CCCC1 2230a_100000188435_100011215890 [0,1,0,1,0,0|2,0,0]=4 8352 B10R1.21 CCOCCN1CCCC1 269982a_100000188435_100011215890 [0,1,0,1,0,0|2,0,0]=4 8353 B10R1.21 CCOCCN1CCSC1 2230a_100011215254_100011215890 [0,1,0,1,0,0|1,1,0]=4 8354 B10R1.21 CCOCCN1CCSC1 269982a_100011215254_100011215890 [0,1,0,1,0,0|1,1,0]=4 8355 B10R1.21 CCOCSC1CCOC1 62a_100000739092_100000690089 [0,1,0,1,0,0|2,0,0]=4 8356 B10R1.21 CNCCOC1CCCC1 34a_100000741755_200000210301 [0,1,0,1,0,0|2,0,0]=4 8357 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [0,1,0,1,0,0|2,0,0]=4 8358 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [0,1,0,1,0,0|2,0,0]=4 8359 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [0,1,0,1,0,0|2,0,0]=4 8360 B10R1.21 COCCCN1CCCC1 2230a_100000188435_100000740836 [0,1,0,1,0,0|2,0,0]=4 8361 B10R1.21 COCCCN1CCCC1 269982a_100000188435_100000740836 [0,1,0,1,0,0|2,0,0]=4 8362 B10R1.21 COCCCN1CCCC1 34a_100138415774_100016991639 [0,1,0,1,0,0|2,0,0]=4 8363 B10R1.21 COCCCN1CCSC1 2230a_100011215254_100000740836 [0,1,0,1,0,0|1,1,0]=4 8364 B10R1.21 COCCCN1CCSC1 269982a_100011215254_100000740836 [0,1,0,1,0,0|1,1,0]=4 8365 B10R1.21 COCCNC1CC=CC1 2230a_100015188752_100011201679 [0,1,0,1,0,0|2,0,0]=4 8366 B10R1.21 COCCNC1CCCC1 2230a_100000209980_100000179811 [0,1,0,1,0,0|2,0,0]=4 8367 B10R1.21 COCCNC1CCCC1 2230a_100000211070_100011201679 [0,1,0,1,0,0|2,0,0]=4 8368 B10R1.21 COCCNC1CCCC1 270004a_100000209980_100000210133 [0,1,0,1,0,0|2,0,0]=4 8369 B10R1.21 COCCNC1CCCC1 34a_100000211070_100011201679 [0,1,0,1,0,0|2,0,0]=4 8370 B10R1.21 COCCNC1CCCC1 34a_200000200444_200000210301 [0,1,0,1,0,0|2,0,0]=4 8371 B10R1.21 COCCNC1CCOC1 2230a_100000209980_100000731011 [0,1,0,1,0,0|1,0,0]=3 8372 B10R1.21 COCCNC1CCOC1 270004a_100000209980_100000752484 [0,1,0,1,0,0|1,0,0]=3 8373 B10R1.21 COCCNC1CCSC1 270004a_100000209980_100000212027 [0,1,0,1,0,0|1,1,0]=4 8374 B10R1.21 COCCN[C@@H]1CCOC1 2230a_200015188469_100011201679 [0,1,0,1,0,0|1,0,0]=3 8375 B10R1.21 COCCN[C@H]1CCOC1 2230a_100015188467_100011201679 [0,1,0,1,0,0|1,0,0]=3 8376 B10R1.21 COCCN[C@H]1CCOC1 34a_100015188467_100011201679 [0,1,0,1,0,0|1,0,0]=3 8377 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [0,1,0,1,0,0|1,0,0]=3 8378 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [0,1,0,1,0,0|1,0,0]=3 8379 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [0,1,0,1,0,0|1,0,0]=3 8380 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [0,1,0,1,0,0|1,0,0]=3 8381 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [0,1,0,1,0,0|1,0,0]=3 8382 B10R1.21 COCCOC1CCCO1 34a_100000085407_100011201679 [0,1,0,1,0,0|1,0,0]=3 8383 B10R1.21 COCCOC1CCOC1 34a_100000210237_100000690089 [0,1,0,1,0,0|0,0,0]=2 8384 B10R1.21 COCCOC1CCSC1 7a_100011232664_100000233755 [0,1,0,1,0,0|0,1,0]=3 8385 B10R1.21 COCCO[C@H]1CCOC1 34a_100000717292_100011201679 [0,1,0,1,0,0|0,0,0]=2 8386 B10R1.21 COCCSC1CCCC1 62a_100000233755_100000179811 [0,1,0,1,0,0|1,1,0]=4 8387 B10R1.21 COCCSC1CCCC1 62a_100011217020_100000233755 [0,1,0,1,0,0|1,1,0]=4 8388 B10R1.21 COCCSC1CCOC1 62a_100000233755_100000690089 [0,1,0,1,0,0|0,1,0]=3 8389 B10R1.21 COCNCC1CCCC1 2230a_100000737975_100000766300 [0,1,0,1,0,0|2,0,0]=4 8390 B10R1.21 COCNCC1CCOC1 2230a_100000737293_100000766300 [0,1,0,1,0,0|1,0,0]=3 8391 B10R1.21 COCSCC1CCCC1 62a_100000740388_100000766300 [0,1,0,1,0,0|2,0,0]=4 8392 B10R1.21 COCSCC1CCCC1 62a_100000766300_100000740388 [0,1,0,1,0,0|2,0,0]=4 8393 B10R1.21 COCSCC1CCOC1 62a_100000702531_100000766300 [0,1,0,1,0,0|1,0,0]=3 8394 B10R1.21 COCSCC1CCOC1 62a_100000766300_100000702531 [0,1,0,1,0,0|1,0,0]=3 8395 B10R1.21 CSCCNC1CCOC1 2230a_100020590264_100000731011 [0,1,0,1,0,0|1,1,0]=4 8396 B10R1.21 CSCCNC1CCOC1 270004a_100020590264_100000752484 [0,1,0,1,0,0|1,1,0]=4 8397 B10R1.21 CSCCN[C@@H]1CCOC1 2230a_200015188469_100000751147 [0,1,0,1,0,0|1,1,0]=4 8398 B10R1.21 CSCCN[C@H]1CCOC1 2230a_100015188467_100000751147 [0,1,0,1,0,0|1,1,0]=4 8399 B10R1.21 CSCCN[C@H]1CCOC1 34a_100015188467_100000212216 [0,1,0,1,0,0|1,1,0]=4 8400 B10R1.21 CSCCOC1CCCC1 34a_100000210269_100000212216 [0,1,0,1,0,0|1,1,0]=4 8401 B10R1.21 CSCCOC1CCCC1 34a_100000230434_100000179811 [0,1,0,1,0,0|1,1,0]=4 8402 B10R1.21 CSCCOC1CCCC1 7a_100000210269_100000212216 [0,1,0,1,0,0|1,1,0]=4 8403 B10R1.21 CSCCOC1CCCC1 7a_100000230434_100000179811 [0,1,0,1,0,0|1,1,0]=4 8404 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [0,1,0,1,0,0|1,1,0]=4 8405 B10R1.21 CSCCOC1CCOC1 34a_100000230434_100000690089 [0,1,0,1,0,0|0,1,0]=3 8406 B10R1.21 CSCCOC1CCOC1 7a_100000230434_100000731011 [0,1,0,1,0,0|0,1,0]=3 8407 B10R1.21 CSCCOC1CCSC1 7a_100011232664_100000212216 [0,1,0,1,0,0|0,2,0]=4 8408 B10R1.21 CSCCO[C@H]1CCOC1 34a_100000717292_100000212216 [0,1,0,1,0,0|0,1,0]=3 8409 B10R1.21 CSCCSC1CCOC1 62a_100000212216_100000690089 [0,1,0,1,0,0|0,2,0]=4 8410 B10R1.21 CSCNCC1CCOC1 2230a_100000737293_100011218213 [0,1,0,1,0,0|1,1,0]=4 8411 B10R1.21 CSCNCC1CCOC1 34a_100000737293_100011218213 [0,1,0,1,0,0|1,1,0]=4 8412 B10R1.21 CSCOCC1CCOC1 34a_100000740260_100011218213 [0,1,0,1,0,0|1,1,0]=4 8413 B10R1.21 CSCSCC1CCOC1 62a_100000702531_100011218213 [0,1,0,1,0,0|1,1,0]=4 8414 B10R1.21 CSCSCC1CCOC1 62a_100011218213_100000702531 [0,1,0,1,0,0|1,1,0]=4 8415 B10R1.21 ClCCCOC1CCOC1 34a_100000230001_100000690089 [0,1,0,1,0,0|2,0,0]=4 8416 B10R1.21 FCCCOC1CCOC1 34a_100000759539_100000690089 [0,1,0,1,0,0|2,0,0]=4 8417 B10R1.21 FCCCO[C@H]1CCOC1 34a_100000717292_100011934791 [0,1,0,1,0,0|2,0,0]=4 8418 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [0,1,0,1,0,0|2,0,0]=4 8419 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [0,1,0,1,0,0|2,0,0]=4 8420 B10R1.21 FCOCCC1CCNC1 34a_100016987287_100015361967 [0,1,0,1,0,0|2,0,0]=4 8421 B10R1.21 FCOCCC1CCOC1 34a_100011879284_100015361967 [0,1,0,1,0,0|1,0,0]=3 8422 B10R1.21 NCCCOC1CCOC1 34a_100000182051_100000690089 [0,1,0,1,0,0|2,0,0]=4 8423 B10R1.21 NOCCOC1CCCC1 34a_100000700252_100000179811 [0,1,0,1,0,0|2,0,0]=4 8424 B10R1.21 NOCCOC1CCOC1 34a_100000700252_100000690089 [0,1,0,1,0,0|1,0,0]=3 8425 B10R1.21 OCCCO[C@H]1CCOC1 34a_100000717292_100000230001 [0,1,0,1,0,0|2,0,0]=4 8426 B10R1.21 [13CH3]NCCOC1CCCC1 34a_100000741755_200025704644 [0,1,0,1,0,0|2,0,0]=4 8427 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [0,1,0,1,0,0|2,0,0]=4 8428 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [0,1,0,1,0,0|2,0,0]=4 8429 B10R1.21 [13CH3]OCCNC1CCCC1 34a_200000200444_200025704644 [0,1,0,1,0,0|2,0,0]=4 8430 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [0,1,0,1,0,0|1,0,0]=3 8431 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [0,1,0,1,0,0|1,0,0]=3 8432 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [0,1,0,1,0,0|2,0,0]=4 8433 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [0,1,0,1,0,0|2,0,0]=4 8434 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [0,1,0,1,0,0|2,0,0]=4 8435 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [0,1,0,1,0,0|2,0,0]=4 8436 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [0,1,0,1,0,0|2,0,0]=4 8437 B10R1.29 CN1CCCC1CCO[13CH3] 34a_100011215177_200025704644 [0,1,0,1,0,0|2,0,0]=4 8438 B10R1.29 CN1CCCC1CCO[13CH3] 7a_100011215177_200025704644 [0,1,0,1,0,0|2,0,0]=4 8439 B10R1.29 CN1CCCC1COCF 34a_100000743107_100015361967 [0,1,0,1,0,0|2,0,0]=4 8440 B10R1.29 COCCC1CCCN1C 34a_100011215177_200000210301 [0,1,0,1,0,0|2,0,0]=4 8441 B10R1.29 COCCC1CCCN1C 34a_100138415774_100000005710 [0,1,0,1,0,0|2,0,0]=4 8442 B10R1.29 COCCC1CCCN1C 7a_100011215177_200000210301 [0,1,0,1,0,0|2,0,0]=4 8443 B10R1.29 COCCN1CCC[C@@H]1C 2230a_100020605311_100011201679 [0,1,0,1,0,0|2,0,0]=4 8444 B10R1.29 COCCN1CCC[C@@H]1C 269982a_100020605311_100000233755 [0,1,0,1,0,0|2,0,0]=4 8445 B10R1.29 COCCN1CCC[C@H]1C 2230a_100015189458_100011201679 [0,1,0,1,0,0|2,0,0]=4 8446 B10R1.29 COCCN1CCC[C@H]1C 269982a_100015189458_100000233755 [0,1,0,1,0,0|2,0,0]=4 8447 B10R1.29 COCCN1CCC[C@H]1C 34a_100015189458_100011201679 [0,1,0,1,0,0|2,0,0]=4 8448 B10R1.29 COCCN1CCSC1C 2230a_200011216479_100011201679 [0,1,0,1,0,0|1,1,0]=4 8449 B10R1.29 COCCN1CCSC1C 269982a_200011216479_100000233755 [0,1,0,1,0,0|1,1,0]=4 8450 B10R1.29 COCCN1CCSC1C 34a_200011216479_100011201679 [0,1,0,1,0,0|1,1,0]=4 8451 B10R1.29 COCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000766300 [0,1,0,1,0,0|2,0,0]=4 8452 B10R1.29 COCSC1COCC1O 62a_100000766300_200000725654 [0,1,0,1,0,0|2,0,0]=4 8453 B10R1.29 COCSC1COCC1O 62a_200000725654_100000766300 [0,1,0,1,0,0|2,0,0]=4 8454 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,1,0,1,0,0|2,0,0]=4 8455 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,1,0,1,0,0|2,0,0]=4 8456 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,1,0,1,0,0|2,0,0]=4 8457 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,1,0,1,0,0|2,0,0]=4 8458 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,1,0,1,0,0|2,0,0]=4 8459 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,1,0,1,0,0|2,0,0]=4 8460 B10R1.85 COCC1CNCCOC1 34a_100103147999_200000210301 [0,1,0,1,0,0|1,0,0]=3 8461 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [0,1,0,1,0,0|2,0,0]=4 8462 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [0,1,0,1,0,0|2,0,0]=4 8463 B10R1.85 COCN1CCCOCC1 2230a_100000685342_100000766300 [0,1,0,1,0,0|2,0,0]=4 8464 B10R1.85 COCN1CCCOCC1 269982a_100000685342_100000766300 [0,1,0,1,0,0|2,0,0]=4 8465 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,1,0,1,0,0|2,0,0]=4 8466 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,1,0,1,0,0|2,0,0]=4 8467 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,1,0,1,0,0|2,0,0]=4 8468 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,1,0,1,0,0|2,0,0]=4 8469 B10R1.85 [13CH3]OCC1CNCCOC1 34a_100103147999_200025704644 [0,1,0,1,0,0|1,0,0]=3 8470 B10R1.92 COCC1CN(C1)COC 2230a_100016993750_100000766300 [0,1,0,1,0,0|2,0,0]=4 8471 B10R1.92 COCC1CN(C1)COC 269982a_100016993750_100000766300 [0,1,0,1,0,0|2,0,0]=4 8472 B10R1.96 COCN1CC[C@H](C1)OC 2230a_100000766984_100000766300 [0,1,0,1,0,0|2,0,0]=4 8473 B10R1.96 COCN1CC[C@H](C1)OC 269982a_100000766984_100000766300 [0,1,0,1,0,0|2,0,0]=4 8474 B10R1.137 C#CCC(C)OC1COC1 34a_100000685586_100009818527 [0,1,0,1,0,0|1,0,1]=4 8475 B10R1.137 C#CCC(C)OC1COC1 7a_100000685586_100009818527 [0,1,0,1,0,0|1,0,1]=4 8476 B10R1.137 C/C=C/C(C)OC1COC1 34a_200102604097_100009818527 [0,1,0,1,0,0|1,0,1]=4 8477 B10R1.137 C=CC[C@@H](C)OC1COC1 34a_100000731007_100009818527 [0,1,0,1,0,0|1,0,1]=4 8478 B10R1.137 C=CC[C@@H](C)OC1COC1 7a_100000731007_100009818527 [0,1,0,1,0,0|1,0,1]=4 8479 B10R1.137 CC#CC(C)OC1COC1 34a_100011216543_100009818527 [0,1,0,1,0,0|1,0,1]=4 8480 B10R1.137 CC(CCBr)OC1COC1 34a_100012276601_100009818527 [0,1,0,1,0,0|2,0,0]=4 8481 B10R1.137 CCCC(C)NC1COC1 2230a_100016991112_100000766640 [0,1,0,1,0,0|2,0,0]=4 8482 B10R1.137 CCCC(C)NC1COC1 270004a_100016991112_100000211909 [0,1,0,1,0,0|2,0,0]=4 8483 B10R1.137 CCCC(C)OC1CCC1 34a_100000748187_100000766640 [0,1,0,1,0,0|2,0,0]=4 8484 B10R1.137 CCCC(C)OC1CCC1 34a_100000764384_100000749161 [0,1,0,1,0,0|2,0,0]=4 8485 B10R1.137 CCCC(C)OC1COC1 34a_100000764384_100009818527 [0,1,0,1,0,0|1,0,0]=3 8486 B10R1.137 CCCC(C)OC1COC1 7a_100000764384_100009818527 [0,1,0,1,0,0|1,0,0]=3 8487 B10R1.137 CCCC(C)OC1CSC1 7a_100000072292_100000766640 [0,1,0,1,0,0|1,1,0]=4 8488 B10R1.137 CCCC(C)SC1COC1 62a_100000766640_100009818527 [0,1,0,1,0,0|1,1,0]=4 8489 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [0,1,0,1,0,0|1,0,1]=4 8490 B10R1.137 COCC(=O)NC1COC1 11a_100016991112_100000210968 [0,1,0,1,0,0|1,0,1]=4 8491 B10R1.137 COCC(=O)NC1COC1 1626a_100016991112_100000210968 [0,1,0,1,0,0|1,0,1]=4 8492 B10R1.137 COCC(=O)NC1COC1 240690a_100016991112_100000210968 [0,1,0,1,0,0|1,0,1]=4 8493 B10R1.137 COCC(=O)NC1COC1 527a_100016991112_100000210968 [0,1,0,1,0,0|1,0,1]=4 8494 B10R1.137 COCC(C)NC1CCC1 2230a_100000749019_100000765312 [0,1,0,1,0,0|2,0,0]=4 8495 B10R1.137 COCC(C)NC1CCC1 34a_100000749019_100000765312 [0,1,0,1,0,0|2,0,0]=4 8496 B10R1.137 COCC(C)NC1COC1 2230a_100016991112_100000765312 [0,1,0,1,0,0|1,0,0]=3 8497 B10R1.137 COCC(C)NC1COC1 270004a_100016991112_100000749346 [0,1,0,1,0,0|1,0,0]=3 8498 B10R1.137 COCC(C)NC1CSC1 270004a_100016994217_100000749346 [0,1,0,1,0,0|1,1,0]=4 8499 B10R1.137 COCC(C)OC1CCC1 34a_100000748187_100000765312 [0,1,0,1,0,0|1,0,0]=3 8500 B10R1.137 COCC(C)OC1CSC1 7a_100000072292_100000765312 [0,1,0,1,0,0|0,1,0]=3 8501 B10R1.137 COCC(C)SC1CCC1 62a_100000765312_100000749161 [0,1,0,1,0,0|1,1,0]=4 8502 B10R1.137 COCC(C)SC1COC1 62a_100000765312_100009818527 [0,1,0,1,0,0|0,1,0]=3 8503 B10R1.137 COC[C@@H](C)NC1CCC1 270004a_100000764878_100000241760 [0,1,0,1,0,0|2,0,0]=4 8504 B10R1.137 COC[C@@H](C)OC1CCC1 34a_100011934205_100000749161 [0,1,0,1,0,0|1,0,0]=3 8505 B10R1.137 COC[C@@H](C)OC1COC1 34a_100011934205_100009818527 [0,1,0,1,0,0|0,0,0]=2 8506 B10R1.137 CSCC(C)NC1COC1 270004a_100016991112_100011216314 [0,1,0,1,0,0|1,1,0]=4 8507 B10R1.138 C#CCC(C)OCC1CO1 34a_100000685586_102125554688 [0,1,0,1,0,0|1,0,1]=4 8508 B10R1.138 C#CCC(C)OCC1CO1 7a_100000685586_102125554688 [0,1,0,1,0,0|1,0,1]=4 8509 B10R1.138 C#CCC(C)OC[C@@H]1CO1 7a_100000685586_100000745022 [0,1,0,1,0,0|1,0,1]=4 8510 B10R1.138 C/C=C/C(C)OCC1CO1 34a_200102604097_102125554688 [0,1,0,1,0,0|1,0,1]=4 8511 B10R1.138 C=CC[C@@H](C)OCC1CO1 34a_100000731007_102125554688 [0,1,0,1,0,0|1,0,1]=4 8512 B10R1.138 C=CC[C@@H](C)OCC1CO1 7a_100000731007_102125554688 [0,1,0,1,0,0|1,0,1]=4 8513 B10R1.138 C=CC[C@@H](C)OC[C@@H]1CO1 7a_100000731007_100000745022 [0,1,0,1,0,0|1,0,1]=4 8514 B10R1.138 CC#CC(C)OCC1CO1 34a_100011216543_102125554688 [0,1,0,1,0,0|1,0,1]=4 8515 B10R1.138 CC(CCBr)OCC1CO1 34a_100012276601_102125554688 [0,1,0,1,0,0|2,0,0]=4 8516 B10R1.138 CC(CCO)OC[C@@H]1CO1 34a_100000757423_100009893172 [0,1,0,1,0,0|2,0,0]=4 8517 B10R1.138 CCCC(C)NCC1CO1 2230a_100000741246_100011216344 [0,1,0,1,0,0|2,0,0]=4 8518 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [0,1,0,1,0,0|2,0,0]=4 8519 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [0,1,0,1,0,0|2,0,0]=4 8520 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [0,1,0,1,0,0|2,0,0]=4 8521 B10R1.138 CCCC(C)OCC1CO1 34a_100000764384_102125554688 [0,1,0,1,0,0|1,0,0]=3 8522 B10R1.138 CCCC(C)OCC1CO1 7a_100000764384_102125554688 [0,1,0,1,0,0|1,0,0]=3 8523 B10R1.138 CCCC(C)OCC1CS1 7a_100000764384_100000031435 [0,1,0,1,0,0|1,1,0]=4 8524 B10R1.138 CCCC(C)OC[C@@H]1CO1 34a_100000757423_100000766640 [0,1,0,1,0,0|1,0,0]=3 8525 B10R1.138 CCCC(C)OC[C@@H]1CO1 7a_100000764384_100000745022 [0,1,0,1,0,0|1,0,0]=3 8526 B10R1.138 CCCC(C)SCC1CO1 62a_100000766640_102125554688 [0,1,0,1,0,0|1,1,0]=4 8527 B10R1.138 CCCC(C)SCC1CO1 62a_102125554688_100000766640 [0,1,0,1,0,0|1,1,0]=4 8528 B10R1.138 CCCC(C)SC[C@@H]1CO1 62a_100000745022_100000766640 [0,1,0,1,0,0|1,1,0]=4 8529 B10R1.138 CCCC(C)SC[C@@H]1CO1 62a_100000766640_100000745022 [0,1,0,1,0,0|1,1,0]=4 8530 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,1,0,1,0,0|1,0,1]=4 8531 B10R1.138 COCC(C)NCC1CC1 2230a_100000735609_100000765312 [0,1,0,1,0,0|2,0,0]=4 8532 B10R1.138 COCC(C)NCC1CC1 270004a_100000735609_100000749346 [0,1,0,1,0,0|2,0,0]=4 8533 B10R1.138 COCC(C)NCC1CC1 34a_100000735609_100000765312 [0,1,0,1,0,0|2,0,0]=4 8534 B10R1.138 COCC(C)OCC1CC1 34a_100000211283_100000765312 [0,1,0,1,0,0|1,0,0]=3 8535 B10R1.138 COCC(C)OC[C@@H]1CO1 34a_100000757423_100000765312 [0,1,0,1,0,0|0,0,0]=2 8536 B10R1.138 COCC(C)SCC1CC1 62a_100000756562_100000765312 [0,1,0,1,0,0|1,1,0]=4 8537 B10R1.138 COCC(C)SCC1CC1 62a_100000765312_100000742324 [0,1,0,1,0,0|1,1,0]=4 8538 B10R1.138 COCC(C)SCC1CO1 62a_100000765312_102125554688 [0,1,0,1,0,0|0,1,0]=3 8539 B10R1.138 COCC(C)SCC1CO1 62a_102125554688_100000765312 [0,1,0,1,0,0|0,1,0]=3 8540 B10R1.138 COCC(C)SCC1CS1 62a_100000031435_100000765312 [0,1,0,1,0,0|0,2,0]=4 8541 B10R1.138 COCC(C)SCC1CS1 62a_100000765312_100000031435 [0,1,0,1,0,0|0,2,0]=4 8542 B10R1.138 COCC(C)SC[C@@H]1CO1 62a_100000745022_100000765312 [0,1,0,1,0,0|0,1,0]=3 8543 B10R1.138 COCC(C)SC[C@@H]1CO1 62a_100000765312_100000745022 [0,1,0,1,0,0|0,1,0]=3 8544 B10R1.138 COC[C@@H](C)NCC1CC1 2230a_100000764878_100000742324 [0,1,0,1,0,0|2,0,0]=4 8545 B10R1.138 COC[C@@H](C)NCC1CC1 269862a_100000764878_100000741477 [0,1,0,1,0,0|2,0,0]=4 8546 B10R1.138 COC[C@@H](C)NCC1CO1 2230a_100000764878_100011216344 [0,1,0,1,0,0|1,0,0]=3 8547 B10R1.138 COC[C@@H](C)OCC1CC1 34a_100011934205_100000742324 [0,1,0,1,0,0|1,0,0]=3 8548 B10R1.138 COC[C@@H](C)OCC1CO1 34a_100011934205_102125554688 [0,1,0,1,0,0|0,0,0]=2 8549 B10R1.139 COCC(C)N1CCC1C 269982a_100000755817_100000765312 [0,1,0,1,0,0|2,0,0]=4 8550 B10R1.139 COCC(C)N1CCC1C 34a_100000755817_100000765312 [0,1,0,1,0,0|2,0,0]=4 8551 B10R1.186 CCCCNC(C)C1CO1 270004a_100000102301_100000031964 [0,1,0,1,0,0|2,0,0]=4 8552 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [0,1,0,1,0,0|2,0,0]=4 8553 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [0,1,0,1,0,0|2,0,0]=4 8554 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|1,0,1]=4 8555 B10R1.186 COCCNC(=O)C1CO1 1626a_100000209980_100000701028 [0,1,0,1,0,0|1,0,1]=4 8556 B10R1.186 COCCNC(=O)C1CO1 240690a_100000209980_100000701028 [0,1,0,1,0,0|1,0,1]=4 8557 B10R1.186 COCCNC(=O)C1CO1 527a_100000209980_100000701028 [0,1,0,1,0,0|1,0,1]=4 8558 B10R1.186 COCCNC(C)C1CC1 2230a_100000700016_100011201679 [0,1,0,1,0,0|2,0,0]=4 8559 B10R1.186 COCCNC(C)C1CC1 269862a_100000209980_100000210639 [0,1,0,1,0,0|2,0,0]=4 8560 B10R1.186 COCCNC(C)C1CC1 34a_100000700016_100011201679 [0,1,0,1,0,0|2,0,0]=4 8561 B10R1.186 COCCNC(C)C1CO1 270004a_100000209980_100000031964 [0,1,0,1,0,0|1,0,0]=3 8562 B10R1.186 COCCOC(C)C1CC1 34a_100000744524_100011201679 [0,1,0,1,0,0|1,0,0]=3 8563 B10R1.186 COCCOC(C)C1CC1 7a_100000744524_100000233755 [0,1,0,1,0,0|1,0,0]=3 8564 B10R1.186 CSCCNC(C)C1CO1 270004a_100020590264_100000031964 [0,1,0,1,0,0|1,1,0]=4 8565 B10R1.186 CSCCOC(C)C1CC1 34a_100000744524_100000212216 [0,1,0,1,0,0|1,1,0]=4 8566 B10R1.186 CSCCOC(C)C1CC1 7a_100000744524_100000212216 [0,1,0,1,0,0|1,1,0]=4 8567 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [0,1,0,1,0,0|2,0,0]=4 8568 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [0,1,0,1,0,0|2,0,0]=4 8569 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [0,1,0,1,0,0|2,0,0]=4 8570 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [0,1,0,1,0,0|2,0,0]=4 8571 B10R1.376 CCCCNC1(COC1)C 2230a_100000732644_100000210211 [0,1,0,1,0,0|2,0,0]=4 8572 B10R1.376 CCCCOC1(CCC1)C 34a_100000759064_100000210210 [0,1,0,1,0,0|2,0,0]=4 8573 B10R1.376 CCCCOC1(CCC1)C 7a_100000759064_100000210211 [0,1,0,1,0,0|2,0,0]=4 8574 B10R1.376 CCCCOC1(CSC1)C 7a_100016018533_100000210211 [0,1,0,1,0,0|1,1,0]=4 8575 B10R1.376 COCCNC1(CCC1)C 2230a_100000692455_100011201679 [0,1,0,1,0,0|2,0,0]=4 8576 B10R1.376 COCCNC1(CCC1)C 34a_100000692455_100011201679 [0,1,0,1,0,0|2,0,0]=4 8577 B10R1.376 COCCNC1(COC1)C 2230a_100000732644_100011201679 [0,1,0,1,0,0|1,0,0]=3 8578 B10R1.376 COCCOC1(CCC1)C 34a_100000759064_100011201679 [0,1,0,1,0,0|1,0,0]=3 8579 B10R1.376 COCCOC1(CCC1)C 7a_100000759064_100000233755 [0,1,0,1,0,0|1,0,0]=3 8580 B10R1.376 COCCOC1(CSC1)C 7a_100016018533_100000233755 [0,1,0,1,0,0|0,1,0]=3 8581 B10R1.376 COCNCC1(COC1)C 2230a_100020631278_100000766300 [0,1,0,1,0,0|2,0,0]=4 8582 B10R1.376 COCNCC1(COC1)O 2230a_100010264505_100000766300 [0,1,0,1,0,0|2,0,0]=4 8583 B10R1.376 COCSCC1(COC1)C 62a_100000766300_100009817586 [0,1,0,1,0,0|2,0,0]=4 8584 B10R1.376 COCSCC1(COC1)C 62a_100009817586_100000766300 [0,1,0,1,0,0|2,0,0]=4 8585 B10R1.376 CSCCNC1(COC1)C 2230a_100000732644_100000751147 [0,1,0,1,0,0|1,1,0]=4 8586 B10R1.376 CSCCOC1(CCC1)C 34a_100000759064_100000212216 [0,1,0,1,0,0|1,1,0]=4 8587 B10R1.376 CSCCOC1(CCC1)C 7a_100000759064_100000212216 [0,1,0,1,0,0|1,1,0]=4 8588 B10R1.376 CSCCOC1(CSC1)C 7a_100016018533_100000212216 [0,1,0,1,0,0|0,2,0]=4 8589 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [0,1,0,1,0,0|2,0,0]=4 8590 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [0,1,0,1,0,0|2,0,0]=4 8591 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [0,1,0,1,0,0|2,0,0]=4 8592 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [0,1,0,1,0,0|2,0,0]=4 8593 B10R1.377 COCC1(CCCCC1)F 34a_100000090305_200000210301 [0,1,0,1,0,0|2,0,0]=4 8594 B10R1.377 COCC1(CCCCC1)F 7a_100000090305_200000210301 [0,1,0,1,0,0|2,0,0]=4 8595 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [0,1,0,1,0,0|2,0,0]=4 8596 B10R1.377 [13CH3]OCC1(CCCCC1)F 34a_100000090305_200025704644 [0,1,0,1,0,0|2,0,0]=4 8597 B10R1.377 [13CH3]OCC1(CCCCC1)F 7a_100000090305_200025704644 [0,1,0,1,0,0|2,0,0]=4 8598 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [0,1,0,1,0,0|2,0,0]=4 8599 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,1,0,1,0,0|2,0,0]=4 8600 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,1,0,1,0,0|2,0,0]=4 8601 B10R1.4 CC1CCNCC1OCF 34a_100000696640_100015361967 [0,1,0,1,0,0|2,0,0]=4 8602 B10R1.4 CCCC1COCCN1C 2230a_102495339903_200000210301 [0,1,0,1,0,0|2,0,0]=4 8603 B10R1.4 CCCC1COCCN1C 269982a_102495339903_200000210301 [0,1,0,1,0,0|2,0,0]=4 8604 B10R1.4 CCCC1COCCN1C 34a_102495339903_200000210301 [0,1,0,1,0,0|2,0,0]=4 8605 B10R1.4 CCCC1COCCN1[13CH3] 2230a_102495339903_200025704644 [0,1,0,1,0,0|2,0,0]=4 8606 B10R1.4 CCCC1COCCN1[13CH3] 269982a_102495339903_200025704644 [0,1,0,1,0,0|2,0,0]=4 8607 B10R1.4 CCCC1COCCN1[13CH3] 34a_102495339903_200025704644 [0,1,0,1,0,0|2,0,0]=4 8608 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,1,0,1,0,0|2,0,0]=4 8609 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,1,0,1,0,0|2,0,0]=4 8610 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [0,1,0,1,0,0|2,0,0]=4 8611 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,1,0,1,0,0|2,0,0]=4 8612 B10R1.4 CCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210202 [0,1,0,1,0,0|2,0,0]=4 8613 B10R1.4 CN1CCCCC1CO[13CH3] 34a_100000225079_200025704644 [0,1,0,1,0,0|2,0,0]=4 8614 B10R1.4 CN1CCOCC1CO[13CH3] 34a_100013547906_200025704644 [0,1,0,1,0,0|1,0,0]=3 8615 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,1,0,1,0,0|2,0,0]=4 8616 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,1,0,1,0,0|2,0,0]=4 8617 B10R1.4 COCC1CCCCN1C 2230a_100015184032_200000210301 [0,1,0,1,0,0|2,0,0]=4 8618 B10R1.4 COCC1CCCCN1C 269982a_100015184032_200000210301 [0,1,0,1,0,0|2,0,0]=4 8619 B10R1.4 COCC1CCCCN1C 34a_100000225079_200000210301 [0,1,0,1,0,0|2,0,0]=4 8620 B10R1.4 COCC1CCCCN1C 34a_100015184032_200000210301 [0,1,0,1,0,0|2,0,0]=4 8621 B10R1.4 COCC1CCCCN1C 34a_100138415774_100015186950 [0,1,0,1,0,0|2,0,0]=4 8622 B10R1.4 COCC1CCCCN1[13CH3] 2230a_100015184032_200025704644 [0,1,0,1,0,0|2,0,0]=4 8623 B10R1.4 COCC1CCCCN1[13CH3] 269982a_100015184032_200025704644 [0,1,0,1,0,0|2,0,0]=4 8624 B10R1.4 COCC1CCCCN1[13CH3] 34a_100015184032_200025704644 [0,1,0,1,0,0|2,0,0]=4 8625 B10R1.4 COCC1COCCC1N 34a_214813039666_200000210301 [0,1,0,1,0,0|1,0,0]=3 8626 B10R1.4 COCC1COCCN1C 34a_100013547906_200000210301 [0,1,0,1,0,0|1,0,0]=3 8627 B10R1.4 COCN1CCCCC1C 2230a_100000211376_100000766300 [0,1,0,1,0,0|2,0,0]=4 8628 B10R1.4 COCN1CCCCC1C 269982a_100000211376_100000766300 [0,1,0,1,0,0|2,0,0]=4 8629 B10R1.4 COC[C@H]1COCCN1C 2230a_100016989928_200000210301 [0,1,0,1,0,0|1,0,0]=3 8630 B10R1.4 COC[C@H]1COCCN1C 269982a_100016989928_200000210301 [0,1,0,1,0,0|1,0,0]=3 8631 B10R1.4 COC[C@H]1COCCN1C 34a_100016989928_200000210301 [0,1,0,1,0,0|1,0,0]=3 8632 B10R1.4 COC[C@H]1COCCN1[13CH3] 2230a_100016989928_200025704644 [0,1,0,1,0,0|1,0,0]=3 8633 B10R1.4 COC[C@H]1COCCN1[13CH3] 269982a_100016989928_200025704644 [0,1,0,1,0,0|1,0,0]=3 8634 B10R1.4 COC[C@H]1COCCN1[13CH3] 34a_100016989928_200025704644 [0,1,0,1,0,0|1,0,0]=3 8635 B10R1.4 N[C@@H]1CCOC[C@@H]1OCF 34a_100016994285_100015361967 [0,1,0,1,0,0|2,0,0]=4 8636 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,1,0,1,0,0|2,0,0]=4 8637 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,1,0,1,0,0|2,0,0]=4 8638 B10R1.4 [13CH3]OCC1COCCC1N 34a_214813039666_200025704644 [0,1,0,1,0,0|1,0,0]=3 8639 B10R1.17 CCCCN1CCCOC1 2230a_100000131196_100000210211 [0,1,0,1,0,0|2,0,0]=4 8640 B10R1.17 CCCCN1CCCOC1 269982a_100000131196_100000210211 [0,1,0,1,0,0|2,0,0]=4 8641 B10R1.17 CCCCN1CCCOC1 34a_100000131196_100000210210 [0,1,0,1,0,0|2,0,0]=4 8642 B10R1.17 CCCCN1CCOCC1 2230a_100015191051_100000210211 [0,1,0,1,0,0|2,0,0]=4 8643 B10R1.17 CCCCN1CCOCC1 269982a_100015191051_100000210211 [0,1,0,1,0,0|2,0,0]=4 8644 B10R1.17 CCCCN1CCOCC1 34a_100015191051_100000210210 [0,1,0,1,0,0|2,0,0]=4 8645 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [0,1,0,1,0,0|2,0,0]=4 8646 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [0,1,0,1,0,0|2,0,0]=4 8647 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [0,1,0,1,0,0|2,0,0]=4 8648 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,1,0,1,0,0|2,0,0]=4 8649 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [0,1,0,1,0,0|2,0,0]=4 8650 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [0,1,0,1,0,0|2,0,0]=4 8651 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [0,1,0,1,0,0|2,0,0]=4 8652 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,1,0,1,0,0|2,0,0]=4 8653 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,1,0,1,0,0|2,0,0]=4 8654 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,1,0,1,0,0|2,0,0]=4 8655 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [0,1,0,1,0,0|2,0,0]=4 8656 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [0,1,0,1,0,0|2,0,0]=4 8657 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [0,1,0,1,0,0|2,0,0]=4 8658 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [0,1,0,1,0,0|1,0,0]=3 8659 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [0,1,0,1,0,0|1,0,0]=3 8660 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,1,0,1,0,0|2,0,0]=4 8661 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,1,0,1,0,0|2,0,0]=4 8662 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,1,0,1,0,0|2,0,0]=4 8663 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [0,1,0,1,0,0|2,0,0]=4 8664 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,1,0,1,0,0|1,0,0]=3 8665 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,1,0,1,0,0|1,0,0]=3 8666 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,1,0,1,0,0|1,0,0]=3 8667 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [0,1,0,1,0,0|2,0,0]=4 8668 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [0,1,0,1,0,0|1,0,0]=3 8669 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [0,1,0,1,0,0|1,0,0]=3 8670 B10R1.17 CCOCN1CCCOC1 269982a_100000131196_100000739092 [0,1,0,1,0,0|2,0,0]=4 8671 B10R1.17 CCOC[C@@H]1CNCCO1 34a_100015189573_100000210202 [0,1,0,1,0,0|1,0,0]=3 8672 B10R1.17 CCOC[C@@H]1COCCN1 34a_100000717676_100000210202 [0,1,0,1,0,0|1,0,0]=3 8673 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [0,1,0,1,0,0|0,0,0]=2 8674 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [0,1,0,1,0,0|1,1,0]=4 8675 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [0,1,0,1,0,0|1,1,0]=4 8676 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [0,1,0,1,0,0|1,1,0]=4 8677 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [0,1,0,1,0,0|1,1,0]=4 8678 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,1,0,1,0,0|2,0,0]=4 8679 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,1,0,1,0,0|2,0,0]=4 8680 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [0,1,0,1,0,0|2,0,0]=4 8681 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [0,1,0,1,0,0|2,0,0]=4 8682 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [0,1,0,1,0,0|2,0,0]=4 8683 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [0,1,0,1,0,0|2,0,0]=4 8684 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [0,1,0,1,0,0|2,0,0]=4 8685 B10R1.17 CNCCN1CCOCC1 2230a_106832991635_100025781966 [0,1,0,1,0,0|2,0,0]=4 8686 B10R1.17 CNCCN1CCOCC1 7a_106832991635_100000211760 [0,1,0,1,0,0|2,0,0]=4 8687 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [0,1,0,1,0,0|2,0,0]=4 8688 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [0,1,0,1,0,0|2,0,0]=4 8689 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [0,1,0,1,0,0|2,0,0]=4 8690 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [0,1,0,1,0,0|2,0,0]=4 8691 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 8692 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [0,1,0,1,0,0|2,0,0]=4 8693 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [0,1,0,1,0,0|1,0,0]=3 8694 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [0,1,0,1,0,0|1,0,0]=3 8695 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [0,1,0,1,0,0|1,0,0]=3 8696 B10R1.17 COCCC1OCCCO1 34a_100138415774_100000764188 [0,1,0,1,0,0|2,0,0]=4 8697 B10R1.17 COCCN1CC=CCC1 2230a_100000698166_100011201679 [0,1,0,1,0,0|2,0,0]=4 8698 B10R1.17 COCCN1CC=CCC1 269982a_100000698166_100000233755 [0,1,0,1,0,0|2,0,0]=4 8699 B10R1.17 COCCN1CC=CCC1 34a_100000698166_100011201679 [0,1,0,1,0,0|2,0,0]=4 8700 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [0,1,0,1,0,0|2,0,0]=4 8701 B10R1.17 COCCN1CCCOC1 2230a_100000131196_100011201679 [0,1,0,1,0,0|1,0,0]=3 8702 B10R1.17 COCCN1CCCOC1 269982a_100000131196_100000233755 [0,1,0,1,0,0|1,0,0]=3 8703 B10R1.17 COCCN1CCCOC1 34a_100000131196_100011201679 [0,1,0,1,0,0|1,0,0]=3 8704 B10R1.17 COCCN1CCOCC1 2230a_100015191051_100011201679 [0,1,0,1,0,0|1,0,0]=3 8705 B10R1.17 COCCN1CCOCC1 269982a_100015191051_100000233755 [0,1,0,1,0,0|1,0,0]=3 8706 B10R1.17 COCCN1CCOCC1 34a_100015191051_100011201679 [0,1,0,1,0,0|1,0,0]=3 8707 B10R1.17 COCCN1CCSCC1 2230a_100000737611_100011201679 [0,1,0,1,0,0|1,1,0]=4 8708 B10R1.17 COCCN1CCSCC1 269982a_100000737611_100000233755 [0,1,0,1,0,0|1,1,0]=4 8709 B10R1.17 COCCN1CCSCC1 7a_100000686052_200000210301 [0,1,0,1,0,0|1,1,0]=4 8710 B10R1.17 COCC[C@@H]1CNCCN1 34a_100016989929_200000210301 [0,1,0,1,0,0|2,0,0]=4 8711 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [0,1,0,1,0,0|2,0,0]=4 8712 B10R1.17 COCNC1CCCOC1 2230a_100000719290_100000766300 [0,1,0,1,0,0|1,0,0]=3 8713 B10R1.17 COCNC1CCOCC1 2230a_100000741149_100000766300 [0,1,0,1,0,0|2,0,0]=4 8714 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [0,1,0,1,0,0|2,0,0]=4 8715 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [0,1,0,1,0,0|2,0,0]=4 8716 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [0,1,0,1,0,0|2,0,0]=4 8717 B10R1.17 COCSC1CCCOC1 62a_100000766300_100000693364 [0,1,0,1,0,0|1,0,0]=3 8718 B10R1.17 COCSC1CCOCC1 62a_100000766300_100011324220 [0,1,0,1,0,0|2,0,0]=4 8719 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [0,1,0,1,0,0|1,1,0]=4 8720 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [0,1,0,1,0,0|1,1,0]=4 8721 B10R1.17 CSCCN1CCCOC1 2230a_100000131196_100000751147 [0,1,0,1,0,0|1,1,0]=4 8722 B10R1.17 CSCCN1CCCOC1 269982a_100000131196_100000212216 [0,1,0,1,0,0|1,1,0]=4 8723 B10R1.17 CSCCN1CCCOC1 34a_100000131196_100000212216 [0,1,0,1,0,0|1,1,0]=4 8724 B10R1.17 CSCCN1CCOCC1 2230a_100015191051_100000751147 [0,1,0,1,0,0|1,1,0]=4 8725 B10R1.17 CSCCN1CCOCC1 269982a_100015191051_100000212216 [0,1,0,1,0,0|1,1,0]=4 8726 B10R1.17 CSCCN1CCOCC1 34a_100015191051_100000212216 [0,1,0,1,0,0|1,1,0]=4 8727 B10R1.17 CSCCN1CCOCC1 62a_200000210301_100000211760 [0,1,0,1,0,0|1,1,0]=4 8728 B10R1.17 CSCNC1CCCOC1 2230a_100000719290_100011218213 [0,1,0,1,0,0|1,1,0]=4 8729 B10R1.17 CSCNC1CCCOC1 34a_100000719290_100011218213 [0,1,0,1,0,0|1,1,0]=4 8730 B10R1.17 CSCOC1CCCCO1 34a_100000033831_100011218213 [0,1,0,1,0,0|1,1,0]=4 8731 B10R1.17 CSCOC1CCCOC1 34a_100000754041_100011218213 [0,1,0,1,0,0|1,1,0]=4 8732 B10R1.17 CSCSC1CCCOC1 62a_100011218213_100000693364 [0,1,0,1,0,0|1,1,0]=4 8733 B10R1.17 FCNCC1CCCCO1 34a_100000174945_100015361967 [0,1,0,1,0,0|2,0,0]=4 8734 B10R1.17 FCNCC1CCCOC1 34a_100000720124_100015361967 [0,1,0,1,0,0|2,0,0]=4 8735 B10R1.17 FCNC[C@H]1COCCO1 34a_100010981119_100015361967 [0,1,0,1,0,0|1,0,0]=3 8736 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [0,1,0,1,0,0|2,0,0]=4 8737 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [0,1,0,1,0,0|2,0,0]=4 8738 B10R1.17 FCOCC1CCCCN1 34a_100000210821_100015361967 [0,1,0,1,0,0|2,0,0]=4 8739 B10R1.17 FCOCC1CCCCO1 34a_100000211370_100015361967 [0,1,0,1,0,0|1,0,0]=3 8740 B10R1.17 FCOCC1CCCCO1 7a_100000211370_100015361967 [0,1,0,1,0,0|1,0,0]=3 8741 B10R1.17 FCOCC1CCCNC1 34a_100000211344_100015361967 [0,1,0,1,0,0|2,0,0]=4 8742 B10R1.17 FCOCC1CCCOC1 34a_100000741520_100015361967 [0,1,0,1,0,0|1,0,0]=3 8743 B10R1.17 FCOC[C@@H]1CNCCO1 34a_100015189573_100015361967 [0,1,0,1,0,0|1,0,0]=3 8744 B10R1.17 FCOC[C@@H]1COCCN1 34a_100000717676_100015361967 [0,1,0,1,0,0|1,0,0]=3 8745 B10R1.17 FCOC[C@H]1COCCO1 34a_100009875890_100015361967 [0,1,0,1,0,0|0,0,0]=2 8746 B10R1.17 FCSCC1CCCCO1 62a_100000211543_100015361967 [0,1,0,1,0,0|1,1,0]=4 8747 B10R1.17 FCSCC1CCCCO1 62a_100015361967_100000211543 [0,1,0,1,0,0|1,1,0]=4 8748 B10R1.17 FCSCC1CCCOC1 62a_100000741521_100015361967 [0,1,0,1,0,0|1,1,0]=4 8749 B10R1.17 FCSCC1CCCOC1 62a_100015361967_100000741521 [0,1,0,1,0,0|1,1,0]=4 8750 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,1,0,1,0,0|2,0,0]=4 8751 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,1,0,1,0,0|2,0,0]=4 8752 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [0,1,0,1,0,0|2,0,0]=4 8753 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [0,1,0,1,0,0|2,0,0]=4 8754 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [0,1,0,1,0,0|2,0,0]=4 8755 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [0,1,0,1,0,0|2,0,0]=4 8756 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [0,1,0,1,0,0|2,0,0]=4 8757 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 8758 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [0,1,0,1,0,0|2,0,0]=4 8759 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [0,1,0,1,0,0|1,0,0]=3 8760 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [0,1,0,1,0,0|1,0,0]=3 8761 B10R1.17 [13CH3]OCCN1CCSCC1 7a_100000686052_200025704644 [0,1,0,1,0,0|1,1,0]=4 8762 B10R1.17 [13CH3]OCC[C@@H]1CNCCN1 34a_100016989929_200025704644 [0,1,0,1,0,0|2,0,0]=4 8763 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [0,1,0,1,0,0|1,1,0]=4 8764 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [0,1,0,1,0,0|1,1,0]=4 8765 B10R1.17 [13CH3]SCCN1CCOCC1 62a_200025704644_100000211760 [0,1,0,1,0,0|1,1,0]=4 8766 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,1,0,1,0,0|2,0,0]=4 8767 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,1,0,1,0,0|2,0,0]=4 8768 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,1,0,1,0,0|2,0,0]=4 8769 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,1,0,1,0,0|2,0,0]=4 8770 B10R1.32 CO[C@H]1CN(C[C@H]1OC)C 2230a_100103007931_200000210301 [0,1,0,1,0,0|1,0,0]=3 8771 B10R1.32 CO[C@H]1CN(C[C@H]1OC)C 269982a_100103007931_200000210301 [0,1,0,1,0,0|1,0,0]=3 8772 B10R1.32 CO[C@H]1CN(C[C@H]1OC)[13CH3] 2230a_100103007931_200025704644 [0,1,0,1,0,0|1,0,0]=3 8773 B10R1.32 CO[C@H]1CN(C[C@H]1OC)[13CH3] 269982a_100103007931_200025704644 [0,1,0,1,0,0|1,0,0]=3 8774 B10R1.143 CCC1CN(C1)CCOC 2230a_100015205115_100011201679 [0,1,0,1,0,0|2,0,0]=4 8775 B10R1.143 CCC1CN(C1)CCOC 269982a_100015205115_100000233755 [0,1,0,1,0,0|2,0,0]=4 8776 B10R1.143 CCCCN1CC(C1)OC 269982a_100000755009_100000210211 [0,1,0,1,0,0|2,0,0]=4 8777 B10R1.143 COC1CN(C1)CCSC 269982a_100000755009_100000212216 [0,1,0,1,0,0|1,1,0]=4 8778 B10R1.143 COCCN1CC(C1)OC 269982a_100000755009_100000233755 [0,1,0,1,0,0|1,0,0]=3 8779 B10R1.143 COCCN1CC(C1)SC 269982a_100016990038_100000233755 [0,1,0,1,0,0|1,1,0]=4 8780 B10R1.143 COCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000766300 [0,1,0,1,0,0|2,0,0]=4 8781 B10R1.178 CCCCC(=O)C1COC1 1458a_100000210183_100000687716 [0,1,0,1,0,0|2,0,0]=4 8782 B10R1.178 CCCCC(=O)C1COC1 1458a_100000758290_100000210211 [0,1,0,1,0,0|2,0,0]=4 8783 B10R1.178 CCCCN(C)C1COC1 2230a_100102693430_100000210211 [0,1,0,1,0,0|2,0,0]=4 8784 B10R1.178 CCCCN(C)C1COC1 269982a_100000207549_100000687716 [0,1,0,1,0,0|2,0,0]=4 8785 B10R1.178 CCCCN(C)C1COC1 269982a_100102693430_100000210211 [0,1,0,1,0,0|2,0,0]=4 8786 B10R1.178 COCCC(=O)C1CCC1 1458a_100000209988_100000233755 [0,1,0,1,0,0|2,0,0]=4 8787 B10R1.178 COCCC(=O)C1CCC1 1458a_100000749529_100000749161 [0,1,0,1,0,0|2,0,0]=4 8788 B10R1.178 COCCC(=O)C1COC1 1458a_100000749529_100000687716 [0,1,0,1,0,0|1,0,0]=3 8789 B10R1.178 COCCC(=O)C1COC1 1458a_100000758290_100000233755 [0,1,0,1,0,0|1,0,0]=3 8790 B10R1.178 COCCN(C)C1CCC1 2230a_100000758072_100011201679 [0,1,0,1,0,0|2,0,0]=4 8791 B10R1.178 COCCN(C)C1CCC1 269982a_100000743101_100000749161 [0,1,0,1,0,0|2,0,0]=4 8792 B10R1.178 COCCN(C)C1CCC1 269982a_100000758072_100000233755 [0,1,0,1,0,0|2,0,0]=4 8793 B10R1.178 COCCN(C)C1CCC1 270004a_100000743101_100000241760 [0,1,0,1,0,0|2,0,0]=4 8794 B10R1.178 COCCN(C)C1CCC1 34a_100000758072_100011201679 [0,1,0,1,0,0|2,0,0]=4 8795 B10R1.178 COCCN(C)C1COC1 2230a_100102693430_100011201679 [0,1,0,1,0,0|1,0,0]=3 8796 B10R1.178 COCCN(C)C1COC1 269982a_100000743101_100000687716 [0,1,0,1,0,0|1,0,0]=3 8797 B10R1.178 COCCN(C)C1COC1 269982a_100102693430_100000233755 [0,1,0,1,0,0|1,0,0]=3 8798 B10R1.178 CSCCC(=O)C1COC1 1458a_100000174002_100000687716 [0,1,0,1,0,0|1,1,0]=4 8799 B10R1.178 CSCCC(=O)C1COC1 1458a_100000758290_100000751147 [0,1,0,1,0,0|1,1,0]=4 8800 B10R1.178 CSCCN(C)C1COC1 2230a_100102693430_100000751147 [0,1,0,1,0,0|1,1,0]=4 8801 B10R1.178 CSCCN(C)C1COC1 269982a_100000686725_100000687716 [0,1,0,1,0,0|1,1,0]=4 8802 B10R1.178 CSCCN(C)C1COC1 269982a_100102693430_100000212216 [0,1,0,1,0,0|1,1,0]=4 8803 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,1,0,1,0,0|2,0,0]=4 8804 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,1,0,1,0,0|2,0,0]=4 8805 B10R1.180 CCCCN(C)CC1CO1 2230a_100000207549_100011216344 [0,1,0,1,0,0|2,0,0]=4 8806 B10R1.180 CCCCN(C)CC1CO1 269982a_100000207549_102125554688 [0,1,0,1,0,0|2,0,0]=4 8807 B10R1.180 CCCCN(C)C[C@@H]1CO1 269982a_100000207549_100000745022 [0,1,0,1,0,0|2,0,0]=4 8808 B10R1.180 COCCC(=O)CC1CC1 1458a_100000738066_100000233755 [0,1,0,1,0,0|2,0,0]=4 8809 B10R1.180 COCCC(=O)CC1CC1 1458a_100000749529_100000742324 [0,1,0,1,0,0|2,0,0]=4 8810 B10R1.180 COCCC(=O)CC1CO1 1458a_100000749529_100011216344 [0,1,0,1,0,0|1,0,0]=3 8811 B10R1.180 COCCC(=O)CC1CS1 1458a_100000749529_100000031435 [0,1,0,1,0,0|1,1,0]=4 8812 B10R1.180 COCCC(=O)C[C@@H]1CO1 1458a_100000749529_100000745022 [0,1,0,1,0,0|1,0,0]=3 8813 B10R1.180 COCCN(C)CC1CC1 2230a_100000741881_100011201679 [0,1,0,1,0,0|2,0,0]=4 8814 B10R1.180 COCCN(C)CC1CC1 2230a_100000743101_100000742324 [0,1,0,1,0,0|2,0,0]=4 8815 B10R1.180 COCCN(C)CC1CC1 2230a_100011232889_200000210301 [0,1,0,1,0,0|2,0,0]=4 8816 B10R1.180 COCCN(C)CC1CC1 269982a_100000741881_100000233755 [0,1,0,1,0,0|2,0,0]=4 8817 B10R1.180 COCCN(C)CC1CC1 269982a_100000743101_100000756562 [0,1,0,1,0,0|2,0,0]=4 8818 B10R1.180 COCCN(C)CC1CC1 269982a_100011232889_200000210301 [0,1,0,1,0,0|2,0,0]=4 8819 B10R1.180 COCCN(C)CC1CC1 34a_100011232889_200000210301 [0,1,0,1,0,0|2,0,0]=4 8820 B10R1.180 COCCN(C)CC1CO1 2230a_100000743101_100011216344 [0,1,0,1,0,0|1,0,0]=3 8821 B10R1.180 COCCN(C)CC1CO1 269982a_100000743101_102125554688 [0,1,0,1,0,0|1,0,0]=3 8822 B10R1.180 COCCN(C)CC1CS1 269982a_100000743101_100000031435 [0,1,0,1,0,0|1,1,0]=4 8823 B10R1.180 COCCN(C)C[C@@H]1CO1 269982a_100000743101_100000745022 [0,1,0,1,0,0|1,0,0]=3 8824 B10R1.180 COCCN([13CH3])CC1CC1 2230a_100011232889_200025704644 [0,1,0,1,0,0|2,0,0]=4 8825 B10R1.180 COCCN([13CH3])CC1CC1 269982a_100011232889_200025704644 [0,1,0,1,0,0|2,0,0]=4 8826 B10R1.180 COCCN([13CH3])CC1CC1 34a_100011232889_200025704644 [0,1,0,1,0,0|2,0,0]=4 8827 B10R1.180 CSCCC(=O)CC1CO1 1458a_100000174002_100011216344 [0,1,0,1,0,0|1,1,0]=4 8828 B10R1.180 CSCCC(=O)C[C@@H]1CO1 1458a_100000174002_100000745022 [0,1,0,1,0,0|1,1,0]=4 8829 B10R1.180 CSCCN(C)CC1CO1 2230a_100000686725_100011216344 [0,1,0,1,0,0|1,1,0]=4 8830 B10R1.180 CSCCN(C)CC1CO1 269982a_100000686725_102125554688 [0,1,0,1,0,0|1,1,0]=4 8831 B10R1.180 CSCCN(C)C[C@@H]1CO1 269982a_100000686725_100000745022 [0,1,0,1,0,0|1,1,0]=4 8832 B10R1.216 COCNC1(CCOC1)C 2230a_100000693475_100000766300 [0,1,0,1,0,0|2,0,0]=4 8833 B10R1.293 COCCC(=O)C1CC1C 1458a_100000211227_100000233755 [0,1,0,1,0,0|2,0,0]=4 8834 B10R1.5 CCC1CCCN1COC 2230a_100000754278_100000766300 [0,1,0,1,0,0|2,0,0]=4 8835 B10R1.5 CCC1CCCN1COC 269982a_100000754278_100000766300 [0,1,0,1,0,0|2,0,0]=4 8836 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [0,1,0,1,0,0|2,0,0]=4 8837 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [0,1,0,1,0,0|2,0,0]=4 8838 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [0,1,0,1,0,0|2,0,0]=4 8839 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [0,1,0,1,0,0|2,0,0]=4 8840 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [0,1,0,1,0,0|2,0,0]=4 8841 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [0,1,0,1,0,0|2,0,0]=4 8842 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [0,1,0,1,0,0|2,0,0]=4 8843 B10R1.5 COC[C@@H]1CCCN1CF 269982a_100020646714_100015361967 [0,1,0,1,0,0|2,0,0]=4 8844 B10R1.5 COC[C@@H]1CCCN1CF 34a_100020646714_100015361967 [0,1,0,1,0,0|2,0,0]=4 8845 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [0,1,0,1,0,0|2,0,0]=4 8846 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [0,1,0,1,0,0|2,0,0]=4 8847 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [0,1,0,1,0,0|2,0,0]=4 8848 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [0,1,0,1,0,0|2,0,0]=4 8849 B10R1.20 CC[C@H]1COCCN1CC 2230a_100016988097_100000210202 [0,1,0,1,0,0|2,0,0]=4 8850 B10R1.20 CC[C@H]1COCCN1CC 269982a_100016988097_100000204670 [0,1,0,1,0,0|2,0,0]=4 8851 B10R1.20 CC[C@H]1COCCN1CC 34a_100016988097_100000210202 [0,1,0,1,0,0|2,0,0]=4 8852 B10R1.20 CC[C@H]1COCCN1CF 269982a_100016988097_100015361967 [0,1,0,1,0,0|2,0,0]=4 8853 B10R1.20 CC[C@H]1COCCN1CF 34a_100016988097_100015361967 [0,1,0,1,0,0|2,0,0]=4 8854 B10R1.20 CNC1CCCCC1OC 270004a_106832991635_100000740605 [0,1,0,1,0,0|2,0,0]=4 8855 B10R1.20 CNC1CCCCC1OC 34a_100011208099_200000210301 [0,1,0,1,0,0|2,0,0]=4 8856 B10R1.20 CNC1CCOCC1OC 270004a_106832991635_100000095984 [0,1,0,1,0,0|1,0,0]=3 8857 B10R1.20 CN[C@@H]1CCCC[C@H]1OC 34a_100000708425_200000210301 [0,1,0,1,0,0|2,0,0]=4 8858 B10R1.20 CN[C@@H]1CCCC[C@H]1O[13CH3] 34a_100000708425_200025704644 [0,1,0,1,0,0|2,0,0]=4 8859 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [0,1,0,1,0,0|2,0,0]=4 8860 B10R1.20 COC1CCCCC1N[13CH3] 34a_100011208099_200025704644 [0,1,0,1,0,0|2,0,0]=4 8861 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [0,1,0,1,0,0|1,0,0]=3 8862 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [0,1,0,1,0,0|1,0,0]=3 8863 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [0,1,0,1,0,0|1,0,0]=3 8864 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [0,1,0,1,0,0|1,0,0]=3 8865 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [0,1,0,1,0,0|2,0,0]=4 8866 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [0,1,0,1,0,0|2,0,0]=4 8867 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [0,1,0,1,0,0|2,0,0]=4 8868 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [0,1,0,1,0,0|2,0,0]=4 8869 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [0,1,0,1,0,0|2,0,0]=4 8870 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,1,0,1,0,0|1,0,1]=4 8871 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [0,1,0,1,0,0|2,0,0]=4 8872 B10R1.57 BrCCCCOC1COC1 34a_100011216708_100009818527 [0,1,0,1,0,0|1,0,0]=3 8873 B10R1.57 BrCCCOCC1CCO1 34a_100011217188_100000103362 [0,1,0,1,0,0|2,0,0]=4 8874 B10R1.57 BrCCCOCC1COC1 34a_100011217188_100010264016 [0,1,0,1,0,0|2,0,0]=4 8875 B10R1.57 C#CCCCOC1COC1 34a_100000215630_100009818527 [0,1,0,1,0,0|1,0,1]=4 8876 B10R1.57 C#CCCCOC1COC1 7a_100000215630_100009818527 [0,1,0,1,0,0|1,0,1]=4 8877 B10R1.57 C#CCCOCC1CCO1 34a_100000039022_100000688953 [0,1,0,1,0,0|1,0,1]=4 8878 B10R1.57 C#CCCOCC1CCO1 34a_100011215631_100000103362 [0,1,0,1,0,0|1,0,1]=4 8879 B10R1.57 C#CCCOCC1COC1 34a_100000060846_100000688953 [0,1,0,1,0,0|1,0,1]=4 8880 B10R1.57 C#CCCOCC1COC1 34a_100011215631_100010264016 [0,1,0,1,0,0|1,0,1]=4 8881 B10R1.57 C/C=C/CCOC1CCC1 34a_100016278192_100000749161 [0,1,0,1,0,0|2,0,0]=4 8882 B10R1.57 C/C=C/CCOC1COC1 34a_100016278192_100009818527 [0,1,0,1,0,0|1,0,0]=3 8883 B10R1.57 C/C=C/COCC1CCO1 34a_100000039022_100102629194 [0,1,0,1,0,0|1,0,1]=4 8884 B10R1.57 C/C=C/COCC1CCO1 34a_100016270725_100000103362 [0,1,0,1,0,0|1,0,1]=4 8885 B10R1.57 C/C=C/COCC1COC1 34a_100000060846_100102629194 [0,1,0,1,0,0|1,0,1]=4 8886 B10R1.57 C/C=C/COCC1COC1 34a_100016270725_100010264016 [0,1,0,1,0,0|1,0,1]=4 8887 B10R1.57 C=CCCCOC1COC1 34a_100000758997_100009818527 [0,1,0,1,0,0|1,0,1]=4 8888 B10R1.57 C=CCCCOC1COC1 7a_100000758997_100009818527 [0,1,0,1,0,0|1,0,1]=4 8889 B10R1.57 C=CCCOCC1CCO1 34a_100000039022_100000754431 [0,1,0,1,0,0|1,0,1]=4 8890 B10R1.57 C=CCCOCC1CCO1 34a_100011205117_100000103362 [0,1,0,1,0,0|1,0,1]=4 8891 B10R1.57 C=CCCOCC1COC1 34a_100000060846_100000754431 [0,1,0,1,0,0|1,0,1]=4 8892 B10R1.57 C=CCCOCC1COC1 34a_100011205117_100010264016 [0,1,0,1,0,0|1,0,1]=4 8893 B10R1.57 C=COCCNC1COC1 2230a_100016991112_100000039644 [0,1,0,1,0,0|1,0,1]=4 8894 B10R1.57 C=COCCOC1CCC1 34a_100000033082_100000749161 [0,1,0,1,0,0|1,0,1]=4 8895 B10R1.57 C=COCCOC1CCC1 34a_100000748187_100000039644 [0,1,0,1,0,0|1,0,1]=4 8896 B10R1.57 C=COCCOC1COC1 34a_100000033082_100009818527 [0,1,0,1,0,0|0,0,1]=3 8897 B10R1.57 C=COCCOC1CSC1 7a_100000072292_100000039644 [0,1,0,1,0,0|0,1,1]=4 8898 B10R1.57 C=COCCSC1COC1 62a_100000039644_100009818527 [0,1,0,1,0,0|0,1,1]=4 8899 B10R1.57 CC#CCCOC1CCC1 34a_100000750427_100000749161 [0,1,0,1,0,0|2,0,0]=4 8900 B10R1.57 CC#CCCOC1COC1 34a_100000750427_100009818527 [0,1,0,1,0,0|1,0,0]=3 8901 B10R1.57 CC#CCOCC1CCO1 34a_100000039022_100000748600 [0,1,0,1,0,0|1,0,1]=4 8902 B10R1.57 CC#CCOCC1CCO1 34a_100000761923_100000103362 [0,1,0,1,0,0|1,0,1]=4 8903 B10R1.57 CC#CCOCC1COC1 34a_100000060846_100000748600 [0,1,0,1,0,0|1,0,1]=4 8904 B10R1.57 CC#CCOCC1COC1 34a_100000761923_100010264016 [0,1,0,1,0,0|1,0,1]=4 8905 B10R1.57 CC/C=C\COC1COC1 34a_100016268518_100009818527 [0,1,0,1,0,0|1,0,1]=4 8906 B10R1.57 CC=CCOCC1CCO1 34a_100000039022_100000070051 [0,1,0,1,0,0|1,0,1]=4 8907 B10R1.57 CC=CCOCC1COC1 34a_100000060846_100000070051 [0,1,0,1,0,0|1,0,1]=4 8908 B10R1.57 CCC#CCOC1COC1 34a_100000032950_100009818527 [0,1,0,1,0,0|1,0,1]=4 8909 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [0,1,0,1,0,0|2,0,0]=4 8910 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,1,0,1,0,0|2,0,0]=4 8911 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,1,0,1,0,0|2,0,0]=4 8912 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [0,1,0,1,0,0|1,0,0]=3 8913 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [0,1,0,1,0,0|1,0,0]=3 8914 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [0,1,0,1,0,0|1,1,0]=4 8915 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [0,1,0,1,0,0|1,1,0]=4 8916 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,1,0,1,0,0|2,0,0]=4 8917 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,1,0,1,0,0|2,0,0]=4 8918 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [0,1,0,1,0,0|2,0,0]=4 8919 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [0,1,0,1,0,0|2,0,0]=4 8920 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [0,1,0,1,0,0|2,0,0]=4 8921 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [0,1,0,1,0,0|2,0,0]=4 8922 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,1,0,1,0,0|2,0,0]=4 8923 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,1,0,1,0,0|2,0,0]=4 8924 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,1,0,1,0,0|2,0,0]=4 8925 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,1,0,1,0,0|2,0,0]=4 8926 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,1,0,1,0,0|2,0,0]=4 8927 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,1,0,1,0,0|1,0,0]=3 8928 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,1,0,1,0,0|1,0,0]=3 8929 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,1,0,1,0,0|1,0,0]=3 8930 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [0,1,0,1,0,0|2,0,0]=4 8931 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [0,1,0,1,0,0|1,0,0]=3 8932 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [0,1,0,1,0,0|1,0,0]=3 8933 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [0,1,0,1,0,0|1,0,0]=3 8934 B10R1.57 CCCCOCN1CCC1 269982a_100000754969_100011995733 [0,1,0,1,0,0|2,0,0]=4 8935 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,1,0,1,0,0|1,1,0]=4 8936 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,1,0,1,0,0|1,1,0]=4 8937 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [0,1,0,1,0,0|1,1,0]=4 8938 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [0,1,0,1,0,0|1,1,0]=4 8939 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [0,1,0,1,0,0|2,0,0]=4 8940 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [0,1,0,1,0,0|2,0,0]=4 8941 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [0,1,0,1,0,0|2,0,0]=4 8942 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [0,1,0,1,0,0|2,0,0]=4 8943 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [0,1,0,1,0,0|2,0,0]=4 8944 B10R1.57 CCOCCNC1COC1 2230a_100016991112_100011215890 [0,1,0,1,0,0|1,0,0]=3 8945 B10R1.57 CCOCCNC1COC1 34a_102516460346_100009818527 [0,1,0,1,0,0|1,0,0]=3 8946 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [0,1,0,1,0,0|1,0,0]=3 8947 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [0,1,0,1,0,0|1,0,0]=3 8948 B10R1.57 CCOCCOC1COC1 34a_100000210136_100009818527 [0,1,0,1,0,0|0,0,0]=2 8949 B10R1.57 CCOCCOC1COC1 7a_100000210136_100009818527 [0,1,0,1,0,0|0,0,0]=2 8950 B10R1.57 CCOCCOC1CSC1 7a_100000072292_100011215890 [0,1,0,1,0,0|0,1,0]=3 8951 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [0,1,0,1,0,0|1,1,0]=4 8952 B10R1.57 CCOCCSC1COC1 62a_100000210147_100009818527 [0,1,0,1,0,0|0,1,0]=3 8953 B10R1.57 CCOCSCC1COC1 62a_100000739092_100010264016 [0,1,0,1,0,0|2,0,0]=4 8954 B10R1.57 CCOCSCC1COC1 62a_100010264016_100000739092 [0,1,0,1,0,0|2,0,0]=4 8955 B10R1.57 CCSCCNC1COC1 2230a_100016991112_100000757381 [0,1,0,1,0,0|1,1,0]=4 8956 B10R1.57 CCSCCOC1CCC1 34a_100000212035_100000749161 [0,1,0,1,0,0|1,1,0]=4 8957 B10R1.57 CCSCCOC1CCC1 34a_100000748187_100000757381 [0,1,0,1,0,0|1,1,0]=4 8958 B10R1.57 CCSCCOC1COC1 34a_100000212035_100009818527 [0,1,0,1,0,0|0,1,0]=3 8959 B10R1.57 CCSCCOC1COC1 7a_100000212035_100009818527 [0,1,0,1,0,0|0,1,0]=3 8960 B10R1.57 CCSCCOC1CSC1 7a_100000072292_100000757381 [0,1,0,1,0,0|0,2,0]=4 8961 B10R1.57 CCSCCSC1COC1 62a_100000757381_100009818527 [0,1,0,1,0,0|0,2,0]=4 8962 B10R1.57 CNCCCOC1CCC1 34a_100000213112_100000749161 [0,1,0,1,0,0|2,0,0]=4 8963 B10R1.57 CNCCCOC1COC1 34a_100000213112_100009818527 [0,1,0,1,0,0|1,0,0]=3 8964 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [0,1,0,1,0,0|2,0,0]=4 8965 B10R1.57 COCCCNC1CCC1 2230a_100000749019_100000740836 [0,1,0,1,0,0|2,0,0]=4 8966 B10R1.57 COCCCNC1CCC1 270004a_100150723488_100000241760 [0,1,0,1,0,0|2,0,0]=4 8967 B10R1.57 COCCCNC1CCC1 34a_100000749019_100000740836 [0,1,0,1,0,0|2,0,0]=4 8968 B10R1.57 COCCCNC1CCC1 34a_100150723488_100000749161 [0,1,0,1,0,0|2,0,0]=4 8969 B10R1.57 COCCCNC1COC1 2230a_100016991112_100000740836 [0,1,0,1,0,0|1,0,0]=3 8970 B10R1.57 COCCCNC1COC1 34a_100150723488_100009818527 [0,1,0,1,0,0|1,0,0]=3 8971 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [0,1,0,1,0,0|1,0,0]=3 8972 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [0,1,0,1,0,0|1,0,0]=3 8973 B10R1.57 COCCCOC1COC1 34a_100000740835_100009818527 [0,1,0,1,0,0|0,0,0]=2 8974 B10R1.57 COCCCOC1CSC1 7a_100000072292_100000740836 [0,1,0,1,0,0|0,1,0]=3 8975 B10R1.57 COCCCSC1CCC1 62a_100000709357_100000749161 [0,1,0,1,0,0|1,1,0]=4 8976 B10R1.57 COCCCSC1COC1 62a_100000709357_100009818527 [0,1,0,1,0,0|0,1,0]=3 8977 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [0,1,0,1,0,0|2,0,0]=4 8978 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [0,1,0,1,0,0|2,0,0]=4 8979 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [0,1,0,1,0,0|2,0,0]=4 8980 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [0,1,0,1,0,0|2,0,0]=4 8981 B10R1.57 COCCNCC1CCO1 2230a_100000209980_100000103362 [0,1,0,1,0,0|1,0,0]=3 8982 B10R1.57 COCCNCC1COC1 2230a_100000209980_100010264016 [0,1,0,1,0,0|1,0,0]=3 8983 B10R1.57 COCCNCC1COC1 2230a_100015281925_100011201679 [0,1,0,1,0,0|1,0,0]=3 8984 B10R1.57 COCCNCC1COC1 34a_100015281925_100011201679 [0,1,0,1,0,0|1,0,0]=3 8985 B10R1.57 COCCNC[C@@H]1CCO1 2230a_100020831831_100011201679 [0,1,0,1,0,0|1,0,0]=3 8986 B10R1.57 COCCNC[C@@H]1CCO1 34a_100020831831_100011201679 [0,1,0,1,0,0|1,0,0]=3 8987 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [0,1,0,1,0,0|1,0,0]=3 8988 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [0,1,0,1,0,0|1,0,0]=3 8989 B10R1.57 COCCOCC1CCO1 34a_100000039022_100011201679 [0,1,0,1,0,0|0,0,0]=2 8990 B10R1.57 COCCOCC1CCO1 34a_100000210237_100000103362 [0,1,0,1,0,0|0,0,0]=2 8991 B10R1.57 COCCOCC1CNC1 34a_100016987283_100011201679 [0,1,0,1,0,0|1,0,0]=3 8992 B10R1.57 COCCOCC1COC1 34a_100000060846_100011201679 [0,1,0,1,0,0|0,0,0]=2 8993 B10R1.57 COCCOCC1COC1 34a_100000210237_100010264016 [0,1,0,1,0,0|0,0,0]=2 8994 B10R1.57 COCCOCN1CCC1 269982a_100000754969_100000231047 [0,1,0,1,0,0|1,0,0]=3 8995 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [0,1,0,1,0,0|1,1,0]=4 8996 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [0,1,0,1,0,0|1,1,0]=4 8997 B10R1.57 COCCSCC1CCO1 62a_100000103362_100000233755 [0,1,0,1,0,0|0,1,0]=3 8998 B10R1.57 COCCSCC1CCO1 62a_100000233755_100000103362 [0,1,0,1,0,0|0,1,0]=3 8999 B10R1.57 COCCSCC1COC1 62a_100000233755_100010264016 [0,1,0,1,0,0|0,1,0]=3 9000 B10R1.57 COCCSCC1COC1 62a_100010264016_100000233755 [0,1,0,1,0,0|0,1,0]=3 9001 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [0,1,0,1,0,0|1,1,0]=4 9002 B10R1.57 CSCCCOC1COC1 34a_100000690336_100009818527 [0,1,0,1,0,0|0,1,0]=3 9003 B10R1.57 CSCCCOC1COC1 7a_100000690336_100009818527 [0,1,0,1,0,0|0,1,0]=3 9004 B10R1.57 CSCCNCC1CCO1 2230a_100020590264_100000103362 [0,1,0,1,0,0|1,1,0]=4 9005 B10R1.57 CSCCNCC1COC1 2230a_100015281925_100000751147 [0,1,0,1,0,0|1,1,0]=4 9006 B10R1.57 CSCCNCC1COC1 2230a_100020590264_100010264016 [0,1,0,1,0,0|1,1,0]=4 9007 B10R1.57 CSCCNCC1COC1 34a_100015281925_100000212216 [0,1,0,1,0,0|1,1,0]=4 9008 B10R1.57 CSCCNC[C@@H]1CCO1 2230a_100020831831_100000751147 [0,1,0,1,0,0|1,1,0]=4 9009 B10R1.57 CSCCNC[C@@H]1CCO1 34a_100020831831_100000212216 [0,1,0,1,0,0|1,1,0]=4 9010 B10R1.57 CSCCOCC1CCC1 34a_100000230434_100000763275 [0,1,0,1,0,0|1,1,0]=4 9011 B10R1.57 CSCCOCC1CCC1 34a_100000760304_100000212216 [0,1,0,1,0,0|1,1,0]=4 9012 B10R1.57 CSCCOCC1CCC1 7a_100000230434_100000763275 [0,1,0,1,0,0|1,1,0]=4 9013 B10R1.57 CSCCOCC1CCO1 34a_100000039022_100000212216 [0,1,0,1,0,0|0,1,0]=3 9014 B10R1.57 CSCCOCC1CCO1 34a_100000230434_100000103362 [0,1,0,1,0,0|0,1,0]=3 9015 B10R1.57 CSCCOCC1CCO1 7a_100000230434_100000103362 [0,1,0,1,0,0|0,1,0]=3 9016 B10R1.57 CSCCOCC1CNC1 34a_100016987283_100000212216 [0,1,0,1,0,0|1,1,0]=4 9017 B10R1.57 CSCCOCC1COC1 34a_100000060846_100000212216 [0,1,0,1,0,0|0,1,0]=3 9018 B10R1.57 CSCCOCC1COC1 34a_100000230434_100010264016 [0,1,0,1,0,0|0,1,0]=3 9019 B10R1.57 CSCCOCC1COC1 7a_100000230434_100010264016 [0,1,0,1,0,0|0,1,0]=3 9020 B10R1.57 CSCCSCC1CCO1 62a_100000103362_100000751147 [0,1,0,1,0,0|0,2,0]=4 9021 B10R1.57 CSCCSCC1CCO1 62a_100000212216_100000103362 [0,1,0,1,0,0|0,2,0]=4 9022 B10R1.57 CSCCSCC1COC1 62a_100000212216_100010264016 [0,1,0,1,0,0|0,2,0]=4 9023 B10R1.57 CSCCSCC1COC1 62a_100010264016_100000751147 [0,1,0,1,0,0|0,2,0]=4 9024 B10R1.57 CSCOCCC1COC1 34a_100009855314_100011218213 [0,1,0,1,0,0|1,1,0]=4 9025 B10R1.57 ClCC#CCOC1COC1 34a_200000047223_100009818527 [0,1,0,1,0,0|1,0,1]=4 9026 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [0,1,0,1,0,0|2,0,0]=4 9027 B10R1.57 ClCCCCOC1COC1 34a_100000210776_100009818527 [0,1,0,1,0,0|1,0,0]=3 9028 B10R1.57 ClCCCCOC1COC1 7a_100000210776_100009818527 [0,1,0,1,0,0|1,0,0]=3 9029 B10R1.57 ClCCCOCC1CCO1 34a_100000230001_100000103362 [0,1,0,1,0,0|2,0,0]=4 9030 B10R1.57 ClCCCOCC1COC1 34a_100000230001_100010264016 [0,1,0,1,0,0|2,0,0]=4 9031 B10R1.57 FCCCCNC1COC1 2230a_100016991112_100000729493 [0,1,0,1,0,0|2,0,0]=4 9032 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [0,1,0,1,0,0|2,0,0]=4 9033 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [0,1,0,1,0,0|2,0,0]=4 9034 B10R1.57 FCCCCOC1COC1 34a_100011995726_100009818527 [0,1,0,1,0,0|1,0,0]=3 9035 B10R1.57 FCCCCOC1COC1 7a_100011995726_100009818527 [0,1,0,1,0,0|1,0,0]=3 9036 B10R1.57 FCCCCOC1CSC1 7a_100000072292_100000729493 [0,1,0,1,0,0|1,1,0]=4 9037 B10R1.57 FCCCCSC1COC1 62a_100000729493_100009818527 [0,1,0,1,0,0|1,1,0]=4 9038 B10R1.57 FCCCOCC1CCO1 34a_100000039022_100011934791 [0,1,0,1,0,0|2,0,0]=4 9039 B10R1.57 FCCCOCC1CCO1 34a_100000759539_100000103362 [0,1,0,1,0,0|2,0,0]=4 9040 B10R1.57 FCCCOCC1COC1 34a_100000060846_100011934791 [0,1,0,1,0,0|2,0,0]=4 9041 B10R1.57 FCCCOCC1COC1 34a_100000759539_100010264016 [0,1,0,1,0,0|2,0,0]=4 9042 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [0,1,0,1,0,0|2,0,0]=4 9043 B10R1.57 ICCCCOC1COC1 34a_200012148704_100009818527 [0,1,0,1,0,0|1,0,0]=3 9044 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [0,1,0,1,0,0|2,0,0]=4 9045 B10R1.57 NCCCCOC1COC1 34a_100000750430_100009818527 [0,1,0,1,0,0|1,0,0]=3 9046 B10R1.57 NCCCOCC1CCO1 34a_100000182051_100000103362 [0,1,0,1,0,0|2,0,0]=4 9047 B10R1.57 NCCCOCC1COC1 34a_100000182051_100010264016 [0,1,0,1,0,0|2,0,0]=4 9048 B10R1.57 NOCCOCC1CCC1 34a_100000700252_100000763275 [0,1,0,1,0,0|2,0,0]=4 9049 B10R1.57 NOCCOCC1CCO1 34a_100000700252_100000103362 [0,1,0,1,0,0|1,0,0]=3 9050 B10R1.57 NOCCOCC1COC1 34a_100000700252_100010264016 [0,1,0,1,0,0|1,0,0]=3 9051 B10R1.57 OCCCCNC1COC1 2230a_100016991112_100000210776 [0,1,0,1,0,0|2,0,0]=4 9052 B10R1.57 OCCCCNC1COC1 34a_100000750430_100009818527 [0,1,0,1,0,0|2,0,0]=4 9053 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [0,1,0,1,0,0|2,0,0]=4 9054 B10R1.57 OCCCCOC1CSC1 7a_100000072292_100000210776 [0,1,0,1,0,0|1,1,0]=4 9055 B10R1.57 OCCCCSC1COC1 62a_100000210776_100009818527 [0,1,0,1,0,0|1,1,0]=4 9056 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,1,0,1,0,0|2,0,0]=4 9057 B10R1.57 OCCCOCC1COC1 34a_100000060846_100000230001 [0,1,0,1,0,0|2,0,0]=4 9058 B10R1.132 CCCN1CCC1COC 2230a_100015195929_100000210303 [0,1,0,1,0,0|2,0,0]=4 9059 B10R1.132 CCCN1CCC1COC 269982a_100015195929_100000210303 [0,1,0,1,0,0|2,0,0]=4 9060 B10R1.132 CCCN1CCC1COC 34a_100015195929_100000210303 [0,1,0,1,0,0|2,0,0]=4 9061 B10R1.132 COCC1CCN1COC 2230a_100015195929_100000766300 [0,1,0,1,0,0|1,0,0]=3 9062 B10R1.132 COCC1CCN1COC 269982a_100015195929_100000766300 [0,1,0,1,0,0|1,0,0]=3 9063 B10R1.132 COCC1CCN1CSC 2230a_100015195929_100011218213 [0,1,0,1,0,0|1,1,0]=4 9064 B10R1.132 COCC1CCN1CSC 269982a_100015195929_100011218213 [0,1,0,1,0,0|1,1,0]=4 9065 B10R1.132 COCC1CCN1CSC 34a_100015195929_100011218213 [0,1,0,1,0,0|1,1,0]=4 9066 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|2,0,0]=4 9067 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|2,0,0]=4 9068 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|2,0,0]=4 9069 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|2,0,0]=4 9070 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,1,0,1,0,0|2,0,0]=4 9071 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,1,0,1,0,0|2,0,0]=4 9072 B10R1.1 COC[C@@H]1CN[C@H](CN1)C 34a_100160570299_200000210301 [0,1,0,1,0,0|2,0,0]=4 9073 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,1,0,1,0,0|2,0,0]=4 9074 B10R1.1 C[C@H]1CN[C@@H](CN1)CO[13CH3] 34a_100160570299_200025704644 [0,1,0,1,0,0|2,0,0]=4 9075 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,1,0,1,0,0|2,0,0]=4 9076 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,1,0,1,0,0|2,0,0]=4 9077 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,1,0,1,0,0|2,0,0]=4 9078 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,1,0,1,0,0|2,0,0]=4 9079 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,1,0,1,0,0|2,0,0]=4 9080 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,1,0,0|2,0,0]=4 9081 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,1,0,0|2,0,0]=4 9082 B10R1.15 CC(O[13CH3])C1CCCNC1 34a_100000740858_200025704644 [0,1,0,1,0,0|2,0,0]=4 9083 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,1,0,1,0,0|1,0,1]=4 9084 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,1,0,1,0,0|1,0,1]=4 9085 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,1,0,1,0,0|1,0,1]=4 9086 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,1,0,1,0,0|1,0,1]=4 9087 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,1,0,1,0,0|1,0,1]=4 9088 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,1,0,0|2,0,0]=4 9089 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,1,0,0|2,0,0]=4 9090 B10R1.15 COC(C)C1CCCNC1 34a_100000740858_200000210301 [0,1,0,1,0,0|2,0,0]=4 9091 B10R1.15 COC(C)N1CCCOC1 269982a_100000131196_100009879195 [0,1,0,1,0,0|2,0,0]=4 9092 B10R1.27 COC(C)SC1CCOC1 62a_100009879195_100000690089 [0,1,0,1,0,0|2,0,0]=4 9093 B10R1.70 C#CCCOCC1(CO1)C 34a_100011215631_100000760498 [0,1,0,1,0,0|1,0,1]=4 9094 B10R1.70 C/C=C/COCC1(CO1)C 34a_100016270725_100000760498 [0,1,0,1,0,0|1,0,1]=4 9095 B10R1.70 C=CCCOCC1(CO1)C 34a_100011205117_100000760498 [0,1,0,1,0,0|1,0,1]=4 9096 B10R1.70 CC#CCOCC1(CO1)C 34a_100000761923_100000760498 [0,1,0,1,0,0|1,0,1]=4 9097 B10R1.70 CC1(CO1)COCCCBr 34a_100011217188_100000760498 [0,1,0,1,0,0|2,0,0]=4 9098 B10R1.70 CC1(CO1)COCCCCl 34a_100000230001_100000760498 [0,1,0,1,0,0|2,0,0]=4 9099 B10R1.70 CC1(CO1)COCCCF 34a_100000759539_100000760498 [0,1,0,1,0,0|2,0,0]=4 9100 B10R1.70 CC1(CO1)COCCCN 34a_100000182051_100000760498 [0,1,0,1,0,0|2,0,0]=4 9101 B10R1.70 CC1(CO1)COCCON 34a_100000700252_100000760498 [0,1,0,1,0,0|1,0,0]=3 9102 B10R1.70 CCCCOCC1(CC1)C 7a_100000698024_100000210211 [0,1,0,1,0,0|2,0,0]=4 9103 B10R1.70 CCCCOCC1(CC1)F 34a_200000703853_100000210210 [0,1,0,1,0,0|2,0,0]=4 9104 B10R1.70 CCCCOCC1(CC1)F 7a_200000703853_100000210211 [0,1,0,1,0,0|2,0,0]=4 9105 B10R1.70 CCCCOCC1(CO1)C 34a_100000210227_100000760498 [0,1,0,1,0,0|1,0,0]=3 9106 B10R1.70 CCCCSCC1(CO1)C 62a_100000210211_100000760498 [0,1,0,1,0,0|1,1,0]=4 9107 B10R1.70 CCCCSCC1(CO1)C 62a_100000760498_100000210210 [0,1,0,1,0,0|1,1,0]=4 9108 B10R1.70 COCCNCC1(CC1)C 2230a_100000766693_100011201679 [0,1,0,1,0,0|2,0,0]=4 9109 B10R1.70 COCCNCC1(CC1)O 2230a_100011936951_100011201679 [0,1,0,1,0,0|2,0,0]=4 9110 B10R1.70 COCCOCC1(CC1)C 7a_100000698024_100000233755 [0,1,0,1,0,0|1,0,0]=3 9111 B10R1.70 COCCOCC1(CC1)F 34a_200000703853_100011201679 [0,1,0,1,0,0|1,0,0]=3 9112 B10R1.70 COCCOCC1(CC1)F 7a_200000703853_100000233755 [0,1,0,1,0,0|1,0,0]=3 9113 B10R1.70 COCCOCC1(CO1)C 34a_100000210237_100000760498 [0,1,0,1,0,0|0,0,0]=2 9114 B10R1.70 COCCSCC1(CO1)C 62a_100000233755_100000760498 [0,1,0,1,0,0|0,1,0]=3 9115 B10R1.70 COCCSCC1(CO1)C 62a_100000760498_100000233755 [0,1,0,1,0,0|0,1,0]=3 9116 B10R1.70 CSCCOCC1(CC1)C 7a_100000698024_100000212216 [0,1,0,1,0,0|1,1,0]=4 9117 B10R1.70 CSCCOCC1(CC1)F 34a_200000703853_100000212216 [0,1,0,1,0,0|1,1,0]=4 9118 B10R1.70 CSCCOCC1(CC1)F 7a_200000703853_100000212216 [0,1,0,1,0,0|1,1,0]=4 9119 B10R1.70 CSCCOCC1(CO1)C 34a_100000230434_100000760498 [0,1,0,1,0,0|0,1,0]=3 9120 B10R1.70 CSCCSCC1(CO1)C 62a_100000212216_100000760498 [0,1,0,1,0,0|0,2,0]=4 9121 B10R1.70 CSCCSCC1(CO1)C 62a_100000760498_100000751147 [0,1,0,1,0,0|0,2,0]=4 9122 B10R1.149 CO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_200000210301 [0,1,0,1,0,0|2,0,0]=4 9123 B10R1.149 C[C@H](O[13CH3])[C@@H]1CCCN1C 34a_100160487421_200025704644 [0,1,0,1,0,0|2,0,0]=4 9124 B10R1.151 C=CC(C)COC1COC1 34a_100011215527_100009818527 [0,1,0,1,0,0|1,0,1]=4 9125 B10R1.151 C=CC(C)COC1COC1 7a_100011215527_100009818527 [0,1,0,1,0,0|1,0,1]=4 9126 B10R1.151 C=C[C@H](N)COC1COC1 34a_100016989147_100009818527 [0,1,0,1,0,0|1,0,1]=4 9127 B10R1.151 CC(CN)COC1COC1 34a_100000744482_100009818527 [0,1,0,1,0,0|2,0,0]=4 9128 B10R1.151 CCC(=O)COC1COC1 34a_100000725409_100009818527 [0,1,0,1,0,0|1,0,1]=4 9129 B10R1.151 CCC(C)CNC1COC1 2230a_100016991112_100000748023 [0,1,0,1,0,0|2,0,0]=4 9130 B10R1.151 CCC(C)CNC1COC1 270004a_100016991112_100000243153 [0,1,0,1,0,0|2,0,0]=4 9131 B10R1.151 CCC(C)COC1CCC1 34a_100000748187_100000748023 [0,1,0,1,0,0|2,0,0]=4 9132 B10R1.151 CCC(C)COC1CSC1 7a_100000072292_100000748023 [0,1,0,1,0,0|1,1,0]=4 9133 B10R1.151 CCC(C)CSC1COC1 62a_100000748023_100009818527 [0,1,0,1,0,0|1,1,0]=4 9134 B10R1.151 CCC(O)CNC1COC1 2230a_100016991112_100011218378 [0,1,0,1,0,0|2,0,0]=4 9135 B10R1.151 CCC(O)COC1CCC1 34a_100000748187_100011218378 [0,1,0,1,0,0|2,0,0]=4 9136 B10R1.151 CCC(O)COC1CSC1 7a_100000072292_100011218378 [0,1,0,1,0,0|1,1,0]=4 9137 B10R1.151 CCC(O)CSC1COC1 62a_100011218378_100009818527 [0,1,0,1,0,0|1,1,0]=4 9138 B10R1.151 CC[C@H](C)CNC1COC1 2230a_100016991112_100009816398 [0,1,0,1,0,0|2,0,0]=4 9139 B10R1.151 CC[C@H](C)COC1CCC1 34a_100000748187_100009816398 [0,1,0,1,0,0|2,0,0]=4 9140 B10R1.151 CC[C@H](C)COC1COC1 7a_100009816381_100009818527 [0,1,0,1,0,0|1,0,0]=3 9141 B10R1.151 CC[C@H](C)COC1CSC1 7a_100000072292_100009816398 [0,1,0,1,0,0|1,1,0]=4 9142 B10R1.151 CC[C@H](C)CSC1COC1 62a_100009816398_100009818527 [0,1,0,1,0,0|1,1,0]=4 9143 B10R1.151 CNC(=O)COC1COC1 34a_100000750040_100009818527 [0,1,0,1,0,0|1,0,1]=4 9144 B10R1.151 COC(=O)CNC1COC1 2230a_100016991112_100000747449 [0,1,0,1,0,0|1,0,1]=4 9145 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|1,0,1]=4 9146 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [0,1,0,1,0,0|0,1,1]=4 9147 B10R1.151 COC(=O)CSC1COC1 62a_100000747449_100009818527 [0,1,0,1,0,0|0,1,1]=4 9148 B10R1.151 COC(C)COC1CCC1 34a_100000690652_100000749161 [0,1,0,1,0,0|1,0,0]=3 9149 B10R1.151 COC(C)COC1COC1 34a_100000690652_100009818527 [0,1,0,1,0,0|0,0,0]=2 9150 B10R1.151 COC(C)SCC1COC1 62a_100009879195_100010264016 [0,1,0,1,0,0|2,0,0]=4 9151 B10R1.151 COC(C)SCC1COC1 62a_100010264016_100009879195 [0,1,0,1,0,0|2,0,0]=4 9152 B10R1.151 CO[C@H](C)CNC1CCC1 270004a_100020591295_100000241760 [0,1,0,1,0,0|2,0,0]=4 9153 B10R1.151 ClCC(Cl)COC1COC1 34a_100000033668_100009818527 [0,1,0,1,0,0|2,0,0]=4 9154 B10R1.151 NC[C@@H](F)COC1COC1 34a_100015665980_100009818527 [0,1,0,1,0,0|2,0,0]=4 9155 B10R1.153 C=CC(C)COCC1CO1 34a_100011215527_102125554688 [0,1,0,1,0,0|1,0,1]=4 9156 B10R1.153 C=CC(C)COCC1CO1 7a_100011215527_102125554688 [0,1,0,1,0,0|1,0,1]=4 9157 B10R1.153 C=CC(C)COC[C@@H]1CO1 7a_100011215527_100000745022 [0,1,0,1,0,0|1,0,1]=4 9158 B10R1.153 C=CC(O)COC[C@@H]1CO1 34a_100000757423_100000730141 [0,1,0,1,0,0|1,0,1]=4 9159 B10R1.153 C=C[C@H](N)COCC1CO1 34a_100016989147_102125554688 [0,1,0,1,0,0|1,0,1]=4 9160 B10R1.153 CC(CN)COCC1CO1 34a_100000744482_102125554688 [0,1,0,1,0,0|2,0,0]=4 9161 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [0,1,0,1,0,0|1,0,1]=4 9162 B10R1.153 CCC(C)CNCC1CO1 2230a_100020588543_100011216344 [0,1,0,1,0,0|2,0,0]=4 9163 B10R1.153 CCC(C)COCC1CC1 34a_100000211283_100000748023 [0,1,0,1,0,0|2,0,0]=4 9164 B10R1.153 CCC(C)COC[C@@H]1CO1 34a_100000757423_100000748023 [0,1,0,1,0,0|1,0,0]=3 9165 B10R1.153 CCC(C)CSCC1CO1 62a_100000748023_102125554688 [0,1,0,1,0,0|1,1,0]=4 9166 B10R1.153 CCC(C)CSCC1CO1 62a_102125554688_100000748023 [0,1,0,1,0,0|1,1,0]=4 9167 B10R1.153 CCC(C)CSC[C@@H]1CO1 62a_100000745022_100000748023 [0,1,0,1,0,0|1,1,0]=4 9168 B10R1.153 CCC(C)CSC[C@@H]1CO1 62a_100000748023_100000745022 [0,1,0,1,0,0|1,1,0]=4 9169 B10R1.153 CCC(O)CNCC1CO1 2230a_100011218483_100011216344 [0,1,0,1,0,0|2,0,0]=4 9170 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [0,1,0,1,0,0|2,0,0]=4 9171 B10R1.153 CCC(O)COC[C@@H]1CO1 34a_100000757423_100011218378 [0,1,0,1,0,0|1,0,0]=3 9172 B10R1.153 CCC(O)CSCC1CO1 62a_100011218378_102125554688 [0,1,0,1,0,0|1,1,0]=4 9173 B10R1.153 CCC(O)CSCC1CO1 62a_102125554688_100011218378 [0,1,0,1,0,0|1,1,0]=4 9174 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100000745022_100011218378 [0,1,0,1,0,0|1,1,0]=4 9175 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100011218378_100000745022 [0,1,0,1,0,0|1,1,0]=4 9176 B10R1.153 CC[C@H](C)COCC1CC1 34a_100000211283_100009816398 [0,1,0,1,0,0|2,0,0]=4 9177 B10R1.153 CC[C@H](C)COCC1CC1 7a_100009816381_100000742324 [0,1,0,1,0,0|2,0,0]=4 9178 B10R1.153 CC[C@H](C)COCC1CO1 7a_100009816381_102125554688 [0,1,0,1,0,0|1,0,0]=3 9179 B10R1.153 CC[C@H](C)COCC1CS1 7a_100009816381_100000031435 [0,1,0,1,0,0|1,1,0]=4 9180 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 34a_100000757423_100009816398 [0,1,0,1,0,0|1,0,0]=3 9181 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 7a_100009816381_100000745022 [0,1,0,1,0,0|1,0,0]=3 9182 B10R1.153 CC[C@H](C)CSCC1CO1 62a_100009816398_102125554688 [0,1,0,1,0,0|1,1,0]=4 9183 B10R1.153 CC[C@H](C)CSCC1CO1 62a_102125554688_100009816398 [0,1,0,1,0,0|1,1,0]=4 9184 B10R1.153 CC[C@H](C)CSC[C@@H]1CO1 62a_100000745022_100009816398 [0,1,0,1,0,0|1,1,0]=4 9185 B10R1.153 CC[C@H](C)CSC[C@@H]1CO1 62a_100009816398_100000745022 [0,1,0,1,0,0|1,1,0]=4 9186 B10R1.153 CNC(=O)COCC1CO1 34a_100000750040_102125554688 [0,1,0,1,0,0|1,0,1]=4 9187 B10R1.153 CNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183359 [0,1,0,1,0,0|1,0,1]=4 9188 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|1,0,1]=4 9189 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,1,0,1,0,0|0,0,1]=3 9190 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,1,0,1,0,0|0,1,1]=4 9191 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,1,0,1,0,0|0,1,1]=4 9192 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,1,0,1,0,0|0,1,1]=4 9193 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,1,0,1,0,0|0,1,1]=4 9194 B10R1.153 COC(C)COCC1CC1 34a_100000690652_100000742324 [0,1,0,1,0,0|1,0,0]=3 9195 B10R1.153 COC(C)COCC1CO1 34a_100000690652_102125554688 [0,1,0,1,0,0|0,0,0]=2 9196 B10R1.153 COC(C)SCCC1CO1 62a_100000732470_100009879195 [0,1,0,1,0,0|2,0,0]=4 9197 B10R1.153 COC(C)SCCC1CO1 62a_100009879195_100000732470 [0,1,0,1,0,0|2,0,0]=4 9198 B10R1.153 CO[C@H](C)CNCC1CC1 2230a_100020591295_100000742324 [0,1,0,1,0,0|2,0,0]=4 9199 B10R1.153 CO[C@H](C)CNCC1CC1 269862a_100020591295_100000741477 [0,1,0,1,0,0|2,0,0]=4 9200 B10R1.153 CO[C@H](C)CNCC1CO1 2230a_100020591295_100011216344 [0,1,0,1,0,0|1,0,0]=3 9201 B10R1.153 C[C@@H](CO)COC[C@@H]1CO1 34a_100000757423_100000059175 [0,1,0,1,0,0|2,0,0]=4 9202 B10R1.153 ClCC(Cl)COCC1CO1 34a_100000033668_102125554688 [0,1,0,1,0,0|2,0,0]=4 9203 B10R1.153 NC[C@@H](F)COCC1CO1 34a_100015665980_102125554688 [0,1,0,1,0,0|2,0,0]=4 9204 B10R1.153 OCC(O)COC[C@@H]1CO1 34a_100000757423_100011219619 [0,1,0,1,0,0|2,0,0]=4 9205 B10R1.153 OC[C@H](O)COC[C@@H]1CO1 34a_100000757423_100009815848 [0,1,0,1,0,0|2,0,0]=4 9206 B10R1.153 O[C@@H](CF)COC[C@@H]1CO1 34a_100000757423_100015614560 [0,1,0,1,0,0|2,0,0]=4 9207 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,1,0,1,0,0|2,0,0]=4 9208 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,1,0,1,0,0|2,0,0]=4 9209 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011201679 [0,1,0,1,0,0|2,0,0]=4 9210 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000233755 [0,1,0,1,0,0|2,0,0]=4 9211 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [0,1,0,1,0,0|2,0,0]=4 9212 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [0,1,0,1,0,0|2,0,0]=4 9213 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [0,1,0,1,0,0|2,0,0]=4 9214 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [0,1,0,1,0,0|2,0,0]=4 9215 B10R2.161 COC1C2CCC1CC2 34a_100138415774_100009813300 [0,0,0,2,0,0|2,0,0]=4 9216 B10R2.172 COCC1C2C1CNC2 34a_100000045132_200000210301 [0,0,0,2,0,0|2,0,0]=4 9217 B10R2.172 [13CH3]OCC1C2C1CNC2 34a_100000045132_200025704644 [0,0,0,2,0,0|2,0,0]=4 9218 B10R2.99 COC1CC2CCC1C2 34a_100000211339_200000210301 [0,0,0,2,0,0|2,0,0]=4 9219 B10R2.99 COC1CC2CCC1C2 34a_100138415774_100000727232 [0,0,0,2,0,0|2,0,0]=4 9220 B10R2.99 [13CH3]OC1CC2CCC1C2 34a_100000211339_200025704644 [0,0,0,2,0,0|2,0,0]=4 9221 B10R2.136 C1CCN(C1)C2COC2 269982a_100000188435_100000687716 [0,0,0,2,0,0|2,0,0]=4 9222 B10R2.136 C1CN(CS1)C2COC2 269982a_100011215254_100000687716 [0,0,0,2,0,0|1,1,0]=4 9223 B10R2.193 C1CCN(C1)CC2CO2 2230a_100000188435_100011216344 [0,0,0,2,0,0|2,0,0]=4 9224 B10R2.193 C1CCN(C1)CC2CO2 269982a_100000188435_102125554688 [0,0,0,2,0,0|2,0,0]=4 9225 B10R2.193 C1CCN(C1)C[C@@H]2CO2 269982a_100000188435_100000745022 [0,0,0,2,0,0|2,0,0]=4 9226 B10R2.193 C1CN(CS1)CC2CO2 2230a_100011215254_100011216344 [0,0,0,2,0,0|1,1,0]=4 9227 B10R2.193 C1CN(CS1)CC2CO2 269982a_100011215254_102125554688 [0,0,0,2,0,0|1,1,0]=4 9228 B10R2.193 C1CN(CS1)C[C@@H]2CO2 269982a_100011215254_100000745022 [0,0,0,2,0,0|1,1,0]=4 9229 B10R2.41 CN1C2CCC1COC2 2230a_100015205251_200000210301 [0,0,0,2,0,0|2,0,0]=4 9230 B10R2.41 CN1C2CCC1COC2 269982a_100015205251_200000210301 [0,0,0,2,0,0|2,0,0]=4 9231 B10R2.41 CN1C2CCC1COC2 34a_100015205251_200000210301 [0,0,0,2,0,0|2,0,0]=4 9232 B10R2.41 [13CH3]N1C2CCC1COC2 2230a_100015205251_200025704644 [0,0,0,2,0,0|2,0,0]=4 9233 B10R2.41 [13CH3]N1C2CCC1COC2 269982a_100015205251_200025704644 [0,0,0,2,0,0|2,0,0]=4 9234 B10R2.41 [13CH3]N1C2CCC1COC2 34a_100015205251_200025704644 [0,0,0,2,0,0|2,0,0]=4 9235 B10R2.192 C1CC(C1)NC2COC2 270004a_100016991112_100000241760 [0,0,0,2,0,0|2,0,0]=4 9236 B10R2.192 C1CC(C1)NC2COC2 34a_100000749019_100009818527 [0,0,0,2,0,0|2,0,0]=4 9237 B10R2.192 C1CC(C1)OC2CCC2 34a_100000748187_100000749161 [0,0,0,2,0,0|2,0,0]=4 9238 B10R2.192 C1CC(C1)OC2COC2 34a_100000748187_100009818527 [0,0,0,2,0,0|1,0,0]=3 9239 B10R2.192 C1OCC1OC2CSC2 7a_100000072292_100009818527 [0,0,0,2,0,0|0,1,0]=3 9240 B10R2.324 CC1CCN1C2COC2 269982a_100000755817_100000687716 [0,0,0,2,0,0|2,0,0]=4 9241 B10R2.324 CC1CCN1C2COC2 34a_100000755817_100009818527 [0,0,0,2,0,0|2,0,0]=4 9242 B10R2.411 C1CC(C1)NCC2CO2 2230a_100000749019_100011216344 [0,0,0,2,0,0|2,0,0]=4 9243 B10R2.411 C1CC(C1)NCC2CO2 34a_100000749019_102125554688 [0,0,0,2,0,0|2,0,0]=4 9244 B10R2.411 C1CC(C1)OCC2CC2 34a_100000211283_100000749161 [0,0,0,2,0,0|2,0,0]=4 9245 B10R2.411 C1CC(C1)OCC2CC2 34a_100000748187_100000742324 [0,0,0,2,0,0|2,0,0]=4 9246 B10R2.411 C1CC(C1)OCC2CO2 34a_100000748187_102125554688 [0,0,0,2,0,0|1,0,0]=3 9247 B10R2.411 C1CC(C1)OC[C@@H]2CO2 34a_100000757423_100000749161 [0,0,0,2,0,0|1,0,0]=3 9248 B10R2.411 C1CC(C1)SCC2CO2 62a_102125554688_100000749161 [0,0,0,2,0,0|1,1,0]=4 9249 B10R2.411 C1CC(C1)SC[C@@H]2CO2 62a_100000745022_100000749161 [0,0,0,2,0,0|1,1,0]=4 9250 B10R2.411 C1CC1CNC2COC2 2230a_100016991112_100000742324 [0,0,0,2,0,0|2,0,0]=4 9251 B10R2.411 C1CC1CNC2COC2 269862a_100016991112_100000741477 [0,0,0,2,0,0|2,0,0]=4 9252 B10R2.411 C1CC1CNC2COC2 34a_100000735609_100009818527 [0,0,0,2,0,0|2,0,0]=4 9253 B10R2.411 C1CC1COC2COC2 34a_100000211283_100009818527 [0,0,0,2,0,0|1,0,0]=3 9254 B10R2.411 C1CC1COC2CSC2 7a_100000072292_100000742324 [0,0,0,2,0,0|1,1,0]=4 9255 B10R2.411 C1CC1CSC2COC2 62a_100000756562_100009818527 [0,0,0,2,0,0|1,1,0]=4 9256 B10R2.411 C1OC1COC2CSC2 7a_100000072292_102125554688 [0,0,0,2,0,0|0,1,0]=3 9257 B10R2.411 C1OC1CSC2COC2 62a_102125554688_100009818527 [0,0,0,2,0,0|0,1,0]=3 9258 B10R2.411 C1OCC1NCC2CO2 2230a_100016991112_100011216344 [0,0,0,2,0,0|1,0,0]=3 9259 B10R2.411 C1OCC1OCC2CO2 34a_100000757423_100009818527 [0,0,0,2,0,0|0,0,0]=2 9260 B10R2.411 C1OCC1SCC2CS2 62a_100000031435_100009818527 [0,0,0,2,0,0|0,2,0]=4 9261 B10R2.411 C1OCC1SC[C@@H]2CO2 62a_100000745022_100009818527 [0,0,0,2,0,0|0,1,0]=3 9262 B10R2.411 C1SCC1OCC2CS2 7a_100000072292_100000031435 [0,0,0,2,0,0|0,2,0]=4 9263 B10R2.411 C1SCC1OC[C@@H]2CO2 7a_100000072292_100000745022 [0,0,0,2,0,0|0,1,0]=3 9264 B10R2.27 CC1CCN1CC2CO2 269982a_100000755817_102125554688 [0,0,0,2,0,0|2,0,0]=4 9265 B10R2.27 CC1CCN1CC2CO2 34a_100000755817_102125554688 [0,0,0,2,0,0|2,0,0]=4 9266 B10R2.27 CC1CCN1C[C@@H]2CO2 269982a_100000755817_100000745022 [0,0,0,2,0,0|2,0,0]=4 9267 B10R2.410 C(OC[C@@H]1CO1)C2CO2 34a_100000757423_102125554688 [0,0,0,2,0,0|0,0,0]=2 9268 B10R2.410 C(SC[C@@H]1CO1)C2CS2 62a_100000031435_100000745022 [0,0,0,2,0,0|0,2,0]=4 9269 B10R2.410 C(SC[C@@H]1CO1)C2CS2 62a_100000745022_100000031435 [0,0,0,2,0,0|0,2,0]=4 9270 B10R2.410 C1CC1CNCC2CO2 2230a_100000735609_100011216344 [0,0,0,2,0,0|2,0,0]=4 9271 B10R2.410 C1CC1CNCC2CO2 34a_100000735609_102125554688 [0,0,0,2,0,0|2,0,0]=4 9272 B10R2.410 C1CC1COCC2CC2 34a_100000211283_100000742324 [0,0,0,2,0,0|2,0,0]=4 9273 B10R2.410 C1CC1COCC2CO2 34a_100000211283_102125554688 [0,0,0,2,0,0|1,0,0]=3 9274 B10R2.410 C1CC1COC[C@@H]2CO2 34a_100000757423_100000742324 [0,0,0,2,0,0|1,0,0]=3 9275 B10R2.410 C1CC1CSCC2CO2 62a_100000756562_102125554688 [0,0,0,2,0,0|1,1,0]=4 9276 B10R2.410 C1CC1CSCC2CO2 62a_102125554688_100000742324 [0,0,0,2,0,0|1,1,0]=4 9277 B10R2.410 C1CC1CSC[C@@H]2CO2 62a_100000745022_100000742324 [0,0,0,2,0,0|1,1,0]=4 9278 B10R2.410 C1CC1CSC[C@@H]2CO2 62a_100000756562_100000745022 [0,0,0,2,0,0|1,1,0]=4 9279 B10R2.410 C1OC1CSCC2CO2 62a_102125554688_102125554688 [0,0,0,2,0,0|0,1,0]=3 9280 B10R2.410 C1OC1CSCC2CS2 62a_100000031435_102125554688 [0,0,0,2,0,0|0,2,0]=4 9281 B10R2.410 C1OC1CSCC2CS2 62a_102125554688_100000031435 [0,0,0,2,0,0|0,2,0]=4 9282 B10R2.410 C1OC1CSC[C@@H]2CO2 62a_100000745022_102125554688 [0,0,0,2,0,0|0,1,0]=3 9283 B10R2.410 C1OC1CSC[C@@H]2CO2 62a_102125554688_100000745022 [0,0,0,2,0,0|0,1,0]=3 9284 B10R2.410 C1O[C@@H]1CSC[C@@H]2CO2 62a_100000745022_100000745022 [0,0,0,2,0,0|0,1,0]=3