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|3,0,1]=4 4 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [0,0,0,0,0,0|1,0,3]=4 16 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [0,0,0,0,0,0|1,0,3]=4 17 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [0,0,0,0,0,0|1,0,3]=4 18 B8R0.4 C#CCCCCOCF 34a_100000766709_100015361967 [0,0,0,0,0,0|1,0,3]=4 19 B8R0.4 C#CCCCCOCF 7a_100000766709_100015361967 [0,0,0,0,0,0|1,0,3]=4 20 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.4 C#CCNCCOC=C 34a_100000212058_100000039644 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.4 C#CCOCCOC=C 34a_100000033082_100000184674 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.4 C#CCOCCOC=C 34a_100000210247_100000039644 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.4 C#CCSCCOC=C 62a_100000038162_100000039644 [0,0,0,0,0,0|2,0,2]=4 52 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,0,0,0,0,0|3,0,0]=3 54 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [0,0,0,0,0,0|4,0,0]=4 55 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,0,0,0,0,0|3,0,0]=3 58 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,0,0,0,0,0|3,0,0]=3 61 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,0,0,0,0,0|3,0,0]=3 62 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [0,0,0,0,0,0|4,0,0]=4 64 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [0,0,0,0,0,0|4,0,0]=4 65 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [0,0,0,0,0,0|4,0,0]=4 66 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [0,0,0,0,0,0|4,0,0]=4 67 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [0,0,0,0,0,0|4,0,0]=4 68 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [0,0,0,0,0,0|4,0,0]=4 69 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [0,0,0,0,0,0|4,0,0]=4 70 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [0,0,0,0,0,0|4,0,0]=4 71 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [0,0,0,0,0,0|4,0,0]=4 72 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [0,0,0,0,0,0|4,0,0]=4 73 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [0,0,0,0,0,0|4,0,0]=4 76 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [0,0,0,0,0,0|4,0,0]=4 77 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,0,0,0,0,0|4,0,0]=4 79 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [0,0,0,0,0,0|4,0,0]=4 80 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [0,0,0,0,0,0|4,0,0]=4 81 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [0,0,0,0,0,0|4,0,0]=4 82 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [0,0,0,0,0,0|4,0,0]=4 83 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [0,0,0,0,0,0|4,0,0]=4 84 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,0,0,0,0,0|3,0,0]=3 86 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,0,0,0,0,0|3,0,0]=3 87 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,0,0,0,0,0|3,0,0]=3 88 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,0,0,0,0,0|3,0,0]=3 89 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,0,0,0,0,0|3,0,0]=3 90 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,0,0,0,0,0|3,0,0]=3 91 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,0,0,0,0,0|3,0,0]=3 92 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,0,0,0,0,0|3,0,0]=3 93 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,0,0,0,0,0|3,0,0]=3 94 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,0,0,0,0,0|3,0,0]=3 95 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,0,0,0,0,0|3,0,0]=3 96 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,0,0,0,0,0|3,0,0]=3 97 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,0,0,0,0,0|3,0,0]=3 98 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,0,0,0,0,0|3,0,0]=3 99 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,0,0,0,0,0|3,0,0]=3 100 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,0,0,0,0,0|3,0,0]=3 102 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,0,0,0,0,0|3,0,0]=3 103 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,0,0,0,0,0|3,0,0]=3 104 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [0,0,0,0,0,0|1,0,3]=4 105 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [0,0,0,0,0,0|1,0,3]=4 106 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,0,0,0,0,0|3,0,0]=3 107 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,0,0,0,0,0|3,0,0]=3 108 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [0,0,0,0,0,0|4,0,0]=4 109 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [0,0,0,0,0,0|4,0,0]=4 110 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [0,0,0,0,0,0|2,0,2]=4 111 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,0,0,0,0,0|3,0,0]=3 114 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [0,0,0,0,0,0|4,0,0]=4 115 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [0,0,0,0,0,0|4,0,0]=4 116 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [0,0,0,0,0,0|4,0,0]=4 117 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,0,0,0,0,0|4,0,0]=4 118 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,0,0,0,0,0|4,0,0]=4 119 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,0,0,0,0,0|4,0,0]=4 120 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,0,0,0,0,0|4,0,0]=4 121 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [0,0,0,0,0,0|4,0,0]=4 122 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [0,0,0,0,0,0|4,0,0]=4 123 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [0,0,0,0,0,0|4,0,0]=4 124 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [0,0,0,0,0,0|2,0,2]=4 125 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [0,0,0,0,0,0|2,0,2]=4 126 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [0,0,0,0,0,0|4,0,0]=4 127 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,0,0,0,0,0|3,0,0]=3 128 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,0,0,0,0,0|3,0,0]=3 129 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,0,0,0,0,0|3,0,0]=3 130 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [0,0,0,0,0,0|4,0,0]=4 131 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [0,0,0,0,0,0|4,0,0]=4 132 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [0,0,0,0,0,0|4,0,0]=4 133 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,0,0,0,0,0|4,0,0]=4 134 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,0,0,0,0,0|4,0,0]=4 135 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [0,0,0,0,0,0|4,0,0]=4 136 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [0,0,0,0,0,0|2,0,2]=4 137 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,0,0,0,0,0|3,0,0]=3 139 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,0,0,0,0,0|3,0,0]=3 140 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,0,0,0,0,0|4,0,0]=4 141 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,0,0,0,0,0|4,0,0]=4 142 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,0,0,0,0,0|4,0,0]=4 143 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,0,0,0,0,0|4,0,0]=4 144 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,0,0,0,0,0|4,0,0]=4 145 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,0,0,0,0,0|4,0,0]=4 146 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,0,0,0,0,0|4,0,0]=4 147 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,0,0,0,0,0|4,0,0]=4 148 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,0,0,0,0,0|3,0,0]=3 149 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,0,0,0,0,0|3,0,0]=3 150 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,0,0,0,0,0|3,0,0]=3 151 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [0,0,0,0,0,0|4,0,0]=4 152 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [0,0,0,0,0,0|4,0,0]=4 153 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [0,0,0,0,0,0|4,0,0]=4 154 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,0,0,0,0,0|4,0,0]=4 155 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [0,0,0,0,0,0|4,0,0]=4 156 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [0,0,0,0,0,0|4,0,0]=4 157 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,0,0,0,0,0|4,0,0]=4 158 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,0,0,0,0,0|4,0,0]=4 159 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [0,0,0,0,0,0|4,0,0]=4 160 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,0,0,0,0,0|3,0,0]=3 161 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,0,0,0,0,0|3,0,0]=3 162 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,0,0,0,0,0|3,0,0]=3 163 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [0,0,0,0,0,0|4,0,0]=4 164 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [0,0,0,0,0,0|4,0,0]=4 165 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [0,0,0,0,0,0|4,0,0]=4 166 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [0,0,0,0,0,0|4,0,0]=4 167 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,0,0,0,0,0|4,0,0]=4 168 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [0,0,0,0,0,0|4,0,0]=4 169 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [0,0,0,0,0,0|4,0,0]=4 170 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,0,0,0,0,0|4,0,0]=4 171 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,0,0,0,0,0|4,0,0]=4 172 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,0,0,0,0,0|4,0,0]=4 173 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,0,0,0,0,0|3,0,0]=3 174 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,0,0,0,0,0|3,0,0]=3 175 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,0,0,0,0,0|4,0,0]=4 176 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,0,0,0,0,0|4,0,0]=4 177 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,0,0,0,0,0|4,0,0]=4 178 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,0,0,0,0,0|4,0,0]=4 179 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,0,0,0,0,0|4,0,0]=4 180 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,0,0,0,0,0|4,0,0]=4 181 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,0,0,0,0,0|4,0,0]=4 182 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,0,0,0,0,0|4,0,0]=4 183 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [0,0,0,0,0,0|4,0,0]=4 184 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [0,0,0,0,0,0|4,0,0]=4 185 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [0,0,0,0,0,0|2,0,2]=4 186 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,0,0,0,0,0|3,0,0]=3 187 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,0,0,0,0,0|3,0,0]=3 188 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [0,0,0,0,0,0|4,0,0]=4 189 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [0,0,0,0,0,0|4,0,0]=4 190 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [0,0,0,0,0,0|4,0,0]=4 191 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [0,0,0,0,0,0|4,0,0]=4 192 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [0,0,0,0,0,0|4,0,0]=4 193 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [0,0,0,0,0,0|4,0,0]=4 194 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,0,0,0,0,0|4,0,0]=4 195 B8R0.4 C=CCNCCOC=C 2230a_100020586998_100000039644 [0,0,0,0,0,0|2,0,2]=4 196 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [0,0,0,0,0,0|4,0,0]=4 197 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [0,0,0,0,0,0|4,0,0]=4 198 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [0,0,0,0,0,0|4,0,0]=4 199 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [0,0,0,0,0,0|4,0,0]=4 200 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [0,0,0,0,0,0|4,0,0]=4 201 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [0,0,0,0,0,0|4,0,0]=4 202 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,0,0,0,0,0|3,0,0]=3 203 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,0,0,0,0,0|3,0,0]=3 204 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,0,0,0,0,0|3,0,0]=3 205 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [0,0,0,0,0,0|4,0,0]=4 206 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [0,0,0,0,0,0|4,0,0]=4 207 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [0,0,0,0,0,0|4,0,0]=4 208 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [0,0,0,0,0,0|4,0,0]=4 209 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [0,0,0,0,0,0|4,0,0]=4 210 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [0,0,0,0,0,0|4,0,0]=4 211 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [0,0,0,0,0,0|4,0,0]=4 212 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,0,0,0,0,0|4,0,0]=4 213 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [0,0,0,0,0,0|4,0,0]=4 214 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [0,0,0,0,0,0|4,0,0]=4 215 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [0,0,0,0,0,0|4,0,0]=4 216 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,0,0,0,0,0|4,0,0]=4 217 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,0,0,0,0,0|4,0,0]=4 218 B8R0.4 C=CCOCCOC=C 34a_100000033082_100015514636 [0,0,0,0,0,0|2,0,2]=4 219 B8R0.4 C=CCOCCOC=C 34a_200000210373_100000039644 [0,0,0,0,0,0|2,0,2]=4 220 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [0,0,0,0,0,0|4,0,0]=4 221 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [0,0,0,0,0,0|4,0,0]=4 222 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [0,0,0,0,0,0|4,0,0]=4 223 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [0,0,0,0,0,0|4,0,0]=4 224 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [0,0,0,0,0,0|4,0,0]=4 225 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [0,0,0,0,0,0|4,0,0]=4 226 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [0,0,0,0,0,0|4,0,0]=4 227 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [0,0,0,0,0,0|4,0,0]=4 228 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [0,0,0,0,0,0|2,0,2]=4 229 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [0,0,0,0,0,0|2,0,2]=4 230 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,0,0,0,0,0|3,0,0]=3 231 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,0,0,0,0,0|3,0,0]=3 232 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,0,0,0,0,0|4,0,0]=4 233 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,0,0,0,0,0|4,0,0]=4 234 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,0,0,0,0,0|4,0,0]=4 235 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,0,0,0,0,0|4,0,0]=4 236 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,0,0,0,0,0|4,0,0]=4 237 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,0,0,0,0,0|4,0,0]=4 238 B8R0.4 C=CCSCCOC=C 62a_100000039644_100000210623 [0,0,0,0,0,0|2,0,2]=4 239 B8R0.4 C=CCSCCOC=C 62a_100000210623_100000039644 [0,0,0,0,0,0|2,0,2]=4 240 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [0,0,0,0,0,0|4,0,0]=4 241 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [0,0,0,0,0,0|4,0,0]=4 242 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [0,0,0,0,0,0|4,0,0]=4 243 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [0,0,0,0,0,0|4,0,0]=4 244 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,0,0,0,0,0|2,0,0]=2 245 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,0,0,0,0,0|2,0,0]=2 246 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,0,0,0,0,0|2,0,0]=2 247 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,0,0,0,0,0|2,0,0]=2 248 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,0,0,0,0,0|2,0,0]=2 249 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,0,0,0,0,0|2,0,0]=2 250 B8R0.4 C=COCCCNCF 34a_100000210767_100015361967 [0,0,0,0,0,0|3,0,0]=3 251 B8R0.4 C=COCCNCCF 34a_100000724931_100000039644 [0,0,0,0,0,0|3,0,0]=3 252 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [0,0,0,0,0,0|3,0,0]=3 253 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [0,0,0,0,0,0|3,0,0]=3 254 B8R0.4 C=COCCOCC=O 34a_100000033082_200009817547 [0,0,0,0,0,0|3,0,1]=4 255 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [0,0,0,0,0,0|3,0,0]=3 256 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,0,0,0,0,0|2,0,0]=2 257 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,0,0,0,0,0|2,0,0]=2 258 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [0,0,0,0,0,0|3,0,0]=3 259 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [0,0,0,0,0,0|3,0,0]=3 260 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [0,0,0,0,0,0|3,0,0]=3 261 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [0,0,0,0,0,0|3,0,0]=3 262 B8R0.4 C=COCCSCC#N 62a_100000039644_100011215382 [0,0,0,0,0,0|3,0,1]=4 263 B8R0.4 C=COCCSCC#N 62a_100011215382_100000039644 [0,0,0,0,0,0|3,0,1]=4 264 B8R0.4 C=COCCSCC=O 62a_100000039644_200015260668 [0,0,0,0,0,0|3,0,1]=4 265 B8R0.4 C=COCCSCC=O 62a_200015260668_100000039644 [0,0,0,0,0,0|3,0,1]=4 266 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,0,0,0,0,0|2,0,0]=2 267 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,0,0,0,0,0|2,0,0]=2 268 B8R0.4 C=COCCSCCF 62a_100000039644_100011217306 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.4 C=COCCSCCF 62a_100011217306_100000039644 [0,0,0,0,0,0|3,0,0]=3 270 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [0,0,0,0,0,0|3,0,0]=3 271 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [0,0,0,0,0,0|3,0,0]=3 272 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [0,0,0,0,0,0|3,0,0]=3 273 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [0,0,0,0,0,0|3,0,0]=3 274 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [0,0,0,0,0,0|3,0,0]=3 275 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [0,0,0,0,0,0|3,0,0]=3 276 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [0,0,0,0,0,0|2,0,2]=4 277 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [0,0,0,0,0,0|3,0,1]=4 278 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [0,0,0,0,0,0|3,0,1]=4 279 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [0,0,0,0,0,0|3,0,1]=4 280 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [0,0,0,0,0,0|3,0,1]=4 281 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [0,0,0,0,0,0|3,0,1]=4 282 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [0,0,0,0,0,0|3,0,1]=4 283 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [0,0,0,0,0,0|3,0,1]=4 284 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [0,0,0,0,0,0|3,0,1]=4 285 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [0,0,0,0,0,0|3,0,1]=4 286 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [0,0,0,0,0,0|3,0,1]=4 287 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [0,0,0,0,0,0|1,0,3]=4 288 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [0,0,0,0,0,0|1,0,3]=4 289 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [0,0,0,0,0,0|1,0,3]=4 290 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [0,0,0,0,0,0|1,0,3]=4 291 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [0,0,0,0,0,0|1,0,3]=4 292 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [0,0,0,0,0,0|2,0,2]=4 293 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [0,0,0,0,0,0|2,0,2]=4 294 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [0,0,0,0,0,0|2,0,2]=4 295 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [0,0,0,0,0,0|3,0,1]=4 296 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,0,0,0,0,0|3,0,0]=3 297 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [0,0,0,0,0,0|1,0,3]=4 298 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,0,0,0,0,0|3,0,0]=3 299 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,0,0,0,0,0|3,0,0]=3 300 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [0,0,0,0,0,0|4,0,0]=4 301 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [0,0,0,0,0,0|4,0,0]=4 302 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [0,0,0,0,0,0|4,0,0]=4 303 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [0,0,0,0,0,0|4,0,0]=4 304 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [0,0,0,0,0,0|4,0,0]=4 305 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,0,0,0,0,0|3,0,0]=3 306 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,0,0,0,0,0|3,0,0]=3 307 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [0,0,0,0,0,0|4,0,0]=4 308 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [0,0,0,0,0,0|4,0,0]=4 309 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [0,0,0,0,0,0|4,0,0]=4 310 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [0,0,0,0,0,0|4,0,0]=4 311 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [0,0,0,0,0,0|4,0,0]=4 312 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [0,0,0,0,0,0|4,0,0]=4 313 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,0,0,0,0,0|3,0,0]=3 314 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,0,0,0,0,0|3,0,0]=3 315 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [0,0,0,0,0,0|4,0,0]=4 316 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [0,0,0,0,0,0|4,0,0]=4 317 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,0,0,0,0,0|4,0,0]=4 318 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,0,0,0,0,0|4,0,0]=4 319 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [0,0,0,0,0,0|4,0,0]=4 320 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [0,0,0,0,0,0|4,0,0]=4 321 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [0,0,0,0,0,0|4,0,0]=4 322 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [0,0,0,0,0,0|4,0,0]=4 323 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [0,0,0,0,0,0|4,0,0]=4 324 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [0,0,0,0,0,0|4,0,0]=4 325 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,0,0,0,0,0|3,0,0]=3 326 B8R0.4 CC=NNCCOCC 4a_100000732670_200000210099 [0,0,0,0,0,0|4,0,0]=4 327 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [0,0,0,0,0,0|1,0,3]=4 328 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [0,0,0,0,0,0|1,0,3]=4 329 B8R0.4 CCC#CCCOCF 34a_100000036655_100015361967 [0,0,0,0,0,0|1,0,3]=4 330 B8R0.4 CCC#CCCOCF 7a_100000036655_100015361967 [0,0,0,0,0,0|1,0,3]=4 331 B8R0.4 CCC#CCOCC=O 34a_100000032950_200009817547 [0,0,0,0,0,0|2,0,2]=4 332 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [0,0,0,0,0,0|2,0,2]=4 333 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [0,0,0,0,0,0|2,0,2]=4 334 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [0,0,0,0,0,0|1,0,3]=4 335 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [0,0,0,0,0,0|1,0,3]=4 336 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [0,0,0,0,0,0|1,0,3]=4 337 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [0,0,0,0,0,0|1,0,3]=4 338 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [0,0,0,0,0,0|1,0,3]=4 339 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [0,0,0,0,0,0|1,0,3]=4 340 B8R0.4 CCCC#CCOCF 34a_100000034806_100015361967 [0,0,0,0,0,0|1,0,3]=4 341 B8R0.4 CCCC#CCOCF 7a_100000034806_100015361967 [0,0,0,0,0,0|1,0,3]=4 342 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,0,0,0,0,0|3,0,0]=3 343 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,0,0,0,0,0|3,0,0]=3 344 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,0,0,0,0,0|3,0,0]=3 345 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,0,0,0,0,0|3,0,0]=3 346 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,0,0,0,0,0|3,0,0]=3 347 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,0,0,0,0,0|3,0,0]=3 348 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,0,0,0,0,0|3,0,0]=3 349 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,0,0,0,0,0|3,0,0]=3 350 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,0,0,0,0,0|3,0,0]=3 351 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,0,0,0,0,0|3,0,0]=3 352 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,0,0,0,0,0|3,0,0]=3 353 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,0,0,0,0,0|3,0,0]=3 354 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,0,0,0,0,0|3,0,0]=3 355 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,0,0,0,0,0|3,0,0]=3 356 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,0,0,0,0,0|2,0,1]=3 357 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,0,0,0,0,0|2,0,1]=3 358 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,0,0,0,0,0|1,0,1]=2 359 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,0,0,0,0,0|1,0,1]=2 360 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,0,0,0,0,0|1,0,1]=2 361 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,0,0,0,0,0|1,0,1]=2 362 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,0,0,0,0,0|1,0,1]=2 363 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,0,0,0,0,0|1,1,1]=3 364 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,0,0,0,0,0|1,1,1]=3 365 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,0,0,0,0,0|1,1,1]=3 366 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,0,0,0,0,0|1,1,1]=3 367 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [0,0,0,0,0,0|3,0,1]=4 368 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,0,0,0,0,0|2,0,0]=2 369 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,0,0,0,0,0|3,0,1]=4 370 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,0,0,0,0,0|3,0,1]=4 371 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,0,0,0,0,0|3,0,1]=4 372 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,0,0,0,0,0|2,0,2]=4 373 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,0,0,0,0,0|2,0,2]=4 374 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,0,0,0,0,0|2,0,2]=4 375 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,0,0,0,0,0|4,0,0]=4 376 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,0,0,0,0,0|4,0,0]=4 377 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [0,0,0,0,0,0|3,0,1]=4 378 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,0,0,0,0,0|2,0,0]=2 379 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,0,0,0,0,0|2,0,0]=2 380 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [0,0,0,0,0,0|3,0,1]=4 381 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [0,0,0,0,0,0|3,0,1]=4 382 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [0,0,0,0,0,0|3,0,1]=4 383 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [0,0,0,0,0,0|3,0,1]=4 384 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [0,0,0,0,0,0|3,0,1]=4 385 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [0,0,0,0,0,0|3,0,1]=4 386 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [0,0,0,0,0,0|3,0,1]=4 387 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [0,0,0,0,0,0|2,0,2]=4 388 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [0,0,0,0,0,0|2,0,2]=4 389 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,0,0,0,0,0|4,0,0]=4 390 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [0,0,0,0,0,0|3,0,1]=4 391 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [0,0,0,0,0,0|3,0,1]=4 392 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,0,0,0,0,0|2,0,0]=2 393 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,0,0,0,0,0|2,0,0]=2 394 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,0,0,0,0,0|3,0,1]=4 395 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,0,0,0,0,0|3,0,1]=4 396 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,0,0,0,0,0|3,0,1]=4 397 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,0,0,0,0,0|3,0,1]=4 398 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,0,0,0,0,0|2,0,2]=4 399 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,0,0,0,0,0|2,0,2]=4 400 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,0,0,0,0,0|4,0,0]=4 401 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,0,0,0,0,0|4,0,0]=4 402 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,0,0,0,0,0|4,0,0]=4 403 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,0,0,0,0,0|4,0,0]=4 404 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [0,0,0,0,0,0|3,0,1]=4 405 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [0,0,0,0,0,0|3,0,1]=4 406 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,0,0,0,0,0|3,0,1]=4 407 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,0,0,0,0,0|3,0,1]=4 408 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,0,0,0,0,0|3,0,1]=4 409 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,0,0,0,0,0|3,0,1]=4 410 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,0,0,0,0,0|3,0,1]=4 411 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,0,0,0,0,0|3,0,1]=4 412 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,0,0,0,0,0|2,0,2]=4 413 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,0,0,0,0,0|2,0,2]=4 414 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,0,0,0,0,0|4,0,0]=4 415 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,0,0,0,0,0|4,0,0]=4 416 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,0,0,0,0,0|4,0,0]=4 417 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,0,0,0,0,0|4,0,0]=4 418 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,0,0,0,0,0|4,0,0]=4 419 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,0,0,0,0,0|4,0,0]=4 420 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [0,0,0,0,0,0|3,0,1]=4 421 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [0,0,0,0,0,0|3,0,1]=4 422 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [0,0,0,0,0,0|3,0,1]=4 423 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [0,0,0,0,0,0|3,0,1]=4 424 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [0,0,0,0,0,0|3,0,1]=4 425 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [0,0,0,0,0,0|3,0,1]=4 426 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [0,0,0,0,0,0|3,0,1]=4 427 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [0,0,0,0,0,0|3,0,1]=4 428 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [0,0,0,0,0,0|3,0,1]=4 429 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,0,0,0,0,0|2,0,2]=4 430 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,0,0,0,0,0|2,0,2]=4 431 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [0,0,0,0,0,0|4,0,0]=4 432 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [0,0,0,0,0,0|4,0,0]=4 433 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [0,0,0,0,0,0|4,0,0]=4 434 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [0,0,0,0,0,0|4,0,0]=4 435 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [0,0,0,0,0,0|4,0,0]=4 436 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [0,0,0,0,0,0|4,0,0]=4 437 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [0,0,0,0,0,0|4,0,0]=4 438 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [0,0,0,0,0,0|4,0,0]=4 439 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [0,0,0,0,0,0|4,0,0]=4 440 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [0,0,0,0,0,0|4,0,0]=4 441 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [0,0,0,0,0,0|4,0,0]=4 442 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [0,0,0,0,0,0|4,0,0]=4 443 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,0,0,0,0,0|4,0,0]=4 444 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,0,0,0,0,0|4,0,0]=4 445 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,0,0,0,0,0|4,0,0]=4 446 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,0,0,0,0,0|4,0,0]=4 447 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,0,0,0,0,0|4,0,0]=4 448 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,0,0,0,0,0|4,0,0]=4 449 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,0,0,0,0,0|4,0,0]=4 450 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,0,0,0,0,0|4,0,0]=4 451 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,0,0,0,0,0|3,0,1]=4 452 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [0,0,0,0,0,0|2,0,1]=3 453 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,0,0,0,0,0|2,1,1]=4 454 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,0,0,0,0,0|2,1,1]=4 455 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [0,0,0,0,0,0|2,1,1]=4 456 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [0,0,0,0,0,0|2,1,1]=4 457 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [0,0,0,0,0,0|3,0,1]=4 458 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [0,0,0,0,0,0|3,0,1]=4 459 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,0,0,0,0,0|3,0,1]=4 460 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,0,0,0,0,0|3,0,1]=4 461 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,0,0,0,0,0|3,0,1]=4 462 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,0,0,0,0,0|2,0,2]=4 463 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,0,0,0,0,0|2,0,2]=4 464 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,0,0,0,0,0|4,0,0]=4 465 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,0,0,0,0,0|4,0,0]=4 466 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,0,0,0,0,0|4,0,0]=4 467 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,0,0,0,0,0|4,0,0]=4 468 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,0,0,0,0,0|4,0,0]=4 469 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,0,0,0,0,0|4,0,0]=4 470 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,0,0,0,0,0|4,0,0]=4 471 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,0,0,0,0,0|4,0,0]=4 472 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,0,0,0,0,0|4,0,0]=4 473 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,0,0,0,0,0|4,0,0]=4 474 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,0,0,0,0,0|2,0,1]=3 475 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,0,0,0,0,0|2,0,1]=3 476 B8R0.4 CCCCSCSC#N 62a_100000210211_100000211825 [0,0,0,0,0,0|2,1,1]=4 477 B8R0.4 CCCCSCSC#N 62a_100000211825_100000210210 [0,0,0,0,0,0|2,1,1]=4 478 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,0,0,0,0,0|2,0,2]=4 479 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,0,0,0,0,0|2,0,2]=4 480 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,0,0,0,0,0|4,0,0]=4 481 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,0,0,0,0,0|4,0,0]=4 482 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,0,0,0,0,0|2,0,1]=3 483 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,0,0,0,0,0|2,0,1]=3 484 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,0,0,0,0,0|2,1,1]=4 485 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [0,0,0,0,0,0|3,0,1]=4 486 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [0,0,0,0,0,0|3,0,1]=4 487 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [0,0,0,0,0,0|3,0,1]=4 488 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [0,0,0,0,0,0|3,0,1]=4 489 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [0,0,0,0,0,0|3,0,1]=4 490 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [0,0,0,0,0,0|3,0,1]=4 491 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [0,0,0,0,0,0|3,0,1]=4 492 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [0,0,0,0,0,0|3,0,1]=4 493 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [0,0,0,0,0,0|2,0,2]=4 494 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [0,0,0,0,0,0|4,0,0]=4 495 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [0,0,0,0,0,0|4,0,0]=4 496 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [0,0,0,0,0,0|4,0,0]=4 497 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [0,0,0,0,0,0|4,0,0]=4 498 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [0,0,0,0,0,0|4,0,0]=4 499 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,0,0,0,0,0|4,0,0]=4 500 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,0,0,0,0,0|4,0,0]=4 501 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,0,0,0,0,0|4,0,0]=4 502 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,0,0,0,0,0|4,0,0]=4 503 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [0,0,0,0,0,0|3,0,1]=4 504 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [0,0,0,0,0,0|3,0,1]=4 505 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [0,0,0,0,0,0|3,0,1]=4 506 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [0,0,0,0,0,0|3,0,1]=4 507 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [0,0,0,0,0,0|2,0,1]=3 508 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [0,0,0,0,0,0|2,0,1]=3 509 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [0,0,0,0,0,0|2,0,1]=3 510 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [0,0,0,0,0,0|2,0,1]=3 511 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [0,0,0,0,0,0|2,0,1]=3 512 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [0,0,0,0,0,0|2,0,1]=3 513 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [0,0,0,0,0,0|2,0,1]=3 514 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [0,0,0,0,0,0|2,0,1]=3 515 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [0,0,0,0,0,0|2,1,1]=4 516 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [0,0,0,0,0,0|2,1,1]=4 517 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [0,0,0,0,0,0|2,1,1]=4 518 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [0,0,0,0,0,0|2,1,1]=4 519 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [0,0,0,0,0,0|2,1,1]=4 520 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [0,0,0,0,0,0|2,1,1]=4 521 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [0,0,0,0,0,0|2,1,1]=4 522 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,0,0,0,0,0|3,0,1]=4 523 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,0,0,0,0,0|3,0,1]=4 524 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,0,0,0,0,0|2,0,0]=2 525 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,0,0,0,0,0|2,0,0]=2 526 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,0,0,0,0,0|3,0,1]=4 527 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,0,0,0,0,0|3,0,1]=4 528 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,0,0,0,0,0|2,0,2]=4 529 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,0,0,0,0,0|2,0,2]=4 530 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,0,0,0,0,0|4,0,0]=4 531 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,0,0,0,0,0|4,0,0]=4 532 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,0,0,0,0,0|3,0,1]=4 533 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,0,0,0,0,0|2,0,1]=3 534 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,0,0,0,0,0|2,0,1]=3 535 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,0,0,0,0,0|2,0,1]=3 536 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,0,0,0,0,0|2,0,1]=3 537 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,0,0,0,0,0|2,0,1]=3 538 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,0,0,0,0,0|2,0,1]=3 539 B8R0.4 CCCSCCSC#N 62a_100000034367_100000210303 [0,0,0,0,0,0|2,1,1]=4 540 B8R0.4 CCCSCCSC#N 62a_100000210303_100000034367 [0,0,0,0,0,0|2,1,1]=4 541 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,0,0,0,0,0|2,1,1]=4 542 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,0,0,0,0,0|2,1,1]=4 543 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [0,0,0,0,0,0|3,0,1]=4 544 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,0,0,0,0,0|2,0,0]=2 545 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [0,0,0,0,0,0|3,0,1]=4 546 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,0,0,0,0,0|2,0,2]=4 547 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,0,0,0,0,0|2,0,2]=4 548 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,0,0,0,0,0|2,0,2]=4 549 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,0,0,0,0,0|3,0,1]=4 550 B8R0.4 CCNCCCN=[N+]=[N-] 2230a_100000744732_100000210202 [0,0,0,0,0,0|4,0,0]=4 551 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,0,0,0,0,0|2,0,1]=3 552 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,0,0,0,0,0|2,0,1]=3 553 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,0,0,0,0,0|2,0,1]=3 554 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [0,0,0,0,0,0|2,0,1]=3 555 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [0,0,0,0,0,0|2,0,1]=3 556 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,0,0,0,0,0|2,0,1]=3 557 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,0,0,0,0,0|2,0,1]=3 558 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [0,0,0,0,0,0|2,0,1]=3 559 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [0,0,0,0,0,0|2,0,1]=3 560 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [0,0,0,0,0,0|2,0,1]=3 561 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,0,0,0,0,0|2,0,1]=3 562 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,0,0,0,0,0|2,0,1]=3 563 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,0,0,0,0,0|2,0,1]=3 564 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,0,0,0,0,0|2,0,1]=3 565 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,0,0,0,0,0|2,0,1]=3 566 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,0,0,0,0,0|2,0,1]=3 567 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [0,0,0,0,0,0|3,0,1]=4 568 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [0,0,0,0,0,0|2,0,1]=3 569 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [0,0,0,0,0,0|2,0,1]=3 570 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [0,0,0,0,0,0|2,0,1]=3 571 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [0,0,0,0,0,0|2,0,1]=3 572 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [0,0,0,0,0,0|2,0,1]=3 573 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,0,0,0,0,0|2,0,1]=3 574 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,0,0,0,0,0|2,0,1]=3 575 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,0,0,0,0,0|2,0,1]=3 576 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,0,0,0,0,0|2,0,1]=3 577 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [0,0,0,0,0,0|2,1,1]=4 578 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [0,0,0,0,0,0|2,1,1]=4 579 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,0,0,0,0,0|3,0,0]=3 580 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,0,0,0,0,0|3,0,0]=3 581 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [0,0,0,0,0,0|3,0,1]=4 582 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [0,0,0,0,0,0|3,0,1]=4 583 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [0,0,0,0,0,0|3,0,1]=4 584 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [0,0,0,0,0,0|3,0,1]=4 585 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [0,0,0,0,0,0|3,0,1]=4 586 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [0,0,0,0,0,0|3,0,1]=4 587 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [0,0,0,0,0,0|3,0,1]=4 588 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [0,0,0,0,0,0|3,0,1]=4 589 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [0,0,0,0,0,0|3,0,1]=4 590 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [0,0,0,0,0,0|3,0,1]=4 591 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,0,0,0,0,0|3,0,0]=3 592 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,0,0,0,0,0|3,0,0]=3 593 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [0,0,0,0,0,0|3,0,1]=4 594 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [0,0,0,0,0,0|3,0,1]=4 595 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [0,0,0,0,0,0|3,0,1]=4 596 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [0,0,0,0,0,0|3,0,1]=4 597 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [0,0,0,0,0,0|3,0,1]=4 598 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [0,0,0,0,0,0|3,0,1]=4 599 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [0,0,0,0,0,0|3,0,1]=4 600 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [0,0,0,0,0,0|3,0,1]=4 601 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [0,0,0,0,0,0|3,0,1]=4 602 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [0,0,0,0,0,0|3,0,1]=4 603 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [0,0,0,0,0,0|3,0,1]=4 604 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [0,0,0,0,0,0|3,0,1]=4 605 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [0,0,0,0,0,0|3,0,1]=4 606 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [0,0,0,0,0,0|3,0,1]=4 607 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [0,0,0,0,0,0|3,0,1]=4 608 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [0,0,0,0,0,0|3,0,1]=4 609 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [0,0,0,0,0,0|3,0,1]=4 610 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,0,0,0,0,0|3,0,0]=3 611 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,0,0,0,0,0|3,0,0]=3 612 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [0,0,0,0,0,0|3,0,1]=4 613 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [0,0,0,0,0,0|3,0,1]=4 614 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,0,0,0,0,0|3,0,1]=4 615 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,0,0,0,0,0|3,0,1]=4 616 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [0,0,0,0,0,0|3,0,1]=4 617 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [0,0,0,0,0,0|3,0,1]=4 618 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [0,0,0,0,0,0|3,0,1]=4 619 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [0,0,0,0,0,0|3,0,1]=4 620 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [0,0,0,0,0,0|3,0,1]=4 621 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [0,0,0,0,0,0|3,0,1]=4 622 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,0,0,0,0,0|3,0,1]=4 623 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,0,0,0,0,0|3,0,1]=4 624 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,0,0,0,0,0|3,0,1]=4 625 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,0,0,0,0,0|3,0,1]=4 626 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,0,0,0,0,0|3,0,1]=4 627 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,0,0,0,0,0|3,0,1]=4 628 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [0,0,0,0,0,0|3,0,1]=4 629 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [0,0,0,0,0,0|3,0,1]=4 630 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [0,0,0,0,0,0|3,0,1]=4 631 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,0,0,0,0,0|2,0,0]=2 632 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,0,0,0,0,0|2,0,0]=2 633 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,0,0,0,0,0|2,1,1]=4 634 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,0,0,0,0,0|2,1,1]=4 635 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,0,0,0,0,0|2,0,2]=4 636 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,0,0,0,0,0|2,0,2]=4 637 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,0,0,0,0,0|2,1,1]=4 638 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,0,0,0,0,0|2,1,1]=4 639 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,0,0,0,0,0|2,0,1]=3 640 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,0,0,0,0,0|2,0,1]=3 641 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,0,0,0,0,0|3,0,0]=3 642 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,0,0,0,0,0|3,0,0]=3 643 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,0,0,0,0,0|3,0,0]=3 644 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,0,0,0,0,0|3,0,0]=3 645 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,0,0,0,0,0|3,0,0]=3 646 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [0,0,0,0,0,0|3,0,1]=4 647 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [0,0,0,0,0,0|3,0,1]=4 648 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,0,0,0,0,0|2,0,0]=2 649 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,0,0,0,0,0|2,0,0]=2 650 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,0,0,0,0,0|3,0,1]=4 651 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,0,0,0,0,0|3,0,1]=4 652 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,0,0,0,0,0|3,0,1]=4 653 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,0,0,0,0,0|2,0,2]=4 654 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,0,0,0,0,0|2,0,2]=4 655 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,0,0,0,0,0|2,0,2]=4 656 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,0,0,0,0,0|2,0,2]=4 657 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,0,0,0,0,0|2,0,2]=4 658 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,0,0,0,0,0|4,0,0]=4 659 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,0,0,0,0,0|4,0,0]=4 660 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,0,0,0,0,0|4,0,0]=4 661 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,0,0,0,0,0|4,0,0]=4 662 B8R0.4 CNCCCCN=[N+]=[N-] 2230a_100000101370_200000210301 [0,0,0,0,0,0|4,0,0]=4 663 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,0,0,0,0,0|3,0,0]=3 664 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,0,0,0,0,0|3,0,1]=4 665 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,0,0,0,0,0|3,0,1]=4 666 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,0,0,0,0,0|3,0,1]=4 667 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,0,0,0,0,0|3,0,1]=4 668 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,0,0,0,0,0|3,0,1]=4 669 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,0,0,0,0,0|3,0,1]=4 670 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,0,0,0,0,0|3,0,1]=4 671 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,0,0,0,0,0|3,0,1]=4 672 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,0,0,0,0,0|2,0,2]=4 673 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,0,0,0,0,0|4,0,0]=4 674 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,0,0,0,0,0|4,0,0]=4 675 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,0,0,0,0,0|2,0,1]=3 676 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,0,0,0,0,0|2,1,1]=4 677 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,0,0,0,0,0|2,1,1]=4 678 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,0,0,0,0,0|3,0,0]=3 679 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,0,0,0,0,0|3,0,0]=3 680 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,0,0,0,0,0|3,0,0]=3 681 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,0,0,0,0,0|3,0,0]=3 682 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,0,0,0,0,0|3,0,0]=3 683 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,0,0,0,0,0|3,0,0]=3 684 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [0,0,0,0,0,0|3,0,1]=4 685 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [0,0,0,0,0,0|3,0,1]=4 686 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,0,0,0,0,0|2,0,0]=2 687 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,0,0,0,0,0|2,0,0]=2 688 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,0,0,0,0,0|3,0,1]=4 689 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,0,0,0,0,0|3,0,1]=4 690 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,0,0,0,0,0|2,0,2]=4 691 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,0,0,0,0,0|2,0,2]=4 692 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,0,0,0,0,0|2,0,1]=3 693 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,0,0,0,0,0|2,0,1]=3 694 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,0,0,0,0,0|3,0,0]=3 695 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,0,0,0,0,0|3,0,0]=3 696 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,0,0,0,0,0|3,0,0]=3 697 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,0,0,0,0,0|3,0,0]=3 698 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,0,0,0,0,0|3,0,0]=3 699 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [0,0,0,0,0,0|2,1,1]=4 700 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [0,0,0,0,0,0|2,1,1]=4 701 B8R0.4 FCCOCCOCF 34a_200015357709_100015361967 [0,0,0,0,0,0|3,0,1]=4 702 B8R0.4 FCCOCCOCF 7a_200015357709_100015361967 [0,0,0,0,0,0|3,0,1]=4 703 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [0,0,0,0,0,0|2,0,1]=3 704 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [0,0,0,0,0,0|2,0,1]=3 705 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [0,0,0,0,0,0|2,0,1]=3 706 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [0,0,0,0,0,0|2,0,1]=3 707 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [0,0,0,0,0,0|2,0,1]=3 708 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [0,0,0,0,0,0|2,0,1]=3 709 B8R0.4 FCOCCOCCBr 34a_100000692535_100015361967 [0,0,0,0,0,0|3,0,1]=4 710 B8R0.4 FCOCCOCCBr 7a_100000692535_100015361967 [0,0,0,0,0,0|3,0,1]=4 711 B8R0.4 FCOCCOCCCl 34a_100011215305_100015361967 [0,0,0,0,0,0|3,0,1]=4 712 B8R0.4 FCOCCOCCCl 7a_100011215305_100015361967 [0,0,0,0,0,0|3,0,1]=4 713 B8R0.4 FCOCCOCCI 34a_100012149058_100015361967 [0,0,0,0,0,0|3,0,1]=4 714 B8R0.4 FCOCCOCCI 7a_100012149058_100015361967 [0,0,0,0,0,0|3,0,1]=4 715 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [0,0,0,0,0,0|3,0,1]=4 716 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [0,0,0,0,0,0|3,0,1]=4 717 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [0,0,0,0,0,0|3,0,1]=4 718 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [0,0,0,0,0,0|3,0,1]=4 719 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [0,0,0,0,0,0|2,0,1]=3 720 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,0,0,0,0,0|3,0,0]=3 721 B8R0.4 NCCOCCOCF 34a_100000211614_100015361967 [0,0,0,0,0,0|3,0,1]=4 722 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,0,0,0,0,0|3,0,0]=3 723 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,0,0,0,0,0|3,0,0]=3 724 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,0,0,0,0,0|3,0,0]=3 725 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [0,0,0,0,0,0|3,0,1]=4 726 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [0,0,0,0,0,0|3,0,1]=4 727 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,0,0,0,0,0|3,0,0]=3 728 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,0,0,0,0,0|3,0,0]=3 729 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,0,0,0,0,0|3,0,0]=3 730 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,0,0,0,0,0|3,0,0]=3 731 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,0,0,0,0,0|3,0,0]=3 732 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,0,0,0,0,0|3,0,0]=3 733 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,0,0,0,0,0|3,0,0]=3 734 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,0,0,0,0,0|3,0,0]=3 735 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,0,0,0,0,0|3,0,0]=3 736 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,0,0,0,0,0|3,0,0]=3 737 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,0,0,0,0,0|3,0,0]=3 738 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,0,0,0,0,0|3,0,0]=3 739 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,0,0,0,0,0|3,0,0]=3 740 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,0,0,0,0,0|3,0,0]=3 741 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,0,0,0,0,0|3,0,0]=3 742 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,0,0,0,0,0|3,0,0]=3 743 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,0,0,0,0,0|3,0,1]=4 744 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,0,0,0,0,0|2,1,1]=4 745 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,0,0,0,0,0|2,1,1]=4 746 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,0,0,0,0,0|2,0,2]=4 747 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,0,0,0,0,0|2,0,2]=4 748 B8R0.4 [13CH3]NCCCCN=[N+]=[N-] 2230a_100000101370_200025704644 [0,0,0,0,0,0|4,0,0]=4 749 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,0,0,0,0,0|3,0,1]=4 750 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,0,0,0,0,0|3,0,1]=4 751 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,0,0,0,0,0|3,0,1]=4 752 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,0,0,0,0,0|3,0,1]=4 753 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,0,0,0,0,0|3,0,1]=4 754 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,0,0,0,0,0|3,0,1]=4 755 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,0,0,0,0,0|3,0,1]=4 756 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [0,0,0,0,0,0|3,0,1]=4 757 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [0,0,0,0,0,0|3,0,1]=4 758 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,0,0,0,0,0|2,0,0]=2 759 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,0,0,0,0,0|2,0,0]=2 760 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,0,0,0,0,0|3,0,1]=4 761 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,0,0,0,0,0|3,0,1]=4 762 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,0,0,0,0,0|2,0,2]=4 763 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,0,0,0,0,0|2,0,2]=4 764 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,0,0,0,0|2,0,1]=4 765 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,0,0,0,0|2,0,1]=4 766 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,0,0,0,0|2,0,1]=4 767 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,0,0,0,0|2,0,1]=4 768 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,0,0,0,0|2,0,1]=4 769 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,0,0,0,0|2,0,1]=4 770 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,0,0,0,0|2,0,1]=4 771 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|0,0,3]=4 772 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|0,0,3]=4 773 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|0,0,3]=4 774 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|0,0,3]=4 775 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|0,0,3]=4 776 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|2,0,1]=4 777 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|2,0,1]=4 778 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|2,0,1]=4 779 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|2,0,1]=4 780 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,0,0,0,0,0|2,0,1]=4 781 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,0,0,0,0,0|2,0,1]=4 782 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|2,0,1]=4 783 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|2,0,1]=4 784 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|2,0,1]=4 785 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,0,0,0,0,0|2,0,1]=4 786 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,0,0,0,0,0|2,0,1]=4 787 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [1,0,0,0,0,0|1,0,2]=4 788 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,0,0,0,0,0|2,0,1]=4 789 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [1,0,0,0,0,0|1,0,2]=4 790 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,0,0,0,0,0|2,0,1]=4 791 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,0,0,0,0,0|2,0,1]=4 792 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [1,0,0,0,0,0|1,0,2]=4 793 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [1,0,0,0,0,0|1,0,2]=4 794 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,0,0,0,0,0|2,0,1]=4 795 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,0,0,0,0,0|2,0,1]=4 796 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,0,0,0,0,0|2,0,1]=4 797 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,0,0,0,0,0|2,0,1]=4 798 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,0,0,0,0,0|2,0,1]=4 799 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,0,0,0,0,0|2,0,1]=4 800 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,0,0,0,0,0|2,0,1]=4 801 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,0,0,0,0,0|2,0,1]=4 802 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,0,0,0,0,0|2,0,1]=4 803 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|2,0,1]=4 804 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,0,0,0,0,0|1,0,2]=4 805 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|2,0,1]=4 806 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|2,0,1]=4 807 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [1,0,0,0,0,0|1,0,2]=4 808 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [1,0,0,0,0,0|1,0,2]=4 809 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|2,0,1]=4 810 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|2,0,1]=4 811 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|2,0,0]=3 812 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|2,0,0]=3 813 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|2,0,0]=3 814 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|2,0,0]=3 815 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|2,0,0]=3 816 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|2,0,0]=3 817 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|2,0,0]=3 818 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|2,0,0]=3 819 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|2,0,0]=3 820 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|2,0,0]=3 821 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|2,0,0]=3 822 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|2,0,0]=3 823 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|2,0,0]=3 824 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|2,0,0]=3 825 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|2,0,0]=3 826 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|2,0,0]=3 827 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|2,0,0]=3 828 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|2,0,0]=3 829 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|2,0,0]=3 830 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,0,0,0,0,0|3,0,0]=4 831 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|2,0,0]=3 832 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|2,0,0]=3 833 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|2,0,0]=3 834 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,0,0,0,0,0|3,0,0]=4 835 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,0,0,0,0,0|3,0,0]=4 836 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|2,0,0]=3 837 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|2,0,0]=3 838 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,0,0,0,0,0|3,0,0]=4 839 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,0,0,0,0,0|3,0,0]=4 840 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,0,0,0,0,0|1,0,2]=4 841 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|2,0,0]=3 842 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,0,0,0,0,0|3,0,0]=4 843 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,0,0,0,0,0|3,0,0]=4 844 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|3,0,0]=4 845 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|3,0,0]=4 846 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|3,0,0]=4 847 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,0,0,0,0,0|3,0,0]=4 848 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,0,0,0,0|3,0,0]=4 849 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,0,0,0,0,0|1,0,2]=4 850 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,0,0,0,0,0|3,0,0]=4 851 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|2,0,0]=3 852 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|2,0,0]=3 853 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,0,0,0,0,0|3,0,0]=4 854 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,0,0,0,0,0|3,0,0]=4 855 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|3,0,0]=4 856 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|3,0,0]=4 857 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,0,0,0,0,0|1,0,2]=4 858 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,0,0,0,0,0|1,0,2]=4 859 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|2,0,0]=3 860 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|2,0,0]=3 861 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,0,0,0,0,0|3,0,0]=4 862 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,0,0,0,0,0|3,0,0]=4 863 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|3,0,0]=4 864 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|3,0,0]=4 865 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,0,0,0,0,0|3,0,0]=4 866 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,0,0,0,0,0|3,0,0]=4 867 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|3,0,0]=4 868 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|3,0,0]=4 869 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|2,0,0]=3 870 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|2,0,0]=3 871 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|2,0,0]=3 872 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [1,0,0,0,0,0|3,0,0]=4 873 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [1,0,0,0,0,0|3,0,0]=4 874 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [1,0,0,0,0,0|3,0,0]=4 875 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,0,0,0,0,0|3,0,0]=4 876 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,0,0,0,0,0|3,0,0]=4 877 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,0,0,0,0,0|3,0,0]=4 878 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,0,0,0,0,0|3,0,0]=4 879 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,0,0,0,0,0|3,0,0]=4 880 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,0,0,0,0,0|3,0,0]=4 881 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|2,0,0]=3 882 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|2,0,0]=3 883 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|2,0,0]=3 884 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,0,0,0,0,0|3,0,0]=4 885 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,0,0,0,0,0|3,0,0]=4 886 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,0,0,0,0,0|3,0,0]=4 887 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,0,0,0,0,0|3,0,0]=4 888 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,0,0,0,0|3,0,0]=4 889 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,0,0,0,0,0|3,0,0]=4 890 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,0,0,0,0,0|3,0,0]=4 891 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,0,0,0,0,0|3,0,0]=4 892 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,0,0,0,0,0|3,0,0]=4 893 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,0,0,0,0,0|3,0,0]=4 894 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,0,0,0,0,0|3,0,0]=4 895 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,0,0,0,0|3,0,0]=4 896 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,0,0,0,0|3,0,0]=4 897 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,0,0,0,0|3,0,0]=4 898 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|2,0,0]=3 899 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|2,0,0]=3 900 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,0,0,0,0,0|3,0,0]=4 901 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,0,0,0,0,0|3,0,0]=4 902 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,0,0,0,0,0|3,0,0]=4 903 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,0,0,0,0,0|3,0,0]=4 904 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,0,0,0,0,0|3,0,0]=4 905 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,0,0,0,0,0|3,0,0]=4 906 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,0,0,0,0,0|3,0,0]=4 907 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,0,0,0,0,0|3,0,0]=4 908 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,0,0,0,0,0|3,0,0]=4 909 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,0,0,0,0,0|3,0,0]=4 910 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,0,0,0,0|2,0,0]=3 911 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,0,0,0,0|2,0,0]=3 912 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,0,0,0,0|2,0,0]=3 913 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,0,0,0,0|2,0,0]=3 914 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,0,0,0,0|2,0,0]=3 915 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,0,0,0,0|2,0,0]=3 916 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,0,0,0,0|2,0,0]=3 917 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [1,0,0,0,0,0|3,0,0]=4 918 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,0,0,0,0|2,0,0]=3 919 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,0,0,0,0|2,0,0]=3 920 B7R0.1 C=COCCSCF 62a_100000039644_100015361967 [1,0,0,0,0,0|3,0,0]=4 921 B7R0.1 C=COCCSCF 62a_100015361967_100000039644 [1,0,0,0,0,0|3,0,0]=4 922 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [1,0,0,0,0,0|1,0,2]=4 923 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [1,0,0,0,0,0|1,0,2]=4 924 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [1,0,0,0,0,0|1,0,2]=4 925 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [1,0,0,0,0,0|1,0,2]=4 926 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [1,0,0,0,0,0|1,0,2]=4 927 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|0,0,3]=4 928 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|0,0,3]=4 929 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|0,0,3]=4 930 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|0,0,3]=4 931 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|0,0,3]=4 932 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|0,0,3]=4 933 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|0,0,3]=4 934 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|2,0,1]=4 935 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [1,0,0,0,0,0|1,0,2]=4 936 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [1,0,0,0,0,0|1,0,2]=4 937 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|2,0,1]=4 938 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|2,0,1]=4 939 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|3,0,0]=4 940 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,0,0,0,0,0|0,0,3]=4 941 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,0,0,0,0,0|0,0,3]=4 942 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,0,0,0,0,0|0,0,3]=4 943 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,0,0,0,0,0|0,0,3]=4 944 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|0,0,3]=4 945 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|0,0,3]=4 946 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|0,0,3]=4 947 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|0,0,3]=4 948 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,0,0,0,0,0|0,0,3]=4 949 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,0,0,0,0,0|0,0,3]=4 950 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,0,0,0,0,0|0,0,3]=4 951 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,0,0,0,0,0|0,0,3]=4 952 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,1]=3 953 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 954 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,1]=3 955 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 956 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,1]=3 957 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|0,0,1]=2 958 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|0,0,1]=2 959 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|0,0,1]=2 960 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|0,0,1]=2 961 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|0,0,1]=2 962 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|0,1,1]=3 963 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|0,1,1]=3 964 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|0,1,1]=3 965 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|0,1,1]=3 966 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|2,0,1]=4 967 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|2,0,1]=4 968 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 969 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,1]=3 970 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 971 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|1,0,1]=3 972 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|1,0,1]=3 973 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,1,1]=4 974 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,1,1]=4 975 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|1,1,1]=4 976 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|1,1,1]=4 977 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,0,0,0,0,0|2,0,1]=4 978 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,0,0,0,0,0|2,0,1]=4 979 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|1,0,0]=2 980 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|1,0,0]=2 981 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|2,0,1]=4 982 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|2,0,1]=4 983 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,1]=4 984 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,1]=4 985 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,1]=4 986 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|1,0,2]=4 987 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|1,0,2]=4 988 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|1,0,2]=4 989 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|1,0,2]=4 990 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|1,0,1]=3 991 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|1,1,1]=4 992 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,0,0,0,0,0|2,0,1]=4 993 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|1,0,0]=2 994 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|1,0,0]=2 995 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,1]=4 996 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|2,0,1]=4 997 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|2,0,1]=4 998 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|2,0,1]=4 999 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 1000 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 1001 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,1]=4 1002 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|1,0,2]=4 1003 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|1,0,2]=4 1004 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,1]=4 1005 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,1]=4 1006 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|1,0,1]=3 1007 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|1,1,1]=4 1008 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|1,1,1]=4 1009 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|1,1,1]=4 1010 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|1,1,1]=4 1011 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|1,1,1]=4 1012 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,0,0,0,0,0|2,0,1]=4 1013 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,0,0,0,0,0|2,0,1]=4 1014 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|1,0,0]=2 1015 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|1,0,0]=2 1016 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|2,0,1]=4 1017 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|2,0,1]=4 1018 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,0,1]=4 1019 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,0,1]=4 1020 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|1,0,2]=4 1021 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|1,0,2]=4 1022 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|1,0,1]=3 1023 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|1,0,1]=3 1024 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|1,1,1]=4 1025 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|1,1,1]=4 1026 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 1027 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 1028 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|1,0,1]=3 1029 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|1,1,1]=4 1030 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,1]=4 1031 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,1]=4 1032 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,1]=4 1033 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,1]=4 1034 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,1]=4 1035 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|1,0,2]=4 1036 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 1037 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 1038 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|2,0,1]=4 1039 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 1040 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 1041 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 1042 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 1043 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|1,0,1]=3 1044 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|1,0,1]=3 1045 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|1,0,1]=3 1046 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|1,0,1]=3 1047 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|1,0,1]=3 1048 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|2,0,0]=3 1049 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|1,0,1]=3 1050 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|1,0,1]=3 1051 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|1,1,1]=4 1052 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|1,1,1]=4 1053 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|1,1,1]=4 1054 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|1,1,1]=4 1055 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|1,1,1]=4 1056 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|1,1,1]=4 1057 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|1,1,1]=4 1058 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,0,0,0,0,0|2,0,1]=4 1059 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,0,0,0,0,0|2,0,1]=4 1060 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,0,1]=4 1061 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,0,1]=4 1062 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|1,0,2]=4 1063 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|1,0,2]=4 1064 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|2,0,1]=4 1065 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|2,0,1]=4 1066 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|1,0,1]=3 1067 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|1,0,1]=3 1068 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|1,0,1]=3 1069 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|1,0,1]=3 1070 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|1,0,1]=3 1071 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|1,0,1]=3 1072 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|1,1,1]=4 1073 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|1,1,1]=4 1074 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,0,1]=4 1075 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,0,1]=4 1076 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,0,0,0,0,0|2,0,1]=4 1077 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|1,0,0]=2 1078 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|2,0,1]=4 1079 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|1,0,2]=4 1080 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|1,0,2]=4 1081 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|1,0,2]=4 1082 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|1,0,1]=3 1083 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|1,0,1]=3 1084 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|1,1,1]=4 1085 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|2,0,1]=4 1086 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 1087 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 1088 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,1]=4 1089 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 1090 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 1091 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 1092 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,1]=4 1093 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 1094 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,1]=4 1095 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 1096 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|1,0,2]=4 1097 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|2,0,1]=4 1098 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|2,0,1]=4 1099 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|2,0,1]=4 1100 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|2,0,1]=4 1101 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|2,0,1]=4 1102 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|2,0,1]=4 1103 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|2,0,1]=4 1104 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|2,0,1]=4 1105 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|1,0,1]=3 1106 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|1,0,1]=3 1107 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|1,0,1]=3 1108 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|1,0,1]=3 1109 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|1,0,1]=3 1110 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|1,0,1]=3 1111 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|1,0,1]=3 1112 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|1,1,1]=4 1113 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|1,1,1]=4 1114 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|1,1,1]=4 1115 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|1,1,1]=4 1116 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|1,1,1]=4 1117 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|1,1,1]=4 1118 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 1119 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|2,0,1]=4 1120 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 1121 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,0,0,0,0,0|2,0,1]=4 1122 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,0,0,0,0,0|2,0,1]=4 1123 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 1124 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|2,0,1]=4 1125 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|2,0,1]=4 1126 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|2,0,1]=4 1127 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 1128 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,0,0,0,0|2,0,0]=3 1129 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,0,0,0,0|2,0,0]=3 1130 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,0,0,0,0,0|2,0,1]=4 1131 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,0,0,0,0,0|2,0,1]=4 1132 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,0,0,0,0,0|2,0,1]=4 1133 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,0,0,0,0,0|2,0,1]=4 1134 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|1,0,0]=2 1135 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|1,0,0]=2 1136 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|2,0,1]=4 1137 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|2,0,1]=4 1138 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|1,0,2]=4 1139 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|1,0,2]=4 1140 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|1,0,1]=3 1141 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|1,0,1]=3 1142 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|1,0,1]=3 1143 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|1,0,1]=3 1144 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|1,0,1]=3 1145 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|1,0,1]=3 1146 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,0,0,0,0,0|2,0,1]=4 1147 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,0,0,0,0,0|2,0,1]=4 1148 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1149 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1150 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|1,0,0]=2 1151 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|1,0,0]=2 1152 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 1153 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,1]=4 1154 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 1155 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|1,0,2]=4 1156 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|1,0,2]=4 1157 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|1,0,2]=4 1158 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|1,0,2]=4 1159 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|1,0,2]=4 1160 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|1,0,1]=3 1161 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|1,0,1]=3 1162 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|1,0,1]=3 1163 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,0,0,0,0,0|2,0,1]=4 1164 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,0,0,0,0,0|2,0,1]=4 1165 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|1,0,1]=3 1166 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|1,0,1]=3 1167 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|1,0,1]=3 1168 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|1,0,1]=3 1169 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|1,0,1]=3 1170 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|1,0,1]=3 1171 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|1,0,1]=3 1172 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|1,0,1]=3 1173 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|1,0,1]=3 1174 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|1,0,1]=3 1175 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|1,0,1]=3 1176 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|1,0,1]=3 1177 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|1,0,1]=3 1178 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|1,0,1]=3 1179 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|1,0,1]=3 1180 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|1,0,1]=3 1181 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|1,0,1]=3 1182 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|1,0,1]=3 1183 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,0,0,0,0,0|2,0,1]=4 1184 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|2,0,1]=4 1185 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,0,0,0,0,0|2,0,1]=4 1186 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,0,0,0,0,0|2,0,1]=4 1187 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,0,0,0,0|2,0,0]=3 1188 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,0,0,0,0,0|2,0,1]=4 1189 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,0,0,0,0,0|2,0,1]=4 1190 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,0,0,0,0|2,0,1]=4 1191 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,0,0,0,0|2,0,1]=4 1192 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,0,0,0,0|2,0,1]=4 1193 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,0,0,0,0,0|2,0,1]=4 1194 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,0,0,0,0,0|2,0,1]=4 1195 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,0,0,0,0|2,0,0]=3 1196 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,0,0,0,0,0|2,0,1]=4 1197 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,0,0,0,0,0|2,0,1]=4 1198 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,0,0,0,0,0|2,0,1]=4 1199 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,0,0,0,0,0|2,0,1]=4 1200 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,0,0,0,0,0|2,0,1]=4 1201 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,0,0,0,0,0|2,0,1]=4 1202 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,0,0,0,0,0|2,0,1]=4 1203 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,0,0,0,0,0|2,0,1]=4 1204 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,0,0,0,0,0|2,0,1]=4 1205 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,0,0,0,0,0|2,0,1]=4 1206 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,0,0,0,0,0|2,0,1]=4 1207 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 1208 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|2,0,1]=4 1209 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|2,0,1]=4 1210 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|2,0,1]=4 1211 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|2,0,1]=4 1212 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|2,0,1]=4 1213 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|2,0,1]=4 1214 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|2,0,1]=4 1215 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,0,0,0,0|2,0,0]=3 1216 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,0,0,0,0|2,0,0]=3 1217 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,0,0,0,0,0|2,0,1]=4 1218 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,0,0,0,0,0|2,0,1]=4 1219 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,0,0,0,0,0|2,0,1]=4 1220 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,0,0,0,0,0|2,0,1]=4 1221 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,0,0,0,0,0|2,0,1]=4 1222 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,0,0,0,0,0|2,0,1]=4 1223 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,0,0,0,0,0|2,0,1]=4 1224 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,0,0,0,0,0|2,0,1]=4 1225 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,0,0,0,0,0|2,0,1]=4 1226 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|2,0,1]=4 1227 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,0,0,0,0,0|2,0,1]=4 1228 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,0,0,0,0,0|2,0,1]=4 1229 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,0,0,0,0,0|2,0,1]=4 1230 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,0,0,0,0,0|2,0,1]=4 1231 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|2,0,1]=4 1232 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|2,0,1]=4 1233 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,0,1]=4 1234 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,0,1]=4 1235 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|1,0,0]=2 1236 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|1,0,0]=2 1237 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|1,1,1]=4 1238 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|1,1,1]=4 1239 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|1,0,2]=4 1240 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|1,0,2]=4 1241 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|1,0,1]=3 1242 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|1,0,1]=3 1243 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|2,0,1]=4 1244 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|2,0,1]=4 1245 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,0,0,0,0|2,0,0]=3 1246 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,0,0,0,0|2,0,0]=3 1247 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,0,0,0,0|2,0,0]=3 1248 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,0,0,0,0|2,0,0]=3 1249 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,0,0,0,0|2,0,0]=3 1250 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [1,0,0,0,0,0|3,0,0]=4 1251 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,0,0,0,0,0|2,0,1]=4 1252 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,0,0,0,0,0|2,0,1]=4 1253 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,0,0,0,0,0|2,0,1]=4 1254 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,0,0,0,0,0|2,0,1]=4 1255 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,0,0,0,0,0|2,0,1]=4 1256 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,0,0,0,0,0|2,0,1]=4 1257 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [1,0,0,0,0,0|2,0,1]=4 1258 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [1,0,0,0,0,0|2,0,1]=4 1259 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,0,0,0,0,0|2,0,1]=4 1260 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,0,0,0,0|2,0,0]=3 1261 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [1,0,0,0,0,0|3,0,0]=4 1262 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [1,0,0,0,0,0|3,0,0]=4 1263 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [1,0,0,0,0,0|3,0,0]=4 1264 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,0,0,0,0,0|2,0,0]=3 1265 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,0,0,0,0,0|2,0,0]=3 1266 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,0,0,0,0|2,0,0]=3 1267 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,0,0,0,0|2,0,0]=3 1268 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,0,0,0,0|2,0,0]=3 1269 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,0,0,0,0|2,0,0]=3 1270 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,0,0,0,0|2,0,0]=3 1271 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,0,0,0,0|2,0,0]=3 1272 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,0,0,0,0|2,0,0]=3 1273 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,0,0,0,0|2,0,0]=3 1274 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,0,0,0,0|2,0,0]=3 1275 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|1,0,2]=4 1276 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|1,0,2]=4 1277 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|1,0,1]=3 1278 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|1,0,1]=3 1279 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|1,0,1]=3 1280 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|1,0,1]=3 1281 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|1,0,1]=3 1282 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|1,0,1]=3 1283 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|1,0,1]=3 1284 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,0,0,0,0,0|2,0,1]=4 1285 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,0,0,0,0,0|2,0,1]=4 1286 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,0,0,0,0,0|2,0,1]=4 1287 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,0,0,0,0,0|2,0,1]=4 1288 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,0,0,0,0,0|2,0,1]=4 1289 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,0,0,0,0,0|2,0,1]=4 1290 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,0,0,0,0,0|2,0,1]=4 1291 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,0,0,0,0,0|2,0,1]=4 1292 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 1293 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,0,1]=4 1294 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,0,1]=4 1295 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|1,0,0]=2 1296 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|1,0,0]=2 1297 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|1,1,1]=4 1298 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|1,1,1]=4 1299 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|1,0,2]=4 1300 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|1,0,2]=4 1301 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,0,0,0,0|1,0,2]=4 1302 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,0,0,0,0|1,0,2]=4 1303 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,0,0,0,0|1,0,2]=4 1304 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 1305 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 1306 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 1307 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,1,0,0,0,0|1,0,2]=4 1308 B9R0.2 C#CCCNCOC(=O)C 34a_100000755551_100009813279 [0,1,0,0,0,0|1,0,2]=4 1309 B9R0.2 C#CCCOCOC(=O)C 34a_100011215631_100009813279 [0,1,0,0,0,0|1,0,2]=4 1310 B9R0.2 C#CCCSCOC(=O)C 62a_100000076356_100000688953 [0,1,0,0,0,0|1,0,2]=4 1311 B9R0.2 C#CCCSCOC(=O)C 62a_100000688953_100000076356 [0,1,0,0,0,0|1,0,2]=4 1312 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [0,1,0,0,0,0|1,0,2]=4 1313 B9R0.2 C#CCNCCOC(=O)N 34a_100000212058_200011214921 [0,1,0,0,0,0|1,0,2]=4 1314 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [0,1,0,0,0,0|1,0,2]=4 1315 B9R0.2 C#CCOCCOC(=O)N 34a_100000210247_200011214921 [0,1,0,0,0,0|1,0,2]=4 1316 B9R0.2 C#CCOCCOC(=O)N 7a_100000766696_100000038162 [0,1,0,0,0,0|1,0,2]=4 1317 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [0,1,0,0,0,0|1,0,2]=4 1318 B9R0.2 C#CCSCCOC(=O)N 62a_100000038162_200011214921 [0,1,0,0,0,0|1,0,2]=4 1319 B9R0.2 C/C=C/CCOCC(C)C 34a_100016278192_100000210624 [0,1,0,0,0,0|3,0,0]=4 1320 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [0,1,0,0,0,0|3,0,0]=4 1322 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [0,1,0,0,0,0|3,0,0]=4 1323 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [0,1,0,0,0,0|3,0,0]=4 1324 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [0,1,0,0,0,0|3,0,0]=4 1325 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [0,1,0,0,0,0|3,0,0]=4 1326 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [0,1,0,0,0,0|3,0,0]=4 1327 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [0,1,0,0,0,0|3,0,0]=4 1328 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [0,1,0,0,0,0|1,0,2]=4 1329 B9R0.2 C/C=C/CSCCC(C)C 62a_100000210312_100102629194 [0,1,0,0,0,0|3,0,0]=4 1330 B9R0.2 C/C=C/CSCCC(C)C 62a_100102629194_100000210312 [0,1,0,0,0,0|3,0,0]=4 1331 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [0,1,0,0,0,0|3,0,0]=4 1332 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [0,1,0,0,0,0|3,0,0]=4 1333 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [0,1,0,0,0,0|1,0,2]=4 1334 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [0,1,0,0,0,0|1,0,2]=4 1335 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,1,0,0,0,0|3,0,0]=4 1336 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,0,0,0,0|3,0,0]=4 1337 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,0,0,0,0|3,0,0]=4 1338 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,0,0,0,0|3,0,0]=4 1339 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,0,0,0,0|3,0,0]=4 1340 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,0,0,0,0|3,0,0]=4 1341 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,0,0,0,0|3,0,0]=4 1342 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,0,0,0,0|3,0,0]=4 1343 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,0,0,0,0|3,0,0]=4 1344 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,0,0,0,0|3,0,0]=4 1345 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,0,0,0,0|3,0,0]=4 1346 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,0,0,0,0|3,0,0]=4 1347 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [0,1,0,0,0,0|2,0,1]=4 1348 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [0,1,0,0,0,0|2,0,1]=4 1349 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,0,0,0,0|3,0,0]=4 1350 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,0,0,0,0|3,0,0]=4 1351 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,1,0,0,0,0|3,0,0]=4 1352 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,0,0,0,0|3,0,0]=4 1353 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,0,0,0,0|3,0,0]=4 1354 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,0,0,0,0|3,0,0]=4 1355 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,1,0,0,0,0|3,0,0]=4 1356 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,1,0,0,0,0|3,0,0]=4 1357 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,0,0,0,0|1,0,2]=4 1358 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,0,0,0,0|1,0,2]=4 1359 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,0,0,0,0|1,0,2]=4 1360 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [0,1,0,0,0,0|3,0,0]=4 1361 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [0,1,0,0,0,0|3,0,0]=4 1362 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 1363 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 1364 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 1365 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,1,0,0,0,0|1,0,2]=4 1366 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [0,1,0,0,0,0|3,0,0]=4 1367 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [0,1,0,0,0,0|3,0,0]=4 1368 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [0,1,0,0,0,0|3,0,0]=4 1369 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [0,1,0,0,0,0|3,0,0]=4 1370 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [0,1,0,0,0,0|3,0,0]=4 1371 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [0,1,0,0,0,0|3,0,0]=4 1372 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [0,1,0,0,0,0|3,0,0]=4 1373 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [0,1,0,0,0,0|3,0,0]=4 1374 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [0,1,0,0,0,0|3,0,0]=4 1375 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [0,1,0,0,0,0|3,0,0]=4 1376 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [0,1,0,0,0,0|3,0,0]=4 1377 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [0,1,0,0,0,0|3,0,0]=4 1378 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [0,1,0,0,0,0|3,0,0]=4 1379 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [0,1,0,0,0,0|3,0,0]=4 1380 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [0,1,0,0,0,0|3,0,0]=4 1381 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [0,1,0,0,0,0|3,0,0]=4 1382 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [0,1,0,0,0,0|3,0,0]=4 1383 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [0,1,0,0,0,0|3,0,0]=4 1384 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [0,1,0,0,0,0|3,0,0]=4 1385 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [0,1,0,0,0,0|3,0,0]=4 1386 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [0,1,0,0,0,0|3,0,0]=4 1387 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [0,1,0,0,0,0|3,0,0]=4 1388 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [0,1,0,0,0,0|3,0,0]=4 1389 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [0,1,0,0,0,0|3,0,0]=4 1390 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [0,1,0,0,0,0|3,0,0]=4 1391 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [0,1,0,0,0,0|3,0,0]=4 1392 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [0,1,0,0,0,0|3,0,0]=4 1393 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [0,1,0,0,0,0|3,0,0]=4 1394 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [0,1,0,0,0,0|3,0,0]=4 1395 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [0,1,0,0,0,0|3,0,0]=4 1396 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [0,1,0,0,0,0|3,0,0]=4 1397 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [0,1,0,0,0,0|3,0,0]=4 1398 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [0,1,0,0,0,0|3,0,0]=4 1399 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [0,1,0,0,0,0|3,0,0]=4 1400 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [0,1,0,0,0,0|3,0,0]=4 1401 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [0,1,0,0,0,0|3,0,0]=4 1402 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [0,1,0,0,0,0|3,0,0]=4 1403 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [0,1,0,0,0,0|3,0,0]=4 1404 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [0,1,0,0,0,0|3,0,0]=4 1405 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [0,1,0,0,0,0|3,0,0]=4 1406 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [0,1,0,0,0,0|3,0,0]=4 1407 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [0,1,0,0,0,0|3,0,0]=4 1408 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,1,0,0,0,0|3,0,0]=4 1409 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,1,0,0,0,0|3,0,0]=4 1410 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,1,0,0,0,0|3,0,0]=4 1411 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [0,1,0,0,0,0|3,0,0]=4 1412 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [0,1,0,0,0,0|3,0,0]=4 1413 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [0,1,0,0,0,0|1,0,2]=4 1414 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [0,1,0,0,0,0|3,0,0]=4 1415 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [0,1,0,0,0,0|3,0,0]=4 1416 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [0,1,0,0,0,0|3,0,0]=4 1417 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [0,1,0,0,0,0|3,0,0]=4 1418 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,1,0,0,0,0|1,0,2]=4 1419 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,1,0,0,0,0|1,0,2]=4 1420 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [0,1,0,0,0,0|3,0,0]=4 1421 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [0,1,0,0,0,0|3,0,0]=4 1422 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [0,1,0,0,0,0|3,0,0]=4 1423 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [0,1,0,0,0,0|3,0,0]=4 1424 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,1,0,0,0,0|3,0,0]=4 1425 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,1,0,0,0,0|3,0,0]=4 1426 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,1,0,0,0,0|3,0,0]=4 1427 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [0,1,0,0,0,0|3,0,0]=4 1428 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,1,0,0,0,0|1,0,2]=4 1429 B9R0.2 C=CCOCCOC(=O)N 34a_200000210373_200011214921 [0,1,0,0,0,0|1,0,2]=4 1430 B9R0.2 C=CCOCCOC(=O)N 7a_100000766696_100015514636 [0,1,0,0,0,0|1,0,2]=4 1431 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [0,1,0,0,0,0|3,0,0]=4 1432 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [0,1,0,0,0,0|3,0,0]=4 1433 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [0,1,0,0,0,0|3,0,0]=4 1434 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [0,1,0,0,0,0|3,0,0]=4 1435 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,1,0,0,0,0|1,0,2]=4 1436 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,1,0,0,0,0|1,0,2]=4 1437 B9R0.2 C=CCSCCOC(=O)N 62a_100000210623_200011214921 [0,1,0,0,0,0|1,0,2]=4 1438 B9R0.2 C=CCSCCOC(=O)N 62a_200011214921_100000210623 [0,1,0,0,0,0|1,0,2]=4 1439 B9R0.2 C=COCCCNC(=O)C 11a_100000210767_100015343762 [0,1,0,0,0,0|2,0,1]=4 1440 B9R0.2 C=COCCCNC(=O)C 1626a_100000210767_100015343762 [0,1,0,0,0,0|2,0,1]=4 1441 B9R0.2 C=COCCCNC(=O)C 240690a_100000210767_100015343762 [0,1,0,0,0,0|2,0,1]=4 1442 B9R0.2 C=COCCCNC(=O)C 527a_100000210767_100103153847 [0,1,0,0,0,0|2,0,1]=4 1443 B9R0.2 C=COCCCNC(C)C 2230a_100000210767_100000210206 [0,1,0,0,0,0|2,0,0]=3 1444 B9R0.2 C=COCCCNC(C)C 34a_100000210767_100000210206 [0,1,0,0,0,0|2,0,0]=3 1445 B9R0.2 C=COCCNCC(C)C 2230a_100000210953_100000039644 [0,1,0,0,0,0|2,0,0]=3 1446 B9R0.2 C=COCCNCC(C)C 34a_100000210953_100000039644 [0,1,0,0,0,0|2,0,0]=3 1447 B9R0.2 C=COCCNCC(C)O 2230a_100000210904_100000039644 [0,1,0,0,0,0|2,0,0]=3 1448 B9R0.2 C=COCCNCC(C)O 34a_100000210904_100000039644 [0,1,0,0,0,0|2,0,0]=3 1449 B9R0.2 C=COCCNCC(F)F 34a_100000765723_100000039644 [0,1,0,0,0,0|3,0,0]=4 1450 B9R0.2 C=COCCOCC(=C)C 34a_100000033082_100000748629 [0,1,0,0,0,0|2,0,1]=4 1451 B9R0.2 C=COCCOCC(=C)C 34a_100000210245_100000039644 [0,1,0,0,0,0|2,0,1]=4 1452 B9R0.2 C=COCCOCC(=O)C 34a_100000211253_100000039644 [0,1,0,0,0,0|2,0,1]=4 1453 B9R0.2 C=COCCOCC(C)Br 34a_100012180447_100000039644 [0,1,0,0,0,0|2,0,0]=3 1454 B9R0.2 C=COCCOCC(C)C 34a_100000033082_100000210624 [0,1,0,0,0,0|2,0,0]=3 1455 B9R0.2 C=COCCOCC(C)C 34a_100000210257_100000039644 [0,1,0,0,0,0|2,0,0]=3 1456 B9R0.2 C=COCCOCC(C)F 34a_100015925927_100000039644 [0,1,0,0,0,0|2,0,0]=3 1457 B9R0.2 C=COCCOCC(C)O 34a_100000033082_100011218427 [0,1,0,0,0,0|2,0,0]=3 1458 B9R0.2 C=COCCOCC(F)F 34a_100000033082_100011934356 [0,1,0,0,0,0|3,0,0]=4 1459 B9R0.2 C=COCCOCC(F)F 34a_100000743014_100000039644 [0,1,0,0,0,0|3,0,0]=4 1460 B9R0.2 C=COCCOC[C@@H](C)Cl 34a_100016084084_100000039644 [0,1,0,0,0,0|2,0,0]=3 1461 B9R0.2 C=COCCOC[C@@H](C)N 34a_100000737577_100000039644 [0,1,0,0,0,0|2,0,0]=3 1462 B9R0.2 C=COCCOC[C@@H](C)O 34a_100000033082_100009817552 [0,1,0,0,0,0|2,0,0]=3 1463 B9R0.2 C=COCCSCC(=C)C 62a_100000039644_100000211660 [0,1,0,0,0,0|2,0,1]=4 1464 B9R0.2 C=COCCSCC(=C)C 62a_100000748629_100000039644 [0,1,0,0,0,0|2,0,1]=4 1465 B9R0.2 C=COCCSCC(C)C 62a_100000039644_100000210760 [0,1,0,0,0,0|2,0,0]=3 1466 B9R0.2 C=COCCSCC(C)C 62a_100000210624_100000039644 [0,1,0,0,0,0|2,0,0]=3 1467 B9R0.2 C=COCCSCC(C)O 62a_100000039644_100011218427 [0,1,0,0,0,0|2,0,0]=3 1468 B9R0.2 C=COCCSCC(C)O 62a_100011218427_100000039644 [0,1,0,0,0,0|2,0,0]=3 1469 B9R0.2 C=COCCSCC(F)F 62a_100000039644_100011934356 [0,1,0,0,0,0|3,0,0]=4 1470 B9R0.2 C=COCCSCC(F)F 62a_100011934356_100000039644 [0,1,0,0,0,0|3,0,0]=4 1471 B9R0.2 C=COCCSC[C@@H](C)O 62a_100000039644_100009817552 [0,1,0,0,0,0|2,0,0]=3 1472 B9R0.2 C=COCCSC[C@@H](C)O 62a_100009817552_100000039644 [0,1,0,0,0,0|2,0,0]=3 1473 B9R0.2 CC#CCNCOC(=O)C 34a_100000685387_100009813279 [0,1,0,0,0,0|1,0,2]=4 1474 B9R0.2 CC#CCOCOC(=O)C 34a_100000761923_100009813279 [0,1,0,0,0,0|1,0,2]=4 1475 B9R0.2 CC#CCSCOC(=O)C 62a_100000076356_100000748600 [0,1,0,0,0,0|1,0,2]=4 1476 B9R0.2 CC#CCSCOC(=O)C 62a_100000748600_100000076356 [0,1,0,0,0,0|1,0,2]=4 1477 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,0,0,0,0|2,0,1]=4 1478 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,0,0,0,0|2,0,0]=3 1479 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|2,0,0]=3 1480 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|2,0,0]=3 1481 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,0,0,0,0|3,0,0]=4 1482 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,0,0,0,0|3,0,0]=4 1483 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,0,0,0,0|3,0,0]=4 1484 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|3,0,0]=4 1485 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,1,0,0,0,0|2,0,1]=4 1486 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,1,0,0,0,0|2,0,1]=4 1487 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,0,0,0,0|3,0,0]=4 1488 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,0,0,0,0|3,0,0]=4 1489 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,0,0,0,0|3,0,0]=4 1490 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,0,0,0,0|3,0,0]=4 1491 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|3,0,0]=4 1492 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|3,0,0]=4 1493 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,1,0,0,0,0|2,0,1]=4 1494 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,1,0,0,0,0|2,0,1]=4 1495 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,0,0,0,0|3,0,0]=4 1496 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,0,0,0,0|3,0,0]=4 1497 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|3,0,0]=4 1498 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|3,0,0]=4 1499 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|3,0,0]=4 1500 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|3,0,0]=4 1501 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|3,0,0]=4 1502 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|3,0,0]=4 1503 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,0,0,0,0|3,0,0]=4 1504 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,0,0,0,0|3,0,0]=4 1505 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,0,0,0,0|3,0,0]=4 1506 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,0,0,0,0|3,0,0]=4 1507 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,0,0,0,0|3,0,0]=4 1508 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,0,0,0,0|3,0,0]=4 1509 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 1510 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 1511 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 1512 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,1,0,0,0,0|2,0,1]=4 1513 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,0,0,0,0|2,0,0]=3 1514 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,0,0,0,0|2,0,0]=3 1515 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,0,0,0,0|2,0,0]=3 1516 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,1,0,0,0,0|3,0,0]=4 1517 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,1,0,0,0,0|3,0,0]=4 1518 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,1,0,0,0,0|3,0,0]=4 1519 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,0,0,0,0|3,0,0]=4 1520 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,0,0,0,0|3,0,0]=4 1521 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,1,0,0,0,0|3,0,0]=4 1522 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,1,0,0,0,0|3,0,0]=4 1523 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,1,0,0,0,0|3,0,0]=4 1524 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,1,0,0,0,0|3,0,0]=4 1525 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,1,0,0,0,0|3,0,0]=4 1526 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,1,0,0,0,0|3,0,0]=4 1527 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,1,0,0,0,0|3,0,0]=4 1528 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,1,0,0,0,0|3,0,0]=4 1529 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,1,0,0,0,0|3,0,0]=4 1530 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,0,0,0,0|1,0,0]=2 1531 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,0,0,0,0|1,0,0]=2 1532 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,0,0,0,0|1,0,0]=2 1533 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,0,0,0,0|1,0,0]=2 1534 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,1,0,0,0,0|2,0,0]=3 1535 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,1,0,0,0,0|2,0,0]=3 1536 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,1,0,0,0,0|2,0,0]=3 1537 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,0,0,0,0|2,0,0]=3 1538 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,1,0,0,0,0|2,0,0]=3 1539 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,1,0,0,0,0|2,0,0]=3 1540 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,1,0,0,0,0|2,0,0]=3 1541 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,1,0,0,0,0|2,0,0]=3 1542 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [0,1,0,0,0,0|2,0,1]=4 1543 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [0,1,0,0,0,0|2,0,1]=4 1544 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,1,0,0,0,0|2,0,1]=4 1545 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,1,0,0,0,0|2,0,1]=4 1546 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,1,0,0,0,0|2,0,0]=3 1547 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,1,0,0,0,0|2,0,0]=3 1548 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,1,0,0,0,0|2,0,0]=3 1549 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,1,0,0,0,0|2,0,0]=3 1550 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,1,0,0,0,0|2,0,0]=3 1551 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,1,0,0,0,0|2,0,0]=3 1552 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,1,0,0,0,0|2,0,0]=3 1553 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,1,0,0,0,0|2,0,0]=3 1554 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,1,0,0,0,0|2,0,0]=3 1555 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,1,0,0,0,0|3,0,0]=4 1556 B9R0.2 CC(=O)OCSCCC#N 62a_100000076356_100011215226 [0,1,0,0,0,0|2,0,1]=4 1557 B9R0.2 CC(=O)OCSCCC#N 62a_100011215226_100000076356 [0,1,0,0,0,0|2,0,1]=4 1558 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,1,0,0,0,0|2,0,0]=3 1559 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,1,0,0,0,0|2,0,0]=3 1560 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,1,0,0,0,0|2,0,0]=3 1561 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,1,0,0,0,0|2,0,0]=3 1562 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,0,0,0,0|1,1,0]=3 1563 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,0,0,0,0|1,1,0]=3 1564 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,1,0,0,0,0|2,1,0]=4 1565 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,1,0,0,0,0|2,1,0]=4 1566 B9R0.2 CC(=S)OCCCSCF 62a_100015361967_200135323944 [0,1,0,0,0,0|2,1,0]=4 1567 B9R0.2 CC(=S)OCCCSCF 62a_200135323944_100015361967 [0,1,0,0,0,0|2,1,0]=4 1568 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,1,0,0,0,0|3,0,0]=4 1569 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,1,0,0,0,0|3,0,0]=4 1570 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,1,0,0,0,0|3,0,0]=4 1571 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,1,0,0,0,0|3,0,0]=4 1572 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,1,0,0,0,0|3,0,0]=4 1573 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,1,0,0,0,0|3,0,0]=4 1574 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,1,0,0,0,0|1,0,1]=3 1575 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,1,0,0,0,0|1,0,1]=3 1576 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [0,1,0,0,0,0|1,1,1]=4 1577 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [0,1,0,0,0,0|1,1,1]=4 1578 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [0,1,0,0,0,0|2,0,0]=3 1579 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [0,1,0,0,0,0|2,0,0]=3 1580 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,1,0,0,0,0|2,0,0]=3 1581 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,1,0,0,0,0|2,0,0]=3 1582 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,1,0,0,0,0|2,0,0]=3 1583 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,1,0,0,0,0|2,0,0]=3 1584 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [0,1,0,0,0,0|2,0,0]=3 1585 B9R0.2 CC(C)CNCCOCF 34a_100015185251_100015361967 [0,1,0,0,0,0|2,0,1]=4 1586 B9R0.2 CC(C)COCCOCF 34a_100000703358_100015361967 [0,1,0,0,0,0|2,0,1]=4 1587 B9R0.2 CC(C)COCCOCF 7a_100000703358_100015361967 [0,1,0,0,0,0|2,0,1]=4 1588 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,1,0,0,0,0|2,0,0]=3 1589 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,1,0,0,0,0|2,0,0]=3 1590 B9R0.2 CC(C)CSCCOCF 34a_200000230437_100015361967 [0,1,0,0,0,0|2,0,1]=4 1591 B9R0.2 CC(C)CSCCOCF 7a_200000230437_100015361967 [0,1,0,0,0,0|2,0,1]=4 1592 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,1,0,0,0,0|2,0,0]=3 1593 B9R0.2 CC(C)NCCCOCF 34a_100000182298_100015361967 [0,1,0,0,0,0|2,0,1]=4 1594 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [0,1,0,0,0,0|3,0,0]=4 1595 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [0,1,0,0,0,0|2,0,1]=4 1596 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [0,1,0,0,0,0|2,0,1]=4 1597 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [0,1,0,0,0,0|2,0,1]=4 1598 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [0,1,0,0,0,0|2,0,1]=4 1599 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [0,1,0,0,0,0|2,0,1]=4 1600 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [0,1,0,0,0,0|2,0,1]=4 1601 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [0,1,0,0,0,0|2,0,1]=4 1602 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [0,1,0,0,0,0|2,0,1]=4 1603 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,1,0,0,0,0|2,0,1]=4 1604 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [0,1,0,0,0,0|3,0,0]=4 1605 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [0,1,0,0,0,0|3,0,0]=4 1606 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [0,1,0,0,0,0|3,0,0]=4 1607 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [0,1,0,0,0,0|3,0,0]=4 1608 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [0,1,0,0,0,0|3,0,0]=4 1609 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [0,1,0,0,0,0|3,0,0]=4 1610 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [0,1,0,0,0,0|2,0,0]=3 1611 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [0,1,0,0,0,0|2,0,0]=3 1612 B9R0.2 CC(C)SCCNCC=O 2230a_100000731138_200015260668 [0,1,0,0,0,0|3,0,0]=4 1613 B9R0.2 CC(C)SCCNCC=O 34a_100000731138_200009817547 [0,1,0,0,0,0|3,0,0]=4 1614 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [0,1,0,0,0,0|3,0,0]=4 1615 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [0,1,0,0,0,0|3,0,0]=4 1616 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [0,1,0,0,0,0|3,0,0]=4 1617 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [0,1,0,0,0,0|3,0,0]=4 1618 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,1,0,0,0,0|2,0,0]=3 1619 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,1,0,0,0,0|2,0,0]=3 1620 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [0,1,0,0,0,0|2,0,0]=3 1621 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,1,0,0,0,0|2,0,0]=3 1622 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,1,0,0,0,0|2,0,0]=3 1623 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [0,1,0,0,0,0|3,0,0]=4 1624 B9R0.2 CC=CCNCCC(C)O 2230a_200000755665_100000070051 [0,1,0,0,0,0|3,0,0]=4 1625 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [0,1,0,0,0,0|3,0,0]=4 1626 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [0,1,0,0,0,0|3,0,0]=4 1627 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [0,1,0,0,0,0|3,0,0]=4 1628 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [0,1,0,0,0,0|3,0,0]=4 1629 B9R0.2 CC=CCSCCC(C)C 62a_100000070051_100000210312 [0,1,0,0,0,0|3,0,0]=4 1630 B9R0.2 CC=CCSCCC(C)C 62a_100000210312_100000070051 [0,1,0,0,0,0|3,0,0]=4 1631 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [0,1,0,0,0,0|3,0,0]=4 1632 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [0,1,0,0,0,0|3,0,0]=4 1633 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [0,1,0,0,0,0|1,0,2]=4 1634 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [0,1,0,0,0,0|1,0,2]=4 1635 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,0,0,0,0|1,0,2]=4 1636 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,0,0,0,0|1,0,2]=4 1637 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,1,0,0,0,0|2,0,1]=4 1638 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,0,0,0,0|1,0,1]=3 1639 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,0,0,0,0|1,0,1]=3 1640 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,0,0,0,0|1,0,1]=3 1641 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,0,0,0,0|1,0,1]=3 1642 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|1,0,0]=2 1643 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|1,0,0]=2 1644 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|1,0,0]=2 1645 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1646 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,1,0,0,0,0|3,0,0]=4 1647 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1648 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,1,0,0,0,0|3,0,0]=4 1649 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1650 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1651 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,0,0,0,0|1,0,0]=2 1652 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,0,0,0,0|1,0,0]=2 1653 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,0,0,0,0|1,0,0]=2 1654 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,0,0,0,0|1,0,0]=2 1655 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,1,0,0,0,0|2,0,1]=4 1656 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,1,0,0,0,0|2,0,1]=4 1657 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,1,0,0,0,0|2,0,1]=4 1658 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,1,0,0,0,0|1,0,1]=3 1659 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,1,0,0,0,0|1,0,1]=3 1660 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,1,0,0,0,0|1,0,1]=3 1661 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,1,0,0,0,0|1,1,1]=4 1662 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,1,0,0,0,0|1,1,1]=4 1663 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,0,0,0,0|2,0,0]=3 1664 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,0,0,0,0|2,0,0]=3 1665 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,0,0,0,0|2,0,0]=3 1666 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,0,0,0,0|2,0,0]=3 1667 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,0,0,0,0|2,0,0]=3 1668 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,0,0,0,0|2,0,0]=3 1669 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,0,0,0,0|2,0,0]=3 1670 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,0,0,0,0|2,0,0]=3 1671 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,1,0,0,0,0|3,0,0]=4 1672 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,0,0,0,0|2,0,0]=3 1673 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,0,0,0,0|2,0,0]=3 1674 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,0,0,0,0|2,0,0]=3 1675 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,0,0,0,0|2,0,0]=3 1676 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,1,0,0,0,0|3,0,0]=4 1677 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,1,0,0,0,0|3,0,0]=4 1678 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,1,0,0,0,0|3,0,0]=4 1679 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,1,0,0,0,0|3,0,0]=4 1680 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|2,0,0]=3 1681 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,0,0,0,0|2,0,0]=3 1682 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,0,0,0,0|2,0,0]=3 1683 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [0,1,0,0,0,0|2,0,1]=4 1684 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,0,0,0,0|3,0,0]=4 1685 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,1,0,0,0,0|3,0,0]=4 1686 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,1,0,0,0,0|3,0,0]=4 1687 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,1,0,0,0,0|3,0,0]=4 1688 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|2,0,0]=3 1689 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|2,0,0]=3 1690 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|2,0,0]=3 1691 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|2,0,0]=3 1692 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,0,0,0,0|2,0,0]=3 1693 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,0,0,0,0|2,0,0]=3 1694 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,0,0,0,0|2,0,0]=3 1695 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,0,0,0,0|2,0,0]=3 1696 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,0,0,0,0|1,0,0]=2 1697 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [0,1,0,0,0,0|2,0,1]=4 1698 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [0,1,0,0,0,0|2,0,1]=4 1699 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,1,0,0,0,0|3,0,0]=4 1700 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,1,0,0,0,0|3,0,0]=4 1701 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|2,0,0]=3 1702 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|2,0,0]=3 1703 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,0,0,0,0|2,0,0]=3 1704 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,0,0,0,0|2,0,0]=3 1705 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,0,0,0,0|1,0,0]=2 1706 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,0,0,0,0|1,0,0]=2 1707 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [0,1,0,0,0,0|2,0,1]=4 1709 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,0,0,0,0|2,0,0]=3 1710 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,0,0,0,0|3,0,0]=4 1711 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,0,0,0,0|2,0,0]=3 1712 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,0,0,0,0|2,0,0]=3 1713 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,1,0,0,0,0|2,0,1]=4 1714 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,1,0,0,0,0|3,0,0]=4 1716 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [0,1,0,0,0,0|3,0,0]=4 1717 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,0,0,0,0|2,0,0]=3 1718 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,0,0,0,0|2,0,0]=3 1719 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,0,0,0,0|2,0,0]=3 1720 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,0,0,0,0|2,0,0]=3 1721 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,1,0,0,0,0|3,0,0]=4 1722 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,0,0,0,0|2,0,0]=3 1723 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,0,0,0,0|2,0,0]=3 1724 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,0,0,0,0|2,0,0]=3 1725 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,0,0,0,0|2,0,0]=3 1726 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,0,0,0,0|2,0,0]=3 1727 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,0,0,0,0|1,0,0]=2 1728 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,0,0,0,0|1,0,0]=2 1729 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,0,0,0,0|1,0,0]=2 1730 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,1,0,0,0,0|2,0,1]=4 1731 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,1,0,0,0,0|2,0,1]=4 1732 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,1,0,0,0,0|2,0,1]=4 1733 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,1,0,0,0,0|2,0,1]=4 1734 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,1,0,0,0,0|2,0,1]=4 1735 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,1,0,0,0,0|2,0,1]=4 1736 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,1,0,0,0,0|3,0,0]=4 1737 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,1,0,0,0,0|3,0,0]=4 1738 B9R0.2 CCCSCCC=C(F)F 62a_100000210303_200009816681 [0,1,0,0,0,0|3,0,0]=4 1739 B9R0.2 CCCSCCC=C(F)F 62a_200009816681_100000210303 [0,1,0,0,0,0|3,0,0]=4 1740 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,0,0,0,0|2,0,0]=3 1741 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,0,0,0,0|2,0,0]=3 1742 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,0,0,0,0|2,0,0]=3 1743 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,0,0,0,0|2,0,0]=3 1744 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,0,0,0,0|2,0,0]=3 1745 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,0,0,0,0|2,0,0]=3 1746 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,0,0,0,0|2,0,0]=3 1747 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,0,0,0,0|2,0,0]=3 1748 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,0,0,0,0|2,0,0]=3 1749 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,0,0,0,0|2,0,0]=3 1750 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,0,0,0,0|2,0,0]=3 1751 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,0,0,0,0|1,0,0]=2 1752 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,0,0,0,0|1,0,0]=2 1753 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,0,0,0,0|1,0,0]=2 1754 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,0,0,0,0|1,0,0]=2 1755 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,0,0,0,0|2,0,0]=3 1760 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,1,0,0,0,0|2,0,1]=4 1761 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,0,0,0,0|2,0,0]=3 1762 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,1,0,0,0,0|1,1,0]=3 1763 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [0,1,0,0,0,0|2,0,1]=4 1764 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [0,1,0,0,0,0|2,0,1]=4 1765 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,0,0,0,0|1,1,0]=3 1766 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,1,0,0,0,0|3,0,0]=4 1767 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,0,0,0,0|3,0,0]=4 1768 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,0,0,0,0|2,0,0]=3 1769 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,0,0,0,0|2,0,0]=3 1770 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,0,0,0,0|2,0,0]=3 1771 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,1,0,0,0,0|1,0,1]=3 1772 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,1,0,0,0,0|1,0,1]=3 1773 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,1,0,0,0,0|1,0,1]=3 1774 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,1,0,0,0,0|3,0,0]=4 1775 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,1,0,0,0,0|3,0,0]=4 1776 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,0,0,0,0|2,0,0]=3 1777 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,0,0,0,0|2,0,0]=3 1778 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,0,0,0,0|2,0,0]=3 1779 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,0,0,0,0|2,0,0]=3 1780 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,0,0,0,0|2,0,0]=3 1781 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [0,1,0,0,0,0|2,0,1]=4 1782 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [0,1,0,0,0,0|2,0,1]=4 1783 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,0,0,0,0|1,0,0]=2 1787 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,1,0,0,0,0|1,1,0]=3 1788 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [0,1,0,0,0,0|2,0,1]=4 1789 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [0,1,0,0,0,0|2,0,1]=4 1790 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [0,1,0,0,0,0|2,0,1]=4 1791 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,0,0,0,0|1,1,0]=3 1792 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [0,1,0,0,0,0|2,0,1]=4 1793 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [0,1,0,0,0,0|2,0,1]=4 1794 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,1,0,0,0,0|3,0,0]=4 1795 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,1,0,0,0,0|3,0,0]=4 1796 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,1,0,0,0,0|3,0,0]=4 1797 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,0,0,0,0|3,0,0]=4 1798 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,1,0,0,0,0|3,0,0]=4 1799 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [0,1,0,0,0,0|2,0,1]=4 1800 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [0,1,0,0,0,0|2,0,1]=4 1801 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [0,1,0,0,0,0|2,0,1]=4 1802 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [0,1,0,0,0,0|2,0,1]=4 1803 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [0,1,0,0,0,0|2,0,1]=4 1804 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [0,1,0,0,0,0|2,0,1]=4 1805 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,1,0,0,0,0|2,0,1]=4 1806 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,1,0,0,0,0|2,0,1]=4 1807 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,1,0,0,0,0|2,0,1]=4 1808 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,1,0,0,0,0|2,0,1]=4 1810 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,1,0,0,0,0|3,0,0]=4 1812 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,0,0,0,0|3,0,0]=4 1813 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,1,0,0,0,0|3,0,0]=4 1814 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,1,0,0,0,0|3,0,0]=4 1815 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,1,0,0,0,0|3,0,0]=4 1816 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,1,0,0,0,0|3,0,0]=4 1817 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [0,1,0,0,0,0|2,0,1]=4 1818 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [0,1,0,0,0,0|2,0,1]=4 1819 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [0,1,0,0,0,0|2,0,1]=4 1820 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [0,1,0,0,0,0|2,0,1]=4 1821 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [0,1,0,0,0,0|2,0,1]=4 1822 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [0,1,0,0,0,0|2,0,1]=4 1823 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [0,1,0,0,0,0|2,0,1]=4 1824 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,1,0,0,0,0|2,0,1]=4 1825 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,1,0,0,0,0|2,0,1]=4 1826 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,1,0,0,0,0|2,0,1]=4 1829 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,1,0,0,0,0|2,0,1]=4 1830 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,1,0,0,0,0|3,0,0]=4 1831 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,1,0,0,0,0|3,0,0]=4 1832 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,1,0,0,0,0|3,0,0]=4 1833 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,1,0,0,0,0|3,0,0]=4 1834 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [0,1,0,0,0,0|2,0,1]=4 1835 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [0,1,0,0,0,0|2,0,1]=4 1836 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [0,1,0,0,0,0|2,0,1]=4 1837 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [0,1,0,0,0,0|2,0,1]=4 1838 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,1,0,0,0,0|2,0,1]=4 1839 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,1,0,0,0,0|2,0,1]=4 1840 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,1,0,0,0,0|2,0,1]=4 1841 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,1,0,0,0,0|2,0,1]=4 1842 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,0,0,0,0|3,0,0]=4 1843 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,0,0,0,0|3,0,0]=4 1844 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,1,0,0,0,0|3,0,0]=4 1845 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,1,0,0,0,0|3,0,0]=4 1846 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [0,1,0,0,0,0|2,0,1]=4 1847 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [0,1,0,0,0,0|2,0,1]=4 1848 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,1,0,0,0,0|2,0,1]=4 1849 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,1,0,0,0,0|2,0,1]=4 1850 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,1,0,0,0,0|2,0,0]=3 1851 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,1,0,0,0,0|2,0,0]=3 1852 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,0,0,0,0|2,0,0]=3 1853 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,0,0,0,0|2,0,0]=3 1854 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,1,0,0,0,0|1,1,1]=4 1855 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,1,0,0,0,0|1,1,1]=4 1856 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,0,0,0,0|1,0,0]=2 1857 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,0,0,0,0|1,0,0]=2 1858 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,1,0,0,0,0|1,1,0]=3 1859 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,1,0,0,0,0|1,1,0]=3 1860 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [0,1,0,0,0,0|2,0,1]=4 1861 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [0,1,0,0,0,0|2,0,1]=4 1862 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,0,0,0,0|1,1,0]=3 1863 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,0,0,0,0|1,1,0]=3 1864 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,1,0,0,0,0|3,0,0]=4 1865 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,1,0,0,0,0|3,0,0]=4 1866 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,0,0,0,0|3,0,0]=4 1867 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,0,0,0,0|3,0,0]=4 1868 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,1,0,0,0,0|3,0,0]=4 1869 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,1,0,0,0,0|3,0,0]=4 1870 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,1,0,0,0,0|3,0,0]=4 1871 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,1,0,0,0,0|3,0,0]=4 1872 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,1,0,0,0,0|3,0,0]=4 1873 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,1,0,0,0,0|3,0,0]=4 1874 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,1,0,0,0,0|3,0,0]=4 1875 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,1,0,0,0,0|3,0,0]=4 1876 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,1,0,0,0,0|3,0,0]=4 1877 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,1,0,0,0,0|2,0,0]=3 1878 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,1,0,0,0,0|2,0,0]=3 1879 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [0,1,0,0,0,0|3,0,0]=4 1880 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,0,0,0,0|2,0,0]=3 1881 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,0,0,0,0|2,0,0]=3 1882 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,0,0,0,0|2,0,0]=3 1883 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,1,0,0,0,0|3,0,0]=4 1884 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,1,0,0,0,0|3,0,0]=4 1885 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,1,0,0,0,0|3,0,0]=4 1886 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,1,0,0,0,0|3,0,0]=4 1887 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,1,0,0,0,0|3,0,0]=4 1888 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,0,0,0,0|2,0,0]=3 1889 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,0,0,0,0|2,0,0]=3 1890 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,0,0,0,0|1,0,0]=2 1891 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,0,0,0,0|1,0,0]=2 1892 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [0,1,0,0,0,0|2,0,0]=3 1893 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [0,1,0,0,0,0|2,0,0]=3 1894 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,0,0,0,0|1,1,0]=3 1895 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,0,0,0,0|1,1,0]=3 1896 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,0,0,0,0|1,1,0]=3 1897 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,0,0,0,0|3,0,0]=4 1898 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,0,0,0,0|3,0,0]=4 1899 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,1,0,0,0,0|2,0,0]=3 1900 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|2,0,0]=3 1901 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,0,0,0,0|2,0,0]=3 1902 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,0,0,0,0|2,0,0]=3 1903 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,0,0,0,0|2,0,0]=3 1904 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|2,0,0]=3 1905 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,0,0,0,0|2,0,0]=3 1906 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,1,0,0,0,0|3,0,0]=4 1907 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,1,0,0,0,0|3,0,0]=4 1908 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,1,0,0,0,0|3,0,0]=4 1909 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,0,0,0,0|1,0,0]=2 1910 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,0,0,0,0|1,0,0]=2 1911 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,0,0,0,0|1,0,0]=2 1912 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [0,1,0,0,0,0|2,0,1]=4 1913 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [0,1,0,0,0,0|2,0,1]=4 1914 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [0,1,0,0,0,0|2,0,0]=3 1915 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,0,0,0,0|1,1,0]=3 1916 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,1,0,0,0,0|3,0,0]=4 1917 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,1,0,0,0,0|3,0,0]=4 1918 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,0,0,0,0|3,0,0]=4 1919 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,1,0,0,0,0|3,0,0]=4 1920 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,1,0,0,0,0|3,0,0]=4 1921 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,0,0,0,0|3,0,0]=4 1922 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,0,0,0,0|3,0,0]=4 1923 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,0,0,0,0|3,0,0]=4 1924 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,1,0,0,0,0|3,0,0]=4 1925 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,1,0,0,0,0|3,0,0]=4 1926 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,1,0,0,0,0|3,0,0]=4 1927 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,1,0,0,0,0|3,0,0]=4 1928 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,1,0,0,0,0|3,0,0]=4 1929 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,0,0,0,0|3,0,0]=4 1930 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,0,0,0,0|3,0,0]=4 1931 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,0,0,0,0|3,0,0]=4 1932 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,0,0,0,0|3,0,0]=4 1933 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,1,0,0,0,0|3,0,0]=4 1934 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,1,0,0,0,0|3,0,0]=4 1935 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,1,0,0,0,0|3,0,0]=4 1936 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,0,0,0,0|3,0,0]=4 1937 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,1,0,0,0,0|2,0,0]=3 1938 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,0,0,0,0|3,0,0]=4 1939 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,0,0,0,0|3,0,0]=4 1940 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,1,0,0,0,0|3,0,0]=4 1941 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,1,0,0,0,0|3,0,0]=4 1942 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,1,0,0,0,0|2,0,0]=3 1943 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,1,0,0,0,0|2,0,0]=3 1944 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,1,0,0,0,0|3,0,0]=4 1945 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,1,0,0,0,0|2,0,0]=3 1946 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,0,0,0,0|3,0,0]=4 1947 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,0,0,0,0|3,0,0]=4 1948 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,1,0,0,0,0|3,0,0]=4 1949 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,1,0,0,0,0|3,0,0]=4 1950 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,1,0,0,0,0|3,0,0]=4 1951 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,1,0,0,0,0|3,0,0]=4 1952 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [0,1,0,0,0,0|3,0,0]=4 1953 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [0,1,0,0,0,0|3,0,0]=4 1954 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,1,0,0,0,0|2,0,0]=3 1955 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,1,0,0,0,0|2,0,0]=3 1956 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,1,0,0,0,0|2,0,0]=3 1957 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,1,0,0,0,0|2,0,0]=3 1958 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [0,1,0,0,0,0|3,0,0]=4 1959 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,0,0,0,0|2,0,0]=3 1960 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,0,0,0,0|2,0,0]=3 1961 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,1,0,0,0,0|3,0,0]=4 1962 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,1,0,0,0,0|3,0,0]=4 1963 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,0,0,0,0|1,0,0]=2 1964 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,0,0,0,0|1,0,0]=2 1965 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [0,1,0,0,0,0|2,0,1]=4 1966 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [0,1,0,0,0,0|2,0,1]=4 1967 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [0,1,0,0,0,0|2,0,0]=3 1968 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,0,0,0,0|1,1,0]=3 1969 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,0,0,0,0|1,1,0]=3 1970 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,1,0,0,0,0|3,0,0]=4 1971 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,0,0,0,0|3,0,0]=4 1972 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,0,0,0,0|3,0,0]=4 1973 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,0,0,0,0|3,0,0]=4 1974 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,1,0,0,0,0|3,0,0]=4 1975 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,0,0,0,0|3,0,0]=4 1976 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,0,0,0,0|3,0,0]=4 1977 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,0,0,0,0|3,0,0]=4 1978 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,1,0,0,0,0|3,0,0]=4 1979 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,1,0,0,0,0|3,0,0]=4 1980 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,1,0,0,0,0|3,0,0]=4 1981 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,1,0,0,0,0|3,0,0]=4 1982 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,1,0,0,0,0|2,0,0]=3 1983 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,0,0,0,0|3,0,0]=4 1984 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,0,0,0,0|3,0,0]=4 1985 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,1,0,0,0,0|3,0,0]=4 1986 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,1,0,0,0,0|3,0,0]=4 1987 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,1,0,0,0,0|2,0,0]=3 1988 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,1,0,0,0,0|2,0,0]=3 1989 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,1,0,0,0,0|3,0,0]=4 1990 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,1,0,0,0,0|3,0,0]=4 1991 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [0,1,0,0,0,0|3,0,0]=4 1992 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,0,0,0,0|3,0,0]=4 1993 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,1,0,0,0,0|3,0,0]=4 1994 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [0,1,0,0,0,0|3,0,0]=4 1995 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,1,0,0,0,0|2,0,0]=3 1996 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,1,0,0,0,0|2,0,0]=3 1997 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,0,0,0,0|3,0,0]=4 1998 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,0,0,0,0|3,0,0]=4 1999 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,1,0,0,0,0|3,0,0]=4 2000 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,1,0,0,0,0|3,0,0]=4 2001 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,1,0,0,0,0|3,0,0]=4 2002 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,1,0,0,0,0|3,0,0]=4 2003 B9R0.2 CSCSCCNC(=O)N 62a_100011218213_200000034859 [0,1,0,0,0,0|3,0,0]=4 2004 B9R0.2 CSCSCCNC(=O)N 62a_200000034859_100011218213 [0,1,0,0,0,0|3,0,0]=4 2005 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,1,0,0,0,0|2,0,0]=3 2006 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,1,0,0,0,0|2,0,0]=3 2007 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,1,0,0,0,0|2,0,0]=3 2008 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,1,0,0,0,0|2,0,0]=3 2009 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,1,0,0,0,0|2,0,0]=3 2010 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,1,0,0,0,0|2,0,0]=3 2011 B9R0.2 N#CCOCCOC(=O)N 7a_100000766696_100011215382 [0,1,0,0,0,0|2,0,1]=4 2012 B9R0.2 N#CCSCCOC(=O)N 62a_100011215382_200011214921 [0,1,0,0,0,0|2,0,1]=4 2013 B9R0.2 N#CCSCCOC(=O)N 62a_200011214921_100011215382 [0,1,0,0,0,0|2,0,1]=4 2014 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,1,0,0,0,0|3,0,0]=4 2015 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,1,0,0,0,0|3,0,0]=4 2016 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,1,0,0,0,0|3,0,0]=4 2017 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,1,0,0,0,0|3,0,0]=4 2018 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,1,0,0,0,0|3,0,0]=4 2019 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,1,0,0,0,0|3,0,0]=4 2020 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,1,0,0,0,0|3,0,0]=4 2021 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,1,0,0,0,0|3,0,0]=4 2022 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,1,0,0,0,0|3,0,0]=4 2023 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,1,0,0,0,0|3,0,0]=4 2024 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,1,0,0,0,0|3,0,0]=4 2025 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,1,0,0,0,0|3,0,0]=4 2026 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,1,0,0,0,0|3,0,0]=4 2027 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,1,0,0,0,0|3,0,0]=4 2028 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,1,0,0,0,0|3,0,0]=4 2029 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,1,0,0,0,0|3,0,0]=4 2030 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,1,0,0,0,0|3,0,0]=4 2031 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,1,0,0,0,0|3,0,0]=4 2032 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,1,0,0,0,0|3,0,0]=4 2033 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,1,0,0,0,0|3,0,0]=4 2034 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,1,0,0,0,0|3,0,0]=4 2035 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,1,0,0,0,0|3,0,0]=4 2036 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,1,0,0,0,0|3,0,0]=4 2037 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,1,0,0,0,0|3,0,0]=4 2038 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,1,0,0,0,0|3,0,0]=4 2039 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,1,0,0,0,0|3,0,0]=4 2040 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,1,0,0,0,0|3,0,0]=4 2041 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,1,0,0,0,0|3,0,0]=4 2042 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,1,0,0,0,0|3,0,0]=4 2043 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,1,0,0,0,0|3,0,0]=4 2044 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,1,0,0,0,0|3,0,0]=4 2045 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,1,0,0,0,0|3,0,0]=4 2046 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,1,0,0,0,0|3,0,0]=4 2047 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,1,0,0,0,0|3,0,0]=4 2048 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,1,0,0,0,0|3,0,0]=4 2049 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,1,0,0,0,0|3,0,0]=4 2050 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,1,0,0,0,0|3,0,0]=4 2051 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,1,0,0,0,0|3,0,0]=4 2052 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,1,0,0,0,0|3,0,0]=4 2053 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [0,1,0,0,0,0|3,0,0]=4 2054 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,1,0,0,0,0|3,0,0]=4 2055 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,1,0,0,0,0|3,0,0]=4 2056 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [0,1,0,0,0,0|3,0,0]=4 2057 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [0,1,0,0,0,0|3,0,0]=4 2058 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [0,1,0,0,0,0|3,0,0]=4 2059 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [0,1,0,0,0,0|3,0,0]=4 2060 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [0,1,0,0,0,0|3,0,0]=4 2061 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [0,1,0,0,0,0|3,0,0]=4 2062 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,1,0,0,0,0|2,0,0]=3 2063 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,1,0,0,0,0|2,0,0]=3 2064 B9R0.2 NC(=O)OCCOCC=O 7a_100000766696_200015260668 [0,1,0,0,0,0|2,0,1]=4 2065 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,1,0,0,0,0|2,0,0]=3 2066 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,1,0,0,0,0|2,0,0]=3 2067 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,1,0,0,0,0|2,0,0]=3 2068 B9R0.2 NC(=O)OCCSCC=O 62a_200011214921_200015260668 [0,1,0,0,0,0|2,0,1]=4 2069 B9R0.2 NC(=O)OCCSCC=O 62a_200015260668_200011214921 [0,1,0,0,0,0|2,0,1]=4 2070 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,1,0,0,0,0|2,0,0]=3 2071 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,1,0,0,0,0|2,0,0]=3 2072 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,1,0,0,0,0|2,0,0]=3 2073 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,1,0,0,0,0|2,0,0]=3 2074 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,1,0,0,0,0|3,0,0]=4 2075 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,1,0,0,0,0|3,0,0]=4 2076 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,1,0,0,0,0|3,0,0]=4 2077 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,1,0,0,0,0|3,0,0]=4 2078 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,1,0,0,0,0|2,0,0]=3 2079 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,0,0,0,0|3,0,0]=4 2080 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,0,0,0,0|3,0,0]=4 2081 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,1,0,0,0,0|3,0,0]=4 2082 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,1,0,0,0,0|3,0,0]=4 2083 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,1,0,0,0,0|3,0,0]=4 2084 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,1,0,0,0,0|3,0,0]=4 2085 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,1,0,0,0,0|3,0,0]=4 2086 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,1,0,0,0,0|3,0,0]=4 2087 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,1,0,0,0,0|3,0,0]=4 2088 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,1,0,0,0,0|3,0,0]=4 2089 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,1,0,0,0,0|3,0,0]=4 2090 B9R0.2 O=CCCCSCC(F)F 62a_100011934356_200011292268 [0,1,0,0,0,0|3,0,0]=4 2091 B9R0.2 O=CCCCSCC(F)F 62a_200011292268_100011934356 [0,1,0,0,0,0|3,0,0]=4 2092 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|2,0,0]=3 2093 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,0,0,0,0|2,0,0]=3 2094 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,0,0,0,0|2,0,0]=3 2095 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,0,0,0,0|2,0,0]=3 2096 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,0,0,0,0|2,0,0]=3 2097 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,0,0,0,0|2,0,0]=3 2098 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [0,1,0,0,0,0|2,0,0]=3 2099 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,1,0,0,0,0|3,0,0]=4 2100 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [0,1,0,0,0,0|3,0,0]=4 2101 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [0,1,0,0,0,0|3,0,0]=4 2102 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [0,1,0,0,0,0|3,0,0]=4 2103 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [0,1,0,0,0,0|3,0,0]=4 2104 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [0,1,0,0,0,0|3,0,0]=4 2105 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|2,0,1]=4 2106 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|2,0,1]=4 2107 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [0,1,0,0,0,0|3,0,0]=4 2108 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [0,1,0,0,0,0|3,0,0]=4 2109 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,0,0,0,0|2,0,1]=4 2110 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,0,0,0,0|2,0,1]=4 2111 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [0,1,0,0,0,0|3,0,0]=4 2112 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [0,1,0,0,0,0|3,0,0]=4 2113 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [0,1,0,0,0,0|3,0,0]=4 2114 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [0,1,0,0,0,0|3,0,0]=4 2115 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [0,1,0,0,0,0|3,0,0]=4 2116 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,1,0,0,0,0|3,0,0]=4 2117 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,1,0,0,0,0|3,0,0]=4 2118 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,1,0,0,0,0|3,0,0]=4 2119 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,1,0,0,0,0|3,0,0]=4 2120 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,1,0,0,0,0|3,0,0]=4 2121 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [0,1,0,0,0,0|3,0,0]=4 2122 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [0,1,0,0,0,0|3,0,0]=4 2123 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [0,1,0,0,0,0|3,0,0]=4 2124 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [0,1,0,0,0,0|3,0,0]=4 2125 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [0,1,0,0,0,0|3,0,0]=4 2126 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [0,1,0,0,0,0|3,0,0]=4 2127 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [0,1,0,0,0,0|3,0,0]=4 2128 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [0,1,0,0,0,0|3,0,0]=4 2129 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [0,1,0,0,0,0|3,0,0]=4 2130 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [0,1,0,0,0,0|3,0,0]=4 2131 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [0,1,0,0,0,0|3,0,0]=4 2132 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [0,1,0,0,0,0|3,0,0]=4 2133 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,1,0,0,0,0|3,0,0]=4 2134 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,1,0,0,0,0|3,0,0]=4 2135 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [0,1,0,0,0,0|3,0,0]=4 2136 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,0,0,0,0|2,0,1]=4 2137 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,0,0,0,0|2,0,1]=4 2138 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,0,0,0,0|2,0,1]=4 2139 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,1,0,0,0,0|1,0,1]=3 2140 B9R0.5 C=COCCC(=O)CCO 1458a_100011216618_100000039644 [0,1,0,0,0,0|2,0,1]=4 2141 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [0,1,0,0,0,0|2,0,1]=4 2142 B9R0.5 C=COCCC(=O)CSC 1458a_100000184570_100000039644 [0,1,0,0,0,0|2,0,1]=4 2143 B9R0.5 C=COCCN(C)CCC 2230a_100000747261_100000039644 [0,1,0,0,0,0|2,0,0]=3 2144 B9R0.5 C=COCCN(C)CCC 269982a_100000747261_100000039644 [0,1,0,0,0,0|2,0,0]=3 2145 B9R0.5 C=COCCN(C)CCO 2230a_100000210263_100000039644 [0,1,0,0,0,0|3,0,0]=4 2146 B9R0.5 C=COCCN(C)CCO 269982a_100000210263_100000039644 [0,1,0,0,0,0|3,0,0]=4 2147 B9R0.5 CC(CCN)COCC=O 34a_106354213184_200009817547 [0,1,0,0,0,0|3,0,0]=4 2148 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|2,0,1]=4 2149 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [0,1,0,0,0,0|3,0,0]=4 2150 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [0,1,0,0,0,0|3,0,0]=4 2151 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [0,1,0,0,0,0|3,0,0]=4 2152 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [0,1,0,0,0,0|3,0,0]=4 2153 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [0,1,0,0,0,0|3,0,0]=4 2154 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|1,0,2]=4 2155 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|1,0,2]=4 2156 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,1,0,0,0,0|2,0,1]=4 2157 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,1,0,0,0,0|2,0,1]=4 2158 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,1,0,0,0,0|3,0,0]=4 2159 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,1,0,0,0,0|3,0,0]=4 2160 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,1,0,0,0,0|3,0,0]=4 2161 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,1,0,0,0,0|3,0,0]=4 2162 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,1,0,0,0,0|1,0,1]=3 2163 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,1,0,0,0,0|1,0,1]=3 2164 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [0,1,0,0,0,0|1,0,1]=3 2165 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [0,1,0,0,0,0|1,0,1]=3 2166 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [0,1,0,0,0,0|2,0,0]=3 2167 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [0,1,0,0,0,0|2,0,0]=3 2168 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [0,1,0,0,0,0|2,0,0]=3 2169 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [0,1,0,0,0,0|2,0,0]=3 2170 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [0,1,0,0,0,0|2,0,1]=4 2171 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [0,1,0,0,0,0|2,0,1]=4 2172 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,0,0,0,0|2,0,1]=4 2173 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,0,0,0,0|2,0,1]=4 2174 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,0,0,0,0|2,0,1]=4 2175 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,1,0,0,0,0|2,0,1]=4 2176 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,1,0,0,0,0|2,0,1]=4 2177 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,1,0,0,0,0|2,0,1]=4 2178 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,0,0,0,0|1,0,1]=3 2179 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,0,0,0,0|1,0,1]=3 2180 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,0,0,0,0|1,0,1]=3 2181 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,1,0,0,0,0|1,0,1]=3 2182 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,1,0,0,0,0|1,0,1]=3 2183 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,1,0,0,0,0|1,1,1]=4 2184 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,1,0,0,0,0|1,1,1]=4 2185 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,1,0,0,0,0|1,1,1]=4 2186 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,1,0,0,0,0|1,1,1]=4 2187 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [0,1,0,0,0,0|2,0,0]=3 2188 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [0,1,0,0,0,0|2,0,0]=3 2189 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [0,1,0,0,0,0|2,0,0]=3 2190 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [0,1,0,0,0,0|2,0,0]=3 2191 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,1,0,0,0,0|2,0,1]=4 2192 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,1,0,0,0,0|2,0,1]=4 2193 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,1,0,0,0,0|1,0,1]=3 2194 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [0,1,0,0,0,0|1,0,1]=3 2195 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [0,1,0,0,0,0|2,0,0]=3 2196 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,1,0,0,0,0|2,0,1]=4 2197 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,0,0,0,0|2,0,1]=4 2198 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,0,0,0,0|2,0,1]=4 2199 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [0,1,0,0,0,0|3,0,0]=4 2200 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [0,1,0,0,0,0|3,0,0]=4 2201 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [0,1,0,0,0,0|3,0,0]=4 2202 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [0,1,0,0,0,0|3,0,0]=4 2203 B9R0.5 COCC(N)COCC=O 34a_100000724102_200009817547 [0,1,0,0,0,0|3,0,0]=4 2204 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [0,1,0,0,0,0|3,0,0]=4 2205 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [0,1,0,0,0,0|3,0,0]=4 2206 B9R0.5 COCC(O)CSCC=O 62a_100011215053_200015260668 [0,1,0,0,0,0|3,0,0]=4 2207 B9R0.5 COCC(O)CSCC=O 62a_200015260668_100011215053 [0,1,0,0,0,0|3,0,0]=4 2208 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [0,1,0,0,0,0|2,0,1]=4 2209 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [0,1,0,0,0,0|2,0,1]=4 2210 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [0,1,0,0,0,0|3,0,0]=4 2211 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [0,1,0,0,0,0|3,0,0]=4 2212 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,1,0,0,0,0|2,0,1]=4 2213 B9R0.18 C/C=C/CN(C)CCCC 269982a_100000207549_100102629194 [0,1,0,0,0,0|3,0,0]=4 2214 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,1,0,0,0,0|2,0,1]=4 2215 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,1,0,0,0,0|2,0,1]=4 2216 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [0,1,0,0,0,0|3,0,0]=4 2217 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [0,1,0,0,0,0|3,0,0]=4 2218 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [0,1,0,0,0,0|3,0,0]=4 2219 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [0,1,0,0,0,0|3,0,0]=4 2220 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [0,1,0,0,0,0|3,0,0]=4 2221 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [0,1,0,0,0,0|3,0,0]=4 2222 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [0,1,0,0,0,0|3,0,0]=4 2223 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [0,1,0,0,0,0|3,0,0]=4 2224 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [0,1,0,0,0,0|3,0,0]=4 2225 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [0,1,0,0,0,0|3,0,0]=4 2226 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,1,0,0,0,0|3,0,0]=4 2227 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,1,0,0,0,0|3,0,0]=4 2228 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,1,0,0,0,0|3,0,0]=4 2229 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [0,1,0,0,0,0|3,0,0]=4 2230 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [0,1,0,0,0,0|3,0,0]=4 2231 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [0,1,0,0,0,0|3,0,0]=4 2232 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [0,1,0,0,0,0|3,0,0]=4 2233 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,1,0,0,0,0|2,0,1]=4 2234 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,1,0,0,0,0|2,0,1]=4 2235 B9R0.18 CC=CCN(C)CCCC 2230a_100000207549_100000070051 [0,1,0,0,0,0|3,0,0]=4 2236 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,1,0,0,0,0|1,0,2]=4 2237 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,1,0,0,0,0|1,0,1]=3 2238 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,1,0,0,0,0|1,0,1]=3 2239 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [0,1,0,0,0,0|1,0,1]=3 2240 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [0,1,0,0,0,0|1,0,1]=3 2241 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [0,1,0,0,0,0|2,0,0]=3 2242 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,1,0,0,0,0|2,0,0]=3 2243 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,1,0,0,0,0|2,0,0]=3 2244 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [0,1,0,0,0,0|2,0,0]=3 2245 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [0,1,0,0,0,0|2,0,0]=3 2246 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,1,0,0,0,0|2,0,1]=4 2247 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,1,0,0,0,0|1,0,1]=3 2248 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [0,1,0,0,0,0|1,0,1]=3 2249 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [0,1,0,0,0,0|2,0,1]=4 2250 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [0,1,0,0,0,0|2,0,1]=4 2251 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [0,1,0,0,0,0|2,0,1]=4 2252 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [0,1,0,0,0,0|2,0,1]=4 2253 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [0,1,0,0,0,0|3,0,0]=4 2254 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [0,1,0,0,0,0|3,0,0]=4 2255 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,1,0,0,0,0|2,0,1]=4 2256 B9R0.18 CSCC[C@H](N)COCF 34a_100011827619_100015361967 [0,1,0,0,0,0|2,0,1]=4 2257 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [0,1,0,0,0,0|2,0,1]=4 2258 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [0,1,0,0,0,0|2,0,1]=4 2259 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [0,1,0,0,0,0|2,0,1]=4 2260 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [0,1,0,0,0,0|2,0,1]=4 2261 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [0,1,0,0,0,0|2,0,1]=4 2262 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [0,1,0,0,0,0|2,0,1]=4 2263 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [0,1,0,0,0,0|2,0,1]=4 2264 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [0,1,0,0,0,0|2,0,1]=4 2265 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [0,1,0,0,0,0|2,0,1]=4 2266 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [0,1,0,0,0,0|2,0,1]=4 2267 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [0,1,0,0,0,0|2,0,1]=4 2268 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [0,1,0,0,0,0|2,0,1]=4 2269 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [0,1,0,0,0,0|2,0,1]=4 2270 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [0,1,0,0,0,0|1,0,2]=4 2271 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [0,1,0,0,0,0|1,0,2]=4 2272 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [0,1,0,0,0,0|1,0,2]=4 2273 B9R0.45 C#CCCCCCOCF 34a_100000766912_100015361967 [0,1,0,0,0,0|1,0,2]=4 2274 B9R0.45 C#CCCCCCOCF 7a_100000766912_100015361967 [0,1,0,0,0,0|1,0,2]=4 2275 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [0,1,0,0,0,0|2,0,1]=4 2276 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [0,1,0,0,0,0|2,0,1]=4 2277 B9R0.45 C#CCCCCNCC=O 2230a_100000706060_200015260668 [0,1,0,0,0,0|1,0,2]=4 2278 B9R0.45 C#CCCCCNCC=O 34a_100000706060_200009817547 [0,1,0,0,0,0|1,0,2]=4 2279 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [0,1,0,0,0,0|2,0,1]=4 2280 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [0,1,0,0,0,0|2,0,1]=4 2281 B9R0.45 C#CCCCCOCC=C 34a_100000766709_100015514636 [0,1,0,0,0,0|1,0,2]=4 2282 B9R0.45 C#CCCCCOCC=C 34a_200000210373_100010269958 [0,1,0,0,0,0|1,0,2]=4 2283 B9R0.45 C#CCCCCOCC=C 7a_100000766709_100015514636 [0,1,0,0,0,0|1,0,2]=4 2284 B9R0.45 C#CCCCCOCC=O 34a_100000766709_200009817547 [0,1,0,0,0,0|0,0,2]=3 2285 B9R0.45 C#CCCCCOCC=O 7a_100000766709_200015260668 [0,1,0,0,0,0|0,0,2]=3 2286 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,1,0,0,0,0|2,0,1]=4 2287 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,1,0,0,0,0|2,0,1]=4 2288 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,1,0,0,0,0|2,0,1]=4 2289 B9R0.45 C#CCCCCSCC=O 62a_100010269958_200015260668 [0,1,0,0,0,0|0,1,2]=4 2290 B9R0.45 C#CCCCCSCC=O 62a_200015260668_100010269958 [0,1,0,0,0,0|0,1,2]=4 2291 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [0,1,0,0,0,0|2,0,1]=4 2292 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [0,1,0,0,0,0|2,0,1]=4 2293 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [0,1,0,0,0,0|2,0,1]=4 2294 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [0,1,0,0,0,0|2,0,1]=4 2295 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [0,1,0,0,0,0|2,0,1]=4 2296 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [0,1,0,0,0,0|2,0,1]=4 2297 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [0,1,0,0,0,0|2,0,1]=4 2298 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [0,1,0,0,0,0|2,0,1]=4 2299 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [0,1,0,0,0,0|2,0,1]=4 2300 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [0,1,0,0,0,0|2,0,1]=4 2301 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [0,1,0,0,0,0|2,0,1]=4 2302 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [0,1,0,0,0,0|2,0,1]=4 2303 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [0,1,0,0,0,0|2,0,1]=4 2304 B9R0.45 C#CCCNCCOC=C 34a_100000755551_100000039644 [0,1,0,0,0,0|1,0,2]=4 2305 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [0,1,0,0,0,0|2,0,1]=4 2306 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [0,1,0,0,0,0|2,0,1]=4 2307 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [0,1,0,0,0,0|2,0,1]=4 2308 B9R0.45 C#CCCOCCOC=C 34a_100000033082_100000688953 [0,1,0,0,0,0|1,0,2]=4 2309 B9R0.45 C#CCCOCCOC=C 34a_100011215631_100000039644 [0,1,0,0,0,0|1,0,2]=4 2310 B9R0.45 C#CCCSCCCC=O 62a_100000688953_200011292268 [0,1,0,0,0,0|1,0,2]=4 2311 B9R0.45 C#CCCSCCCC=O 62a_200011292268_100000688953 [0,1,0,0,0,0|1,0,2]=4 2312 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [0,1,0,0,0,0|2,0,1]=4 2313 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [0,1,0,0,0,0|2,0,1]=4 2314 B9R0.45 C#CCCSCCOC=C 62a_100000039644_100000688953 [0,1,0,0,0,0|1,0,2]=4 2315 B9R0.45 C#CCCSCCOC=C 62a_100000688953_100000039644 [0,1,0,0,0,0|1,0,2]=4 2316 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [0,1,0,0,0,0|2,0,1]=4 2317 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [0,1,0,0,0,0|2,0,1]=4 2318 B9R0.45 C#CCNCCCOC=C 2230a_100000210767_100000038162 [0,1,0,0,0,0|1,0,2]=4 2319 B9R0.45 C#CCNCCCOC=C 34a_100000210767_100000184674 [0,1,0,0,0,0|1,0,2]=4 2320 B9R0.45 C#CCOCCCCCBr 34a_100000746331_100000184674 [0,1,0,0,0,0|2,0,1]=4 2321 B9R0.45 C#CCOCCCCCBr 7a_100000746331_100000038162 [0,1,0,0,0,0|2,0,1]=4 2322 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,1,0,0,0,0|1,0,1]=3 2323 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,1,0,0,0,0|1,0,1]=3 2324 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,1,0,0,0,0|1,0,1]=3 2325 B9R0.45 C#CCOCCCCCCl 34a_100000746330_100000184674 [0,1,0,0,0,0|2,0,1]=4 2326 B9R0.45 C#CCOCCCCCCl 7a_100000746330_100000038162 [0,1,0,0,0,0|2,0,1]=4 2327 B9R0.45 C#CCOCCCCCF 34a_100000210247_100000729378 [0,1,0,0,0,0|2,0,1]=4 2328 B9R0.45 C#CCOCCCCCI 34a_200012148887_100000184674 [0,1,0,0,0,0|2,0,1]=4 2329 B9R0.45 C#CCOCCCCCI 7a_200012148887_100000038162 [0,1,0,0,0,0|2,0,1]=4 2330 B9R0.45 C#CCOCCCCCN 34a_100000762737_100000184674 [0,1,0,0,0,0|2,0,1]=4 2331 B9R0.45 C#CCOCCCCCO 34a_100000210247_100000746330 [0,1,0,0,0,0|2,0,1]=4 2332 B9R0.45 C#CCOCCCCOC 34a_100000210247_100000755781 [0,1,0,0,0,0|2,0,1]=4 2333 B9R0.45 C#CCOCCCCOC 34a_100000740925_100000184674 [0,1,0,0,0,0|2,0,1]=4 2334 B9R0.45 C#CCOCCCCSC 34a_100011217163_100000184674 [0,1,0,0,0,0|2,0,1]=4 2335 B9R0.45 C#CCOCCCCSC 7a_100011217163_100000038162 [0,1,0,0,0,0|2,0,1]=4 2336 B9R0.45 C#CCOCCCOCC 34a_100000210247_100012232248 [0,1,0,0,0,0|2,0,1]=4 2337 B9R0.45 C#CCOCCCOCC 34a_100000757476_100000184674 [0,1,0,0,0,0|2,0,1]=4 2338 B9R0.45 C#CCOCCCOCC 7a_100000757476_100000038162 [0,1,0,0,0,0|2,0,1]=4 2339 B9R0.45 C#CCOCCCSCC 34a_100011216438_100000184674 [0,1,0,0,0,0|2,0,1]=4 2340 B9R0.45 C#CCOCCCSCC 7a_100011216438_100000038162 [0,1,0,0,0,0|2,0,1]=4 2341 B9R0.45 C#CCOCCNCCC 2230a_100000700922_100000210303 [0,1,0,0,0,0|2,0,1]=4 2342 B9R0.45 C#CCOCCNCCC 34a_100000700922_100000210303 [0,1,0,0,0,0|2,0,1]=4 2343 B9R0.45 C#CCOCCOCC=O 34a_100000054580_200009817547 [0,1,0,0,0,0|1,0,2]=4 2344 B9R0.45 C#CCOCCOCC=O 7a_100000054580_200015260668 [0,1,0,0,0,0|1,0,2]=4 2345 B9R0.45 C#CCOCCOCCC 34a_100000054580_100000210303 [0,1,0,0,0,0|2,0,1]=4 2346 B9R0.45 C#CCOCCOCCC 34a_100000210247_100011215938 [0,1,0,0,0,0|2,0,1]=4 2347 B9R0.45 C#CCOCCOCCC 34a_100000210258_100010402529 [0,1,0,0,0,0|2,0,1]=4 2348 B9R0.45 C#CCOCCOCCC 34a_100000752267_100000184674 [0,1,0,0,0,0|2,0,1]=4 2349 B9R0.45 C#CCOCCOCCC 7a_100000054580_100000210303 [0,1,0,0,0,0|2,0,1]=4 2350 B9R0.45 C#CCOCCOCCC 7a_100000752267_100000038162 [0,1,0,0,0,0|2,0,1]=4 2351 B9R0.45 C#CCOCCSCCC 34a_200000230433_100000184674 [0,1,0,0,0,0|2,0,1]=4 2352 B9R0.45 C#CCOCCSCCC 62a_100000210303_100010402529 [0,1,0,0,0,0|2,0,1]=4 2353 B9R0.45 C#CCOCCSCCC 62a_100010402529_100000210303 [0,1,0,0,0,0|2,0,1]=4 2354 B9R0.45 C#CCOCCSCCC 7a_200000230433_100000038162 [0,1,0,0,0,0|2,0,1]=4 2355 B9R0.45 C#CCOCOCCCC 34a_100000210247_100011995733 [0,1,0,0,0,0|2,0,1]=4 2356 B9R0.45 C#CCSCCCCC=O 62a_100000038162_100000139335 [0,1,0,0,0,0|1,0,2]=4 2357 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [0,1,0,0,0,0|1,1,1]=4 2358 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,1,0,0,0,0|2,0,0]=3 2359 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [0,1,0,0,0,0|3,0,0]=4 2360 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,1,0,0,0,0|3,0,0]=4 2361 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [0,1,0,0,0,0|3,0,0]=4 2362 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [0,1,0,0,0,0|3,0,0]=4 2363 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [0,1,0,0,0,0|3,0,0]=4 2364 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [0,1,0,0,0,0|3,0,0]=4 2365 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [0,1,0,0,0,0|3,0,0]=4 2366 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [0,1,0,0,0,0|3,0,0]=4 2367 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,1,0,0,0,0|2,0,0]=3 2368 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,1,0,0,0,0|2,0,0]=3 2369 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,1,0,0,0,0|2,0,0]=3 2370 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [0,1,0,0,0,0|3,0,0]=4 2371 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [0,1,0,0,0,0|3,0,0]=4 2372 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [0,1,0,0,0,0|3,0,0]=4 2373 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [0,1,0,0,0,0|3,0,0]=4 2374 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [0,1,0,0,0,0|3,0,0]=4 2375 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [0,1,0,0,0,0|3,0,0]=4 2376 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [0,1,0,0,0,0|3,0,0]=4 2377 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,1,0,0,0,0|3,0,0]=4 2378 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [0,1,0,0,0,0|3,0,0]=4 2379 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [0,1,0,0,0,0|3,0,0]=4 2380 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [0,1,0,0,0,0|3,0,0]=4 2381 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [0,1,0,0,0,0|3,0,0]=4 2382 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [0,1,0,0,0,0|3,0,0]=4 2383 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [0,1,0,0,0,0|3,0,0]=4 2384 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [0,1,0,0,0,0|3,0,0]=4 2385 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [0,1,0,0,0,0|3,0,0]=4 2386 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [0,1,0,0,0,0|3,0,0]=4 2387 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [0,1,0,0,0,0|3,0,0]=4 2388 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [0,1,0,0,0,0|3,0,0]=4 2389 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [0,1,0,0,0,0|1,0,2]=4 2390 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [0,1,0,0,0,0|1,0,2]=4 2391 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,1,0,0,0,0|2,0,0]=3 2392 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,1,0,0,0,0|2,0,0]=3 2393 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [0,1,0,0,0,0|3,0,0]=4 2394 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [0,1,0,0,0,0|3,0,0]=4 2395 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,1,0,0,0,0|3,0,0]=4 2396 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,1,0,0,0,0|3,0,0]=4 2397 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [0,1,0,0,0,0|3,0,0]=4 2398 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [0,1,0,0,0,0|3,0,0]=4 2399 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [0,1,0,0,0,0|3,0,0]=4 2400 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [0,1,0,0,0,0|3,0,0]=4 2401 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [0,1,0,0,0,0|3,0,0]=4 2402 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [0,1,0,0,0,0|3,0,0]=4 2403 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,1,0,0,0,0|2,0,0]=3 2404 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,1,0,0,0,0|2,0,0]=3 2405 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,1,0,0,0,0|2,0,0]=3 2406 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,1,0,0,0,0|2,0,0]=3 2407 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,1,0,0,0,0|2,0,0]=3 2408 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,1,0,0,0,0|2,0,0]=3 2409 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,1,0,0,0,0|2,0,0]=3 2410 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,1,0,0,0,0|2,0,0]=3 2411 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,1,0,0,0,0|2,0,0]=3 2412 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,1,0,0,0,0|2,0,0]=3 2413 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,1,0,0,0,0|2,0,0]=3 2414 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,1,0,0,0,0|2,0,0]=3 2415 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,1,0,0,0,0|2,0,0]=3 2416 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,1,0,0,0,0|2,0,0]=3 2417 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,1,0,0,0,0|2,0,0]=3 2418 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,1,0,0,0,0|2,0,0]=3 2419 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [0,1,0,0,0,0|1,0,2]=4 2420 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [0,1,0,0,0,0|1,0,2]=4 2421 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,1,0,0,0,0|2,0,0]=3 2422 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,1,0,0,0,0|2,0,0]=3 2423 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [0,1,0,0,0,0|3,0,0]=4 2424 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [0,1,0,0,0,0|3,0,0]=4 2425 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [0,1,0,0,0,0|1,0,2]=4 2426 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [0,1,0,0,0,0|1,0,2]=4 2427 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,1,0,0,0,0|2,0,0]=3 2428 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,1,0,0,0,0|2,0,0]=3 2429 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [0,1,0,0,0,0|3,0,0]=4 2430 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [0,1,0,0,0,0|3,0,0]=4 2431 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [0,1,0,0,0,0|3,0,0]=4 2432 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,1,0,0,0,0|3,0,0]=4 2433 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,1,0,0,0,0|3,0,0]=4 2434 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,1,0,0,0,0|3,0,0]=4 2435 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,1,0,0,0,0|3,0,0]=4 2436 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [0,1,0,0,0,0|3,0,0]=4 2437 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [0,1,0,0,0,0|3,0,0]=4 2438 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [0,1,0,0,0,0|3,0,0]=4 2439 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [0,1,0,0,0,0|1,0,2]=4 2440 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [0,1,0,0,0,0|1,0,2]=4 2441 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [0,1,0,0,0,0|1,0,2]=4 2442 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [0,1,0,0,0,0|0,0,2]=3 2443 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [0,1,0,0,0,0|0,0,2]=3 2444 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [0,1,0,0,0,0|3,0,0]=4 2445 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,1,0,0,0,0|2,0,0]=3 2446 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,1,0,0,0,0|2,0,0]=3 2447 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,1,0,0,0,0|2,0,0]=3 2448 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [0,1,0,0,0,0|3,0,0]=4 2449 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [0,1,0,0,0,0|3,0,0]=4 2450 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [0,1,0,0,0,0|3,0,0]=4 2451 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,1,0,0,0,0|3,0,0]=4 2452 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,1,0,0,0,0|3,0,0]=4 2453 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [0,1,0,0,0,0|3,0,0]=4 2454 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [0,1,0,0,0,0|0,1,2]=4 2455 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [0,1,0,0,0,0|0,1,2]=4 2456 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,1,0,0,0,0|2,0,0]=3 2457 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,1,0,0,0,0|2,0,0]=3 2458 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [0,1,0,0,0,0|3,0,0]=4 2459 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [0,1,0,0,0,0|3,0,0]=4 2460 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,1,0,0,0,0|3,0,0]=4 2461 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,1,0,0,0,0|3,0,0]=4 2462 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [0,1,0,0,0,0|3,0,0]=4 2463 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [0,1,0,0,0,0|3,0,0]=4 2464 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [0,1,0,0,0,0|3,0,0]=4 2465 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [0,1,0,0,0,0|3,0,0]=4 2466 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,1,0,0,0,0|2,0,0]=3 2467 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,1,0,0,0,0|2,0,0]=3 2468 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,1,0,0,0,0|2,0,0]=3 2469 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,1,0,0,0,0|2,0,0]=3 2470 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [0,1,0,0,0,0|3,0,0]=4 2471 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [0,1,0,0,0,0|3,0,0]=4 2472 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [0,1,0,0,0,0|3,0,0]=4 2473 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [0,1,0,0,0,0|3,0,0]=4 2474 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [0,1,0,0,0,0|3,0,0]=4 2475 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [0,1,0,0,0,0|3,0,0]=4 2476 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [0,1,0,0,0,0|3,0,0]=4 2477 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [0,1,0,0,0,0|3,0,0]=4 2478 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [0,1,0,0,0,0|3,0,0]=4 2479 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [0,1,0,0,0,0|3,0,0]=4 2480 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [0,1,0,0,0,0|3,0,0]=4 2481 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [0,1,0,0,0,0|3,0,0]=4 2482 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [0,1,0,0,0,0|3,0,0]=4 2483 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,1,0,0,0,0|2,0,0]=3 2484 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,1,0,0,0,0|2,0,0]=3 2485 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,1,0,0,0,0|2,0,0]=3 2486 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,1,0,0,0,0|2,0,0]=3 2487 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [0,1,0,0,0,0|3,0,0]=4 2488 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [0,1,0,0,0,0|3,0,0]=4 2489 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [0,1,0,0,0,0|3,0,0]=4 2490 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [0,1,0,0,0,0|3,0,0]=4 2491 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [0,1,0,0,0,0|3,0,0]=4 2492 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [0,1,0,0,0,0|3,0,0]=4 2493 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [0,1,0,0,0,0|3,0,0]=4 2494 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [0,1,0,0,0,0|3,0,0]=4 2495 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [0,1,0,0,0,0|3,0,0]=4 2496 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [0,1,0,0,0,0|3,0,0]=4 2497 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [0,1,0,0,0,0|3,0,0]=4 2498 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [0,1,0,0,0,0|3,0,0]=4 2499 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [0,1,0,0,0,0|3,0,0]=4 2500 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [0,1,0,0,0,0|3,0,0]=4 2501 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,1,0,0,0,0|2,0,0]=3 2502 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,1,0,0,0,0|2,0,0]=3 2503 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [0,1,0,0,0,0|3,0,0]=4 2504 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [0,1,0,0,0,0|3,0,0]=4 2505 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,1,0,0,0,0|3,0,0]=4 2506 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,1,0,0,0,0|3,0,0]=4 2507 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,1,0,0,0,0|3,0,0]=4 2508 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,1,0,0,0,0|3,0,0]=4 2509 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [0,1,0,0,0,0|3,0,0]=4 2510 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [0,1,0,0,0,0|3,0,0]=4 2511 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [0,1,0,0,0,0|3,0,0]=4 2512 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [0,1,0,0,0,0|3,0,0]=4 2513 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [0,1,0,0,0,0|1,0,2]=4 2514 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,1,0,0,0,0|2,0,0]=3 2515 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,1,0,0,0,0|2,0,0]=3 2516 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [0,1,0,0,0,0|3,0,0]=4 2517 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [0,1,0,0,0,0|3,0,0]=4 2518 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [0,1,0,0,0,0|3,0,0]=4 2519 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [0,1,0,0,0,0|3,0,0]=4 2520 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [0,1,0,0,0,0|3,0,0]=4 2521 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [0,1,0,0,0,0|3,0,0]=4 2522 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [0,1,0,0,0,0|3,0,0]=4 2523 B9R0.45 C=CCCNCCOC=C 2230a_100015191253_100000039644 [0,1,0,0,0,0|1,0,2]=4 2524 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [0,1,0,0,0,0|3,0,0]=4 2525 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [0,1,0,0,0,0|3,0,0]=4 2526 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [0,1,0,0,0,0|3,0,0]=4 2527 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [0,1,0,0,0,0|3,0,0]=4 2528 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [0,1,0,0,0,0|3,0,0]=4 2529 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [0,1,0,0,0,0|3,0,0]=4 2530 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,1,0,0,0,0|2,0,0]=3 2531 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,1,0,0,0,0|2,0,0]=3 2532 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,1,0,0,0,0|2,0,0]=3 2533 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [0,1,0,0,0,0|3,0,0]=4 2534 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [0,1,0,0,0,0|3,0,0]=4 2535 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [0,1,0,0,0,0|3,0,0]=4 2536 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [0,1,0,0,0,0|3,0,0]=4 2537 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [0,1,0,0,0,0|3,0,0]=4 2538 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [0,1,0,0,0,0|3,0,0]=4 2539 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [0,1,0,0,0,0|3,0,0]=4 2540 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [0,1,0,0,0,0|3,0,0]=4 2541 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [0,1,0,0,0,0|3,0,0]=4 2542 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [0,1,0,0,0,0|3,0,0]=4 2543 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [0,1,0,0,0,0|3,0,0]=4 2544 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [0,1,0,0,0,0|3,0,0]=4 2545 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [0,1,0,0,0,0|3,0,0]=4 2546 B9R0.45 C=CCCOCCOC=C 34a_100000033082_100000754431 [0,1,0,0,0,0|1,0,2]=4 2547 B9R0.45 C=CCCOCCOC=C 34a_100011205117_100000039644 [0,1,0,0,0,0|1,0,2]=4 2548 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,1,0,0,0,0|3,0,0]=4 2549 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,1,0,0,0,0|3,0,0]=4 2550 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,1,0,0,0,0|3,0,0]=4 2551 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [0,1,0,0,0,0|3,0,0]=4 2552 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [0,1,0,0,0,0|3,0,0]=4 2553 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [0,1,0,0,0,0|3,0,0]=4 2554 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [0,1,0,0,0,0|1,0,2]=4 2555 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [0,1,0,0,0,0|1,0,2]=4 2556 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,1,0,0,0,0|2,0,0]=3 2557 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,1,0,0,0,0|2,0,0]=3 2558 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [0,1,0,0,0,0|3,0,0]=4 2559 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [0,1,0,0,0,0|3,0,0]=4 2560 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,1,0,0,0,0|3,0,0]=4 2561 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,1,0,0,0,0|3,0,0]=4 2562 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,1,0,0,0,0|3,0,0]=4 2563 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,1,0,0,0,0|3,0,0]=4 2564 B9R0.45 C=CCCSCCOC=C 62a_100000039644_100000754431 [0,1,0,0,0,0|1,0,2]=4 2565 B9R0.45 C=CCCSCCOC=C 62a_100000754431_100000039644 [0,1,0,0,0,0|1,0,2]=4 2566 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,1,0,0,0,0|3,0,0]=4 2567 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,1,0,0,0,0|3,0,0]=4 2568 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [0,1,0,0,0,0|3,0,0]=4 2569 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [0,1,0,0,0,0|3,0,0]=4 2570 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [0,1,0,0,0,0|1,0,2]=4 2571 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,1,0,0,0,0|2,0,0]=3 2572 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,1,0,0,0,0|2,0,0]=3 2573 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [0,1,0,0,0,0|3,0,0]=4 2574 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [0,1,0,0,0,0|3,0,0]=4 2575 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [0,1,0,0,0,0|3,0,0]=4 2576 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [0,1,0,0,0,0|3,0,0]=4 2577 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [0,1,0,0,0,0|3,0,0]=4 2578 B9R0.45 C=CCNCCCOC=C 2230a_100000210767_100000210623 [0,1,0,0,0,0|1,0,2]=4 2579 B9R0.45 C=CCNCCCOC=C 34a_100000210767_100015514636 [0,1,0,0,0,0|1,0,2]=4 2580 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [0,1,0,0,0,0|3,0,0]=4 2581 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [0,1,0,0,0,0|3,0,0]=4 2582 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [0,1,0,0,0,0|3,0,0]=4 2583 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [0,1,0,0,0,0|3,0,0]=4 2584 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [0,1,0,0,0,0|3,0,0]=4 2585 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [0,1,0,0,0,0|3,0,0]=4 2586 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [0,1,0,0,0,0|3,0,0]=4 2587 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [0,1,0,0,0,0|3,0,0]=4 2588 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [0,1,0,0,0,0|1,0,2]=4 2589 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [0,1,0,0,0,0|1,0,2]=4 2590 B9R0.45 C=CCOCC#CCCC 34a_100000034806_100015514636 [0,1,0,0,0,0|1,0,2]=4 2591 B9R0.45 C=CCOCC#CCCC 7a_100000034806_100015514636 [0,1,0,0,0,0|1,0,2]=4 2592 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [0,1,0,0,0,0|1,0,2]=4 2593 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [0,1,0,0,0,0|1,0,2]=4 2594 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [0,1,0,0,0,0|1,0,2]=4 2595 B9R0.45 C=CCOCCC#CCC 34a_100000036655_100015514636 [0,1,0,0,0,0|1,0,2]=4 2596 B9R0.45 C=CCOCCC#CCC 7a_100000036655_100015514636 [0,1,0,0,0,0|1,0,2]=4 2597 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [0,1,0,0,0,0|1,0,2]=4 2598 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,1,0,0,0,0|2,0,0]=3 2599 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,1,0,0,0,0|2,0,0]=3 2600 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,1,0,0,0,0|1,0,0]=2 2601 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,1,0,0,0,0|1,0,0]=2 2602 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,1,0,0,0,0|1,0,0]=2 2603 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,1,0,0,0,0|2,0,0]=3 2604 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,1,0,0,0,0|2,0,0]=3 2605 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,1,0,0,0,0|2,0,0]=3 2606 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,1,0,0,0,0|2,0,0]=3 2607 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,1,0,0,0,0|2,0,0]=3 2608 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,1,0,0,0,0|2,0,0]=3 2609 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,1,0,0,0,0|2,0,0]=3 2610 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,1,0,0,0,0|2,0,0]=3 2611 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,1,0,0,0,0|2,0,0]=3 2612 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,1,0,0,0,0|2,0,0]=3 2613 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,1,0,0,0,0|2,0,0]=3 2614 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,1,0,0,0,0|2,0,0]=3 2615 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,1,0,0,0,0|2,0,0]=3 2616 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,1,0,0,0,0|2,0,0]=3 2617 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,1,0,0,0,0|2,0,0]=3 2618 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,1,0,0,0,0|2,0,0]=3 2619 B9R0.45 C=CCOCCOCC=O 34a_100000037705_200009817547 [0,1,0,0,0,0|1,0,2]=4 2620 B9R0.45 C=CCOCCOCC=O 7a_100000037705_200015260668 [0,1,0,0,0,0|1,0,2]=4 2621 B9R0.45 C=CCOCCOCCBr 34a_100000692535_100015514636 [0,1,0,0,0,0|3,0,0]=4 2622 B9R0.45 C=CCOCCOCCBr 7a_100000692535_100015514636 [0,1,0,0,0,0|3,0,0]=4 2623 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,1,0,0,0,0|2,0,0]=3 2624 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,1,0,0,0,0|2,0,0]=3 2625 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,1,0,0,0,0|2,0,0]=3 2626 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,1,0,0,0,0|2,0,0]=3 2627 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,1,0,0,0,0|2,0,0]=3 2628 B9R0.45 C=CCOCCOCCCl 34a_100011215305_100015514636 [0,1,0,0,0,0|3,0,0]=4 2629 B9R0.45 C=CCOCCOCCCl 7a_100011215305_100015514636 [0,1,0,0,0,0|3,0,0]=4 2630 B9R0.45 C=CCOCCOCCF 34a_100000037705_100011217306 [0,1,0,0,0,0|3,0,0]=4 2631 B9R0.45 C=CCOCCOCCF 34a_200015357709_100015514636 [0,1,0,0,0,0|3,0,0]=4 2632 B9R0.45 C=CCOCCOCCF 7a_100000037705_100011217306 [0,1,0,0,0,0|3,0,0]=4 2633 B9R0.45 C=CCOCCOCCF 7a_200015357709_100015514636 [0,1,0,0,0,0|3,0,0]=4 2634 B9R0.45 C=CCOCCOCCI 34a_100012149058_100015514636 [0,1,0,0,0,0|3,0,0]=4 2635 B9R0.45 C=CCOCCOCCI 7a_100012149058_100015514636 [0,1,0,0,0,0|3,0,0]=4 2636 B9R0.45 C=CCOCCOCCN 34a_100000211614_100015514636 [0,1,0,0,0,0|3,0,0]=4 2637 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [0,1,0,0,0,0|3,0,0]=4 2638 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [0,1,0,0,0,0|3,0,0]=4 2639 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [0,1,0,0,0,0|3,0,0]=4 2640 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [0,1,0,0,0,0|3,0,0]=4 2641 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,1,0,0,0,0|2,0,0]=3 2642 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,1,0,0,0,0|2,0,0]=3 2643 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,1,0,0,0,0|2,0,0]=3 2644 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [0,1,0,0,0,0|1,0,2]=4 2645 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [0,1,0,0,0,0|1,0,2]=4 2646 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,1,0,0,0,0|1,1,0]=3 2647 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,1,0,0,0,0|1,1,0]=3 2648 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [0,1,0,0,0,0|2,1,0]=4 2649 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [0,1,0,0,0,0|2,1,0]=4 2650 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [0,1,0,0,0,0|2,1,0]=4 2651 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [0,1,0,0,0,0|2,1,0]=4 2652 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [0,1,0,0,0,0|2,1,0]=4 2653 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [0,1,0,0,0,0|2,1,0]=4 2654 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [0,1,0,0,0,0|2,1,0]=4 2655 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [0,1,0,0,0,0|2,1,0]=4 2656 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [0,1,0,0,0,0|2,1,0]=4 2657 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [0,1,0,0,0,0|2,1,0]=4 2658 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [0,1,0,0,0,0|2,1,0]=4 2659 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [0,1,0,0,0,0|2,1,0]=4 2660 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,1,0,0,0,0|1,0,0]=2 2661 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,1,0,0,0,0|1,0,0]=2 2662 B9R0.45 C=COCCCCOCF 34a_100000031558_100015361967 [0,1,0,0,0,0|2,0,0]=3 2663 B9R0.45 C=COCCCCOCF 7a_100000031558_100015361967 [0,1,0,0,0,0|2,0,0]=3 2664 B9R0.45 C=COCCCNCC#N 2230a_100000210767_100011215382 [0,1,0,0,0,0|2,0,1]=4 2665 B9R0.45 C=COCCCNCC=O 2230a_100000210767_200015260668 [0,1,0,0,0,0|2,0,1]=4 2666 B9R0.45 C=COCCCNCC=O 34a_100000210767_200009817547 [0,1,0,0,0,0|2,0,1]=4 2667 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,1,0,0,0,0|1,0,0]=2 2668 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,1,0,0,0,0|1,0,0]=2 2669 B9R0.45 C=COCCCNCCF 2230a_100000210767_100011217306 [0,1,0,0,0,0|2,0,0]=3 2670 B9R0.45 C=COCCCNCCF 34a_100000210767_100011217306 [0,1,0,0,0,0|2,0,0]=3 2671 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [0,1,0,0,0,0|2,0,0]=3 2672 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [0,1,0,0,0,0|2,0,0]=3 2673 B9R0.45 C=COCCCNCOC 2230a_100000210767_100000766300 [0,1,0,0,0,0|2,0,0]=3 2674 B9R0.45 C=COCCCNCSC 2230a_100000210767_100011218213 [0,1,0,0,0,0|2,0,0]=3 2675 B9R0.45 C=COCCCNCSC 34a_100000210767_100011218213 [0,1,0,0,0,0|2,0,0]=3 2676 B9R0.45 C=COCCNCC#CC 2230a_100000685387_100000039644 [0,1,0,0,0,0|1,0,2]=4 2677 B9R0.45 C=COCCNCC#CC 34a_100000685387_100000039644 [0,1,0,0,0,0|1,0,2]=4 2678 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,1,0,0,0,0|1,0,0]=2 2679 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,1,0,0,0,0|1,0,0]=2 2680 B9R0.45 C=COCCNCCCF 2230a_100015189416_100000039644 [0,1,0,0,0,0|2,0,0]=3 2681 B9R0.45 C=COCCNCCCF 34a_100015189416_100000039644 [0,1,0,0,0,0|2,0,0]=3 2682 B9R0.45 C=COCCNCCOC 2230a_100000209980_100000039644 [0,1,0,0,0,0|2,0,0]=3 2683 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [0,1,0,0,0,0|2,0,0]=3 2684 B9R0.45 C=COCCOC/C=C/C 34a_100000033082_100102629194 [0,1,0,0,0,0|1,0,2]=4 2685 B9R0.45 C=COCCOC/C=C/C 34a_100016270725_100000039644 [0,1,0,0,0,0|1,0,2]=4 2686 B9R0.45 C=COCCOCC#CC 34a_100000033082_100000748600 [0,1,0,0,0,0|1,0,2]=4 2687 B9R0.45 C=COCCOCC#CC 34a_100000761923_100000039644 [0,1,0,0,0,0|1,0,2]=4 2688 B9R0.45 C=COCCOCC=CC 34a_100000033082_100000070051 [0,1,0,0,0,0|1,0,2]=4 2689 B9R0.45 C=COCCOCCCBr 34a_100011217188_100000039644 [0,1,0,0,0,0|2,0,0]=3 2690 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,1,0,0,0,0|1,0,0]=2 2691 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,1,0,0,0,0|1,0,0]=2 2692 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,1,0,0,0,0|1,0,0]=2 2693 B9R0.45 C=COCCOCCCCl 34a_100000230001_100000039644 [0,1,0,0,0,0|2,0,0]=3 2694 B9R0.45 C=COCCOCCCF 34a_100000033082_100011934791 [0,1,0,0,0,0|2,0,0]=3 2695 B9R0.45 C=COCCOCCCF 34a_100000759539_100000039644 [0,1,0,0,0,0|2,0,0]=3 2696 B9R0.45 C=COCCOCCCN 34a_100000182051_100000039644 [0,1,0,0,0,0|2,0,0]=3 2697 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,1,0,0,0,0|2,0,0]=3 2698 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [0,1,0,0,0,0|2,0,0]=3 2699 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [0,1,0,0,0,0|2,0,0]=3 2700 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [0,1,0,0,0,0|2,0,0]=3 2701 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [0,1,0,0,0,0|2,0,0]=3 2702 B9R0.45 C=COCCOCCON 34a_100000700252_100000039644 [0,1,0,0,0,0|3,0,0]=4 2703 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [0,1,0,0,0,0|2,0,0]=3 2704 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [0,1,0,0,0,0|2,0,0]=3 2705 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [0,1,0,0,0,0|2,0,0]=3 2706 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [0,1,0,0,0,0|2,0,0]=3 2707 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [0,1,0,0,0,0|2,0,0]=3 2708 B9R0.45 C=COCCSC/C=C/C 62a_100000039644_100102629194 [0,1,0,0,0,0|1,0,2]=4 2709 B9R0.45 C=COCCSC/C=C/C 62a_100102629194_100000039644 [0,1,0,0,0,0|1,0,2]=4 2710 B9R0.45 C=COCCSCC#CC 62a_100000039644_100000748600 [0,1,0,0,0,0|1,0,2]=4 2711 B9R0.45 C=COCCSCC#CC 62a_100000748600_100000039644 [0,1,0,0,0,0|1,0,2]=4 2712 B9R0.45 C=COCCSCC=CC 62a_100000039644_100000070051 [0,1,0,0,0,0|1,0,2]=4 2713 B9R0.45 C=COCCSCC=CC 62a_100000070051_100000039644 [0,1,0,0,0,0|1,0,2]=4 2714 B9R0.45 C=COCCSCCC#N 62a_100000039644_100011215226 [0,1,0,0,0,0|2,0,1]=4 2715 B9R0.45 C=COCCSCCC#N 62a_100011215226_100000039644 [0,1,0,0,0,0|2,0,1]=4 2716 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,1,0,0,0,0|1,0,0]=2 2717 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,1,0,0,0,0|1,0,0]=2 2718 B9R0.45 C=COCCSCCCF 62a_100000039644_100011934791 [0,1,0,0,0,0|2,0,0]=3 2719 B9R0.45 C=COCCSCCCF 62a_100011934791_100000039644 [0,1,0,0,0,0|2,0,0]=3 2720 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [0,1,0,0,0,0|2,0,0]=3 2721 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [0,1,0,0,0,0|2,0,0]=3 2722 B9R0.45 C=COCCSCCOC 62a_100000039644_100000233755 [0,1,0,0,0,0|2,0,0]=3 2723 B9R0.45 C=COCCSCCOC 62a_100000233755_100000039644 [0,1,0,0,0,0|2,0,0]=3 2724 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [0,1,0,0,0,0|2,0,0]=3 2725 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [0,1,0,0,0,0|2,0,0]=3 2726 B9R0.45 C=COCCSCOCC 62a_100000039644_100000739092 [0,1,0,0,0,0|2,0,0]=3 2727 B9R0.45 C=COCCSCOCC 62a_100000739092_100000039644 [0,1,0,0,0,0|2,0,0]=3 2728 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [0,1,0,0,0,0|2,0,1]=4 2729 B9R0.45 CC#CCNCCCC=O 2230a_100000685387_200011292268 [0,1,0,0,0,0|1,0,2]=4 2730 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [0,1,0,0,0,0|2,0,1]=4 2731 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [0,1,0,0,0,0|2,0,1]=4 2732 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [0,1,0,0,0,0|2,0,1]=4 2733 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [0,1,0,0,0,0|2,0,1]=4 2734 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [0,1,0,0,0,0|2,0,1]=4 2735 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [0,1,0,0,0,0|2,0,1]=4 2736 B9R0.45 CC#CCSCCCC=O 62a_100000748600_200011292268 [0,1,0,0,0,0|1,0,2]=4 2737 B9R0.45 CC#CCSCCCC=O 62a_200011292268_100000748600 [0,1,0,0,0,0|1,0,2]=4 2738 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [0,1,0,0,0,0|2,0,1]=4 2739 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [0,1,0,0,0,0|2,0,1]=4 2740 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,1,0,0,0,0|1,0,2]=4 2741 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,1,0,0,0,0|1,0,2]=4 2742 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [0,1,0,0,0,0|1,0,2]=4 2743 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [0,1,0,0,0,0|1,0,2]=4 2744 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,1,0,0,0,0|3,0,0]=4 2745 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,1,0,0,0,0|3,0,0]=4 2746 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,1,0,0,0,0|3,0,0]=4 2747 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,1,0,0,0,0|3,0,0]=4 2748 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [0,1,0,0,0,0|0,0,2]=3 2749 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [0,1,0,0,0,0|0,0,2]=3 2750 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,1,0,0,0,0|3,0,0]=4 2751 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,1,0,0,0,0|3,0,0]=4 2752 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,1,0,0,0,0|3,0,0]=4 2753 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,1,0,0,0,0|0,1,2]=4 2754 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,1,0,0,0,0|0,1,2]=4 2755 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,1,0,0,0,0|3,0,0]=4 2756 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,1,0,0,0,0|3,0,0]=4 2757 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,1,0,0,0,0|3,0,0]=4 2758 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,1,0,0,0,0|3,0,0]=4 2759 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,1,0,0,0,0|3,0,0]=4 2760 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,1,0,0,0,0|3,0,0]=4 2761 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,1,0,0,0,0|3,0,0]=4 2762 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,1,0,0,0,0|3,0,0]=4 2763 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,1,0,0,0,0|3,0,0]=4 2764 B9R0.45 CC=C=CCCOCC=O 34a_100011020354_200009817547 [0,1,0,0,0,0|0,0,3]=4 2765 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [0,1,0,0,0,0|2,0,1]=4 2766 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [0,1,0,0,0,0|0,0,2]=3 2767 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,1,0,0,0,0|2,0,0]=3 2768 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [0,1,0,0,0,0|3,0,0]=4 2769 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,1,0,0,0,0|3,0,0]=4 2770 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [0,1,0,0,0,0|3,0,0]=4 2771 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,1,0,0,0,0|2,0,0]=3 2772 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [0,1,0,0,0,0|3,0,0]=4 2773 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [0,1,0,0,0,0|3,0,0]=4 2774 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [0,1,0,0,0,0|3,0,0]=4 2775 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [0,1,0,0,0,0|3,0,0]=4 2776 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [0,1,0,0,0,0|3,0,0]=4 2777 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [0,1,0,0,0,0|3,0,0]=4 2778 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [0,1,0,0,0,0|3,0,0]=4 2779 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [0,1,0,0,0,0|3,0,0]=4 2780 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,1,0,0,0,0|2,0,0]=3 2781 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,1,0,0,0,0|2,0,0]=3 2782 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [0,1,0,0,0,0|3,0,0]=4 2783 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [0,1,0,0,0,0|3,0,0]=4 2784 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [0,1,0,0,0,0|3,0,0]=4 2785 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [0,1,0,0,0,0|3,0,0]=4 2786 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [0,1,0,0,0,0|3,0,0]=4 2787 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [0,1,0,0,0,0|3,0,0]=4 2788 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [0,1,0,0,0,0|3,0,0]=4 2789 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [0,1,0,0,0,0|3,0,0]=4 2790 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [0,1,0,0,0,0|3,0,0]=4 2791 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [0,1,0,0,0,0|3,0,0]=4 2792 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [0,1,0,0,0,0|3,0,0]=4 2793 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [0,1,0,0,0,0|3,0,0]=4 2794 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [0,1,0,0,0,0|3,0,0]=4 2795 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [0,1,0,0,0,0|3,0,0]=4 2796 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [0,1,0,0,0,0|1,0,2]=4 2797 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [0,1,0,0,0,0|1,0,2]=4 2798 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,1,0,0,0,0|2,0,0]=3 2799 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,1,0,0,0,0|2,0,0]=3 2800 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [0,1,0,0,0,0|3,0,0]=4 2801 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [0,1,0,0,0,0|3,0,0]=4 2802 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,1,0,0,0,0|3,0,0]=4 2803 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,1,0,0,0,0|3,0,0]=4 2804 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [0,1,0,0,0,0|3,0,0]=4 2805 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [0,1,0,0,0,0|3,0,0]=4 2806 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [0,1,0,0,0,0|3,0,0]=4 2807 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [0,1,0,0,0,0|3,0,0]=4 2808 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [0,1,0,0,0,0|3,0,0]=4 2809 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [0,1,0,0,0,0|3,0,0]=4 2810 B9R0.45 CCC#CCCOCC=O 34a_100000036655_200009817547 [0,1,0,0,0,0|0,0,2]=3 2811 B9R0.45 CCC#CCCOCC=O 7a_100000036655_200015260668 [0,1,0,0,0,0|0,0,2]=3 2812 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [0,1,0,0,0,0|0,0,2]=3 2813 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [0,1,0,0,0,0|0,0,2]=3 2814 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,1,0,0,0,0|3,0,0]=4 2815 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [0,1,0,0,0,0|1,0,2]=4 2816 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [0,1,0,0,0,0|1,0,2]=4 2817 B9R0.45 CCCC#CCCOCF 34a_100000042726_100015361967 [0,1,0,0,0,0|1,0,2]=4 2818 B9R0.45 CCCC#CCCOCF 7a_100000042726_100015361967 [0,1,0,0,0,0|1,0,2]=4 2819 B9R0.45 CCCC#CCOCC=O 34a_100000034806_200009817547 [0,1,0,0,0,0|0,0,2]=3 2820 B9R0.45 CCCC#CCOCC=O 7a_100000034806_200015260668 [0,1,0,0,0,0|0,0,2]=3 2821 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [0,1,0,0,0,0|1,0,2]=4 2822 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [0,1,0,0,0,0|1,0,2]=4 2823 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [0,1,0,0,0,0|1,0,2]=4 2824 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [0,1,0,0,0,0|1,0,2]=4 2825 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [0,1,0,0,0,0|1,0,2]=4 2826 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [0,1,0,0,0,0|1,0,2]=4 2827 B9R0.45 CCCCC#CCOCF 34a_200000034558_100015361967 [0,1,0,0,0,0|1,0,2]=4 2828 B9R0.45 CCCCC#CCOCF 7a_200000034558_100015361967 [0,1,0,0,0,0|1,0,2]=4 2829 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,1,0,0,0,0|2,0,1]=4 2830 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,1,0,0,0,0|2,0,1]=4 2831 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,1,0,0,0,0|2,0,1]=4 2832 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,1,0,0,0,0|2,0,1]=4 2833 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,1,0,0,0,0|2,0,1]=4 2834 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,1,0,0,0,0|2,0,1]=4 2835 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,1,0,0,0,0|2,0,1]=4 2836 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,1,0,0,0,0|1,0,2]=4 2837 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,1,0,0,0,0|1,0,2]=4 2838 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,1,0,0,0,0|1,0,2]=4 2839 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,1,0,0,0,0|1,0,2]=4 2840 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,1,0,0,0,0|1,0,2]=4 2841 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,1,0,0,0,0|1,1,1]=4 2842 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,1,0,0,0,0|1,1,1]=4 2843 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,1,0,0,0,0|1,1,1]=4 2844 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,1,0,0,0,0|1,1,1]=4 2845 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,1,0,0,0,0|2,0,1]=4 2846 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,1,0,0,0,0|2,0,1]=4 2847 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,1,0,0,0,0|1,0,1]=3 2848 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,1,0,0,0,0|1,0,1]=3 2849 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,1,0,0,0,0|1,0,1]=3 2850 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,1,0,0,0,0|1,0,1]=3 2851 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,1,0,0,0,0|1,0,1]=3 2852 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,1,0,0,0,0|1,1,1]=4 2853 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,1,0,0,0,0|1,1,1]=4 2854 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,1,0,0,0,0|1,1,1]=4 2855 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,1,0,0,0,0|1,1,1]=4 2856 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [0,1,0,0,0,0|2,0,1]=4 2857 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,1,0,0,0,0|1,0,0]=2 2858 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,1,0,0,0,0|2,0,1]=4 2859 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,1,0,0,0,0|2,0,1]=4 2860 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,1,0,0,0,0|2,0,1]=4 2861 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,1,0,0,0,0|1,0,2]=4 2862 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,1,0,0,0,0|1,0,2]=4 2863 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,1,0,0,0,0|1,0,2]=4 2864 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,1,0,0,0,0|1,0,2]=4 2865 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,1,0,0,0,0|1,1,1]=4 2866 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,1,0,0,0,0|1,0,1]=3 2867 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,1,0,0,0,0|0,0,0]=1 2868 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,1,0,0,0,0|0,0,0]=1 2869 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,1,0,0,0,0|1,0,1]=3 2870 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,1,0,0,0,0|1,0,1]=3 2871 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,1,0,0,0,0|1,0,1]=3 2872 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,1,0,0,0,0|1,0,1]=3 2873 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,1,0,0,0,0|1,0,1]=3 2874 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,1,0,0,0,0|1,0,1]=3 2875 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,1,0,0,0,0|1,0,1]=3 2876 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,1,0,0,0,0|0,0,2]=3 2877 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,1,0,0,0,0|0,0,2]=3 2878 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,1,0,0,0,0|0,1,1]=3 2879 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [0,1,0,0,0,0|1,1,1]=4 2880 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [0,1,0,0,0,0|1,1,1]=4 2881 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,1,0,0,0,0|0,1,0]=2 2882 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,1,0,0,0,0|0,1,0]=2 2883 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,1,0,0,0,0|1,1,1]=4 2884 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,1,0,0,0,0|1,1,1]=4 2885 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,1,0,0,0,0|1,1,1]=4 2886 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,1,0,0,0,0|1,1,1]=4 2887 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,1,0,0,0,0|0,1,2]=4 2888 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,1,0,0,0,0|0,1,2]=4 2889 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,1,0,0,0,0|0,1,2]=4 2890 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,1,0,0,0,0|0,1,2]=4 2891 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,1,0,0,0,0|0,2,1]=4 2892 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,1,0,0,0,0|0,2,1]=4 2893 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [0,1,0,0,0,0|2,0,1]=4 2894 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,1,0,0,0,0|2,0,1]=4 2895 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,1,0,0,0,0|2,0,1]=4 2896 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,1,0,0,0,0|2,0,1]=4 2897 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,1,0,0,0,0|2,0,1]=4 2898 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,1,0,0,0,0|2,0,1]=4 2899 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,1,0,0,0,0|2,0,1]=4 2900 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,1,0,0,0,0|1,0,2]=4 2901 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,1,0,0,0,0|3,0,0]=4 2902 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,1,0,0,0,0|3,0,0]=4 2903 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,1,0,0,0,0|3,0,0]=4 2904 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,1,0,0,0,0|3,0,0]=4 2905 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,1,0,0,0,0|3,0,0]=4 2906 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,1,0,0,0,0|3,0,0]=4 2907 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [0,1,0,0,0,0|2,0,1]=4 2908 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,1,0,0,0,0|2,0,1]=4 2909 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,1,0,0,0,0|2,0,1]=4 2910 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,1,0,0,0,0|2,0,1]=4 2911 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,1,0,0,0,0|2,0,1]=4 2912 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,1,0,0,0,0|2,0,1]=4 2913 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,1,0,0,0,0|2,0,1]=4 2914 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,1,0,0,0,0|2,0,1]=4 2915 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,1,0,0,0,0|2,0,1]=4 2916 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,1,0,0,0,0|2,0,1]=4 2917 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,1,0,0,0,0|2,0,1]=4 2918 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,1,0,0,0,0|1,0,2]=4 2919 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,1,0,0,0,0|1,0,2]=4 2920 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,1,0,0,0,0|3,0,0]=4 2921 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,1,0,0,0,0|3,0,0]=4 2922 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,1,0,0,0,0|3,0,0]=4 2923 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,1,0,0,0,0|3,0,0]=4 2924 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,1,0,0,0,0|3,0,0]=4 2925 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,1,0,0,0,0|3,0,0]=4 2926 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,1,0,0,0,0|3,0,0]=4 2927 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,1,0,0,0,0|3,0,0]=4 2928 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,1,0,0,0,0|3,0,0]=4 2929 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,1,0,0,0,0|3,0,0]=4 2930 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,1,0,0,0,0|3,0,0]=4 2931 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,1,0,0,0,0|3,0,0]=4 2932 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [0,1,0,0,0,0|2,0,1]=4 2933 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [0,1,0,0,0,0|2,0,1]=4 2934 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,1,0,0,0,0|2,0,1]=4 2935 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,1,0,0,0,0|2,0,1]=4 2936 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,1,0,0,0,0|2,0,1]=4 2937 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,1,0,0,0,0|2,0,1]=4 2938 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,1,0,0,0,0|1,0,2]=4 2939 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,1,0,0,0,0|1,0,2]=4 2940 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,1,0,0,0,0|3,0,0]=4 2941 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,1,0,0,0,0|3,0,0]=4 2942 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,1,0,0,0,0|3,0,0]=4 2943 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,1,0,0,0,0|3,0,0]=4 2944 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,1,0,0,0,0|1,0,1]=3 2945 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,1,0,0,0,0|1,0,1]=3 2946 B9R0.45 CCCCCSCSC#N 62a_100000210326_100000211825 [0,1,0,0,0,0|1,1,1]=4 2947 B9R0.45 CCCCCSCSC#N 62a_100000211825_100000210326 [0,1,0,0,0,0|1,1,1]=4 2948 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [0,1,0,0,0,0|2,0,1]=4 2949 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [0,1,0,0,0,0|2,0,1]=4 2950 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,1,0,0,0,0|1,0,0]=2 2951 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,1,0,0,0,0|1,0,0]=2 2952 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,1,0,0,0,0|2,0,1]=4 2953 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,1,0,0,0,0|2,0,1]=4 2954 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,1,0,0,0,0|1,0,2]=4 2955 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,1,0,0,0,0|1,0,2]=4 2956 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,1,0,0,0,0|1,0,2]=4 2957 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,1,0,0,0,0|1,0,2]=4 2958 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,1,0,0,0,0|3,0,0]=4 2959 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,1,0,0,0,0|3,0,0]=4 2960 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,1,0,0,0,0|3,0,0]=4 2961 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,1,0,0,0,0|3,0,0]=4 2962 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,1,0,0,0,0|1,0,1]=3 2963 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,1,0,0,0,0|1,0,1]=3 2964 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,1,0,0,0,0|1,0,1]=3 2965 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,1,0,0,0,0|1,0,1]=3 2966 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,1,0,0,0,0|1,1,1]=4 2967 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,1,0,0,0,0|1,1,1]=4 2968 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,1,0,0,0,0|1,1,1]=4 2969 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [0,1,0,0,0,0|2,0,1]=4 2970 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,1,0,0,0,0|1,0,0]=2 2971 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,1,0,0,0,0|2,0,1]=4 2972 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,1,0,0,0,0|2,0,1]=4 2973 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,1,0,0,0,0|2,0,1]=4 2974 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,1,0,0,0,0|2,0,1]=4 2975 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,1,0,0,0,0|2,0,1]=4 2976 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,1,0,0,0,0|2,0,1]=4 2977 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,1,0,0,0,0|2,0,1]=4 2978 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,1,0,0,0,0|2,0,1]=4 2979 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,1,0,0,0,0|2,0,1]=4 2980 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,1,0,0,0,0|1,0,2]=4 2981 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,1,0,0,0,0|1,0,2]=4 2982 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [0,1,0,0,0,0|3,0,0]=4 2983 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [0,1,0,0,0,0|3,0,0]=4 2984 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [0,1,0,0,0,0|3,0,0]=4 2985 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [0,1,0,0,0,0|3,0,0]=4 2986 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [0,1,0,0,0,0|3,0,0]=4 2987 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,1,0,0,0,0|3,0,0]=4 2988 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,1,0,0,0,0|3,0,0]=4 2989 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,1,0,0,0,0|3,0,0]=4 2990 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,1,0,0,0,0|3,0,0]=4 2991 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,1,0,0,0,0|3,0,0]=4 2992 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,1,0,0,0,0|3,0,0]=4 2993 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,1,0,0,0,0|3,0,0]=4 2994 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,1,0,0,0,0|3,0,0]=4 2995 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,1,0,0,0,0|3,0,0]=4 2996 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,1,0,0,0,0|2,0,1]=4 2997 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,1,0,0,0,0|1,0,1]=3 2998 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,1,0,0,0,0|1,0,1]=3 2999 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,1,0,0,0,0|1,0,1]=3 3000 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,1,0,0,0,0|1,0,1]=3 3001 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,1,0,0,0,0|1,0,1]=3 3002 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,1,0,0,0,0|1,0,1]=3 3003 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,1,0,0,0,0|1,0,1]=3 3004 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,1,0,0,0,0|1,0,1]=3 3005 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,1,0,0,0,0|1,0,1]=3 3006 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,1,0,0,0,0|1,1,1]=4 3007 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,1,0,0,0,0|1,1,1]=4 3008 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,1,0,0,0,0|1,1,1]=4 3009 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,1,0,0,0,0|1,1,1]=4 3010 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,1,0,0,0,0|1,1,1]=4 3011 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,1,0,0,0,0|1,1,1]=4 3012 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [0,1,0,0,0,0|1,1,1]=4 3013 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [0,1,0,0,0,0|1,1,1]=4 3014 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,1,0,0,0,0|2,0,1]=4 3015 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,1,0,0,0,0|2,0,1]=4 3016 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,1,0,0,0,0|2,0,1]=4 3017 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,1,0,0,0,0|1,1,0]=3 3018 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,1,0,0,0,0|1,1,0]=3 3019 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [0,1,0,0,0,0|2,0,1]=4 3020 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [0,1,0,0,0,0|2,0,1]=4 3021 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,1,0,0,0,0|1,0,0]=2 3022 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,1,0,0,0,0|1,0,0]=2 3023 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,1,0,0,0,0|2,0,1]=4 3024 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,1,0,0,0,0|2,0,1]=4 3025 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,1,0,0,0,0|1,0,2]=4 3026 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,1,0,0,0,0|1,0,2]=4 3027 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,1,0,0,0,0|3,0,0]=4 3028 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,1,0,0,0,0|3,0,0]=4 3029 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,1,0,0,0,0|2,0,1]=4 3030 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,1,0,0,0,0|1,0,1]=3 3031 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,1,0,0,0,0|1,0,1]=3 3032 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,1,0,0,0,0|1,0,1]=3 3033 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,1,0,0,0,0|1,0,1]=3 3034 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,1,0,0,0,0|1,0,1]=3 3035 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,1,0,0,0,0|1,0,1]=3 3036 B9R0.45 CCCCSCCSC#N 62a_100000034367_100000210210 [0,1,0,0,0,0|1,1,1]=4 3037 B9R0.45 CCCCSCCSC#N 62a_100000210211_100000034367 [0,1,0,0,0,0|1,1,1]=4 3038 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,1,0,0,0,0|1,1,1]=4 3039 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,1,0,0,0,0|1,1,1]=4 3040 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,1,0,0,0,0|1,0,2]=4 3041 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,1,0,0,0,0|1,0,2]=4 3042 B9R0.45 CCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210303 [0,1,0,0,0,0|3,0,0]=4 3043 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,1,0,0,0,0|1,0,1]=3 3044 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,1,0,0,0,0|1,0,1]=3 3045 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,1,0,0,0,0|2,0,1]=4 3046 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,1,0,0,0,0|2,0,1]=4 3047 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,1,0,0,0,0|1,0,2]=4 3048 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,1,0,0,0,0|1,0,2]=4 3049 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,1,0,0,0,0|2,0,1]=4 3050 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,1,0,0,0,0|2,0,1]=4 3051 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,1,0,0,0,0|2,0,1]=4 3052 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,1,0,0,0,0|2,0,1]=4 3053 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,1,0,0,0,0|2,0,1]=4 3054 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,1,0,0,0,0|2,0,1]=4 3055 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,1,0,0,0,0|2,0,1]=4 3056 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,1,0,0,0,0|2,0,1]=4 3057 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,1,0,0,0,0|1,0,2]=4 3058 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,1,0,0,0,0|2,0,1]=4 3059 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,1,0,0,0,0|2,0,1]=4 3060 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,1,0,0,0,0|2,0,1]=4 3061 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,1,0,0,0,0|2,0,1]=4 3062 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,1,0,0,0,0|2,0,1]=4 3063 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,1,0,0,0,0|2,0,1]=4 3064 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,1,0,0,0,0|2,0,1]=4 3065 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,1,0,0,0,0|1,0,1]=3 3066 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,1,0,0,0,0|1,0,1]=3 3067 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,1,0,0,0,0|1,0,1]=3 3068 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,1,0,0,0,0|1,1,1]=4 3069 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,1,0,0,0,0|1,1,1]=4 3070 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [0,1,0,0,0,0|2,0,0]=3 3071 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [0,1,0,0,0,0|2,0,0]=3 3072 B9R0.45 CCCOCCOCC#N 7a_100000752267_100011215382 [0,1,0,0,0,0|2,0,1]=4 3073 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [0,1,0,0,0,0|1,0,0]=2 3074 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [0,1,0,0,0,0|1,0,0]=2 3075 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,1,0,0,0,0|2,0,1]=4 3076 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,1,0,0,0,0|2,0,1]=4 3077 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,1,0,0,0,0|2,0,1]=4 3078 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,1,0,0,0,0|2,0,1]=4 3079 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,1,0,0,0,0|2,0,1]=4 3080 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,1,0,0,0,0|2,0,1]=4 3081 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,1,0,0,0,0|2,0,1]=4 3082 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,1,0,0,0,0|2,0,1]=4 3083 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,1,0,0,0,0|2,0,1]=4 3084 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,1,0,0,0,0|2,0,1]=4 3085 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,1,0,0,0,0|2,0,1]=4 3086 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,1,0,0,0,0|2,0,1]=4 3087 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,1,0,0,0,0|2,0,1]=4 3088 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,1,0,0,0,0|2,0,1]=4 3089 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,1,0,0,0,0|2,0,1]=4 3090 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,1,0,0,0,0|2,0,1]=4 3091 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,1,0,0,0,0|1,0,2]=4 3092 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,1,0,0,0,0|1,0,2]=4 3093 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,1,0,0,0,0|1,0,2]=4 3094 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [0,1,0,0,0,0|1,1,1]=4 3095 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,1,0,0,0,0|1,1,0]=3 3096 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,1,0,0,0,0|1,1,0]=3 3097 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,1,0,0,0,0|2,0,1]=4 3098 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,1,0,0,0,0|2,0,1]=4 3099 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,1,0,0,0,0|2,0,1]=4 3100 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,1,0,0,0,0|2,0,1]=4 3101 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [0,1,0,0,0,0|2,0,1]=4 3102 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [0,1,0,0,0,0|2,0,1]=4 3103 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,1,0,0,0,0|1,0,0]=2 3104 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,1,0,0,0,0|1,0,0]=2 3105 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,1,0,0,0,0|2,0,1]=4 3106 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,1,0,0,0,0|2,0,1]=4 3107 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,1,0,0,0,0|1,0,2]=4 3108 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,1,0,0,0,0|1,0,2]=4 3109 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,1,0,0,0,0|3,0,0]=4 3110 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,1,0,0,0,0|3,0,0]=4 3111 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,1,0,0,0,0|1,0,1]=3 3112 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,1,0,0,0,0|1,0,1]=3 3113 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,1,0,0,0,0|2,0,0]=3 3114 B9R0.45 CCCSCCOCC#N 62a_100000210303_200000047693 [0,1,0,0,0,0|2,0,1]=4 3115 B9R0.45 CCCSCCOCC#N 62a_200000047693_100000210303 [0,1,0,0,0,0|2,0,1]=4 3116 B9R0.45 CCCSCCOCC#N 7a_200000230433_100011215382 [0,1,0,0,0,0|2,0,1]=4 3117 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,1,0,0,0,0|1,0,0]=2 3118 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,1,0,0,0,0|1,0,0]=2 3119 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,1,0,0,0,0|2,0,1]=4 3120 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,1,0,0,0,0|2,0,1]=4 3121 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,1,0,0,0,0|1,0,2]=4 3122 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,1,0,0,0,0|1,0,2]=4 3123 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,1,0,0,0,0|1,0,2]=4 3124 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,1,0,0,0,0|1,0,2]=4 3125 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [0,1,0,0,0,0|1,1,1]=4 3126 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [0,1,0,0,0,0|2,0,1]=4 3127 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,1,0,0,0,0|1,0,0]=2 3128 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,1,0,0,0,0|2,0,1]=4 3129 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,1,0,0,0,0|1,0,2]=4 3130 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,1,0,0,0,0|1,0,2]=4 3131 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,1,0,0,0,0|1,0,2]=4 3132 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,1,0,0,0,0|2,0,1]=4 3133 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,1,0,0,0,0|2,0,1]=4 3134 B9R0.45 CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210202 [0,1,0,0,0,0|3,0,0]=4 3135 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,1,0,0,0,0|1,0,1]=3 3136 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,1,0,0,0,0|1,0,1]=3 3137 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,1,0,0,0,0|1,0,1]=3 3138 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,1,0,0,0,0|1,0,1]=3 3139 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,1,0,0,0,0|1,0,1]=3 3140 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,1,0,0,0,0|1,0,1]=3 3141 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,1,0,0,0,0|1,0,1]=3 3142 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,1,0,0,0,0|1,0,1]=3 3143 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,1,0,0,0,0|1,0,1]=3 3144 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,1,0,0,0,0|1,0,1]=3 3145 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [0,1,0,0,0,0|2,0,0]=3 3146 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [0,1,0,0,0,0|2,0,0]=3 3147 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [0,1,0,0,0,0|2,0,1]=4 3148 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [0,1,0,0,0,0|2,0,1]=4 3149 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [0,1,0,0,0,0|2,0,1]=4 3150 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,1,0,0,0,0|2,0,1]=4 3151 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,1,0,0,0,0|2,0,1]=4 3152 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,1,0,0,0,0|2,0,1]=4 3153 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,1,0,0,0,0|2,0,1]=4 3154 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [0,1,0,0,0,0|2,0,1]=4 3155 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [0,1,0,0,0,0|2,0,1]=4 3156 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [0,1,0,0,0,0|2,0,1]=4 3157 B9R0.45 CCOCCCOCC#N 7a_100000757476_100011215382 [0,1,0,0,0,0|2,0,1]=4 3158 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [0,1,0,0,0,0|1,0,0]=2 3159 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [0,1,0,0,0,0|1,0,0]=2 3160 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [0,1,0,0,0,0|2,0,1]=4 3161 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [0,1,0,0,0,0|2,0,1]=4 3162 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [0,1,0,0,0,0|2,0,1]=4 3163 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [0,1,0,0,0,0|2,0,1]=4 3164 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,1,0,0,0,0|1,0,2]=4 3165 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,1,0,0,0,0|1,0,2]=4 3166 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [0,1,0,0,0,0|1,1,1]=4 3167 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [0,1,0,0,0,0|1,1,0]=3 3168 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [0,1,0,0,0,0|1,1,0]=3 3169 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,1,0,0,0,0|2,0,1]=4 3170 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,1,0,0,0,0|2,0,1]=4 3171 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,1,0,0,0,0|2,0,1]=4 3172 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,1,0,0,0,0|2,0,1]=4 3173 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [0,1,0,0,0,0|2,0,1]=4 3174 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [0,1,0,0,0,0|2,0,1]=4 3175 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [0,1,0,0,0,0|2,0,1]=4 3176 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [0,1,0,0,0,0|2,0,1]=4 3177 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [0,1,0,0,0,0|2,0,1]=4 3178 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [0,1,0,0,0,0|2,0,1]=4 3179 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [0,1,0,0,0,0|2,0,1]=4 3180 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [0,1,0,0,0,0|2,0,1]=4 3181 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,1,0,0,0,0|2,0,1]=4 3182 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,1,0,0,0,0|2,0,1]=4 3183 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [0,1,0,0,0,0|2,0,1]=4 3184 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [0,1,0,0,0,0|2,0,1]=4 3185 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [0,1,0,0,0,0|2,0,1]=4 3186 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [0,1,0,0,0,0|2,0,1]=4 3187 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [0,1,0,0,0,0|2,0,1]=4 3188 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [0,1,0,0,0,0|2,0,1]=4 3189 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [0,1,0,0,0,0|2,0,1]=4 3190 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [0,1,0,0,0,0|2,0,1]=4 3191 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [0,1,0,0,0,0|2,0,1]=4 3192 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [0,1,0,0,0,0|2,0,1]=4 3193 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [0,1,0,0,0,0|2,0,1]=4 3194 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [0,1,0,0,0,0|2,0,1]=4 3195 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,1,0,0,0,0|2,0,1]=4 3196 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,1,0,0,0,0|2,0,1]=4 3197 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [0,1,0,0,0,0|2,0,1]=4 3198 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [0,1,0,0,0,0|2,0,1]=4 3199 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [0,1,0,0,0,0|2,0,1]=4 3200 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [0,1,0,0,0,0|2,0,1]=4 3201 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [0,1,0,0,0,0|2,0,1]=4 3202 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [0,1,0,0,0,0|2,0,1]=4 3203 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [0,1,0,0,0,0|2,0,1]=4 3204 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [0,1,0,0,0,0|2,0,1]=4 3205 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [0,1,0,0,0,0|2,0,1]=4 3206 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [0,1,0,0,0,0|2,0,1]=4 3207 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [0,1,0,0,0,0|2,0,1]=4 3208 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [0,1,0,0,0,0|2,0,1]=4 3209 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [0,1,0,0,0,0|2,0,1]=4 3210 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [0,1,0,0,0,0|2,0,1]=4 3211 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [0,1,0,0,0,0|2,0,1]=4 3212 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [0,1,0,0,0,0|2,0,1]=4 3213 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [0,1,0,0,0,0|2,0,1]=4 3214 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [0,1,0,0,0,0|2,0,1]=4 3215 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [0,1,0,0,0,0|2,0,1]=4 3216 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [0,1,0,0,0,0|2,0,1]=4 3217 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [0,1,0,0,0,0|2,0,1]=4 3218 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [0,1,0,0,0,0|2,0,1]=4 3219 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [0,1,0,0,0,0|2,0,1]=4 3220 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [0,1,0,0,0,0|2,0,1]=4 3221 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [0,1,0,0,0,0|2,0,1]=4 3222 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [0,1,0,0,0,0|2,0,1]=4 3223 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [0,1,0,0,0,0|2,0,1]=4 3224 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,1,0,0,0,0|2,0,1]=4 3225 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,1,0,0,0,0|2,0,1]=4 3226 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,1,0,0,0,0|2,0,1]=4 3227 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,1,0,0,0,0|2,0,1]=4 3228 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,1,0,0,0,0|2,0,1]=4 3229 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,1,0,0,0,0|2,0,1]=4 3230 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [0,1,0,0,0,0|2,0,1]=4 3231 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [0,1,0,0,0,0|2,0,1]=4 3232 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [0,1,0,0,0,0|2,0,1]=4 3233 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [0,1,0,0,0,0|2,0,1]=4 3234 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,1,0,0,0,0|2,0,0]=3 3235 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,1,0,0,0,0|2,0,0]=3 3236 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [0,1,0,0,0,0|2,0,1]=4 3237 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [0,1,0,0,0,0|2,0,1]=4 3238 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,1,0,0,0,0|2,0,1]=4 3239 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,1,0,0,0,0|2,0,1]=4 3240 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [0,1,0,0,0,0|2,0,1]=4 3241 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [0,1,0,0,0,0|2,0,1]=4 3242 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [0,1,0,0,0,0|2,0,1]=4 3243 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [0,1,0,0,0,0|2,0,1]=4 3244 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [0,1,0,0,0,0|2,0,1]=4 3245 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [0,1,0,0,0,0|2,0,1]=4 3246 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,1,0,0,0,0|1,0,0]=2 3247 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,1,0,0,0,0|1,0,0]=2 3248 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,1,0,0,0,0|1,1,1]=4 3249 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,1,0,0,0,0|1,1,1]=4 3250 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,1,0,0,0,0|1,0,2]=4 3251 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,1,0,0,0,0|1,0,2]=4 3252 B9R0.45 CCSCCCOCC#N 7a_100011216438_100011215382 [0,1,0,0,0,0|2,0,1]=4 3253 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [0,1,0,0,0,0|1,0,0]=2 3254 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [0,1,0,0,0,0|1,0,0]=2 3255 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [0,1,0,0,0,0|2,0,1]=4 3256 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [0,1,0,0,0,0|2,0,1]=4 3257 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,1,0,0,0,0|1,0,2]=4 3258 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,1,0,0,0,0|1,0,2]=4 3259 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [0,1,0,0,0,0|1,1,1]=4 3260 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [0,1,0,0,0,0|2,0,1]=4 3261 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [0,1,0,0,0,0|2,0,1]=4 3262 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,1,0,0,0,0|1,0,2]=4 3263 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,1,0,0,0,0|1,0,2]=4 3264 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,1,0,0,0,0|1,0,2]=4 3265 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,1,0,0,0,0|1,0,2]=4 3266 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,1,0,0,0,0|1,0,2]=4 3267 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,1,0,0,0,0|3,0,0]=4 3268 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,1,0,0,0,0|3,0,0]=4 3269 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,1,0,0,0,0|3,0,0]=4 3270 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [0,1,0,0,0,0|1,0,1]=3 3271 B9R0.45 CNCCOCCOCF 34a_100000228057_100015361967 [0,1,0,0,0,0|2,0,1]=4 3272 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,1,0,0,0,0|2,0,1]=4 3273 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,1,0,0,0,0|2,0,1]=4 3274 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,1,0,0,0,0|2,0,1]=4 3275 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,1,0,0,0,0|1,0,2]=4 3276 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,1,0,0,0,0|3,0,0]=4 3277 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,1,0,0,0,0|3,0,0]=4 3278 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,1,0,0,0,0|3,0,0]=4 3279 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,1,0,0,0,0|3,0,0]=4 3280 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,1,0,0,0,0|3,0,0]=4 3281 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,1,0,0,0,0|3,0,0]=4 3282 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,1,0,0,0,0|3,0,0]=4 3283 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,1,0,0,0,0|3,0,0]=4 3284 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,1,0,0,0,0|3,0,0]=4 3285 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [0,1,0,0,0,0|2,0,1]=4 3286 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [0,1,0,0,0,0|1,0,0]=2 3287 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,1,0,0,0,0|2,0,1]=4 3288 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,1,0,0,0,0|2,0,1]=4 3289 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,1,0,0,0,0|2,0,1]=4 3290 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,1,0,0,0,0|1,0,2]=4 3291 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [0,1,0,0,0,0|1,1,1]=4 3292 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,1,0,0,0,0|1,1,0]=3 3293 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,1,0,0,0,0|1,1,0]=3 3294 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,1,0,0,0,0|2,0,0]=3 3295 B9R0.45 COCCOCCOCF 34a_100011215163_100015361967 [0,1,0,0,0,0|2,0,1]=4 3296 B9R0.45 COCCOCCOCF 7a_100011215163_100015361967 [0,1,0,0,0,0|2,0,1]=4 3297 B9R0.45 COCCOCSCC=O 62a_100000231047_200015260668 [0,1,0,0,0,0|2,1,0]=4 3298 B9R0.45 COCCOCSCC=O 62a_200015260668_100000231047 [0,1,0,0,0,0|2,1,0]=4 3299 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,1,0,0,0,0|2,0,0]=3 3300 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,1,0,0,0,0|2,0,0]=3 3301 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,1,0,0,0,0|2,0,0]=3 3302 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,1,0,0,0,0|2,0,0]=3 3303 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [0,1,0,0,0,0|2,0,1]=4 3304 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [0,1,0,0,0,0|2,0,1]=4 3305 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,1,0,0,0,0|1,0,2]=4 3306 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,1,0,0,0,0|1,0,2]=4 3307 B9R0.45 CSCCCCOCC#N 7a_100011217163_100011215382 [0,1,0,0,0,0|2,0,1]=4 3308 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [0,1,0,0,0,0|1,0,0]=2 3309 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [0,1,0,0,0,0|1,0,0]=2 3310 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [0,1,0,0,0,0|2,0,1]=4 3311 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [0,1,0,0,0,0|2,0,1]=4 3312 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,1,0,0,0,0|1,0,2]=4 3313 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,1,0,0,0,0|1,0,2]=4 3314 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [0,1,0,0,0,0|1,1,1]=4 3315 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,1,0,0,0,0|2,0,0]=3 3316 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,1,0,0,0,0|2,0,0]=3 3317 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,1,0,0,0,0|2,0,0]=3 3318 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,1,0,0,0,0|2,0,0]=3 3319 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [0,1,0,0,0,0|1,1,1]=4 3320 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [0,1,0,0,0,0|1,1,1]=4 3321 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [0,1,0,0,0,0|1,1,1]=4 3322 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [0,1,0,0,0,0|1,1,1]=4 3323 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,1,0,0,0,0|2,0,0]=3 3324 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,1,0,0,0,0|2,0,0]=3 3325 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,1,0,0,0,0|1,0,1]=3 3326 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,1,0,0,0,0|1,0,1]=3 3327 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [0,1,0,0,0,0|1,1,1]=4 3328 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [0,1,0,0,0,0|1,1,1]=4 3329 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [0,1,0,0,0,0|2,0,1]=4 3330 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [0,1,0,0,0,0|2,0,1]=4 3331 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [0,1,0,0,0,0|2,0,1]=4 3332 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [0,1,0,0,0,0|2,0,1]=4 3333 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [0,1,0,0,0,0|2,0,1]=4 3334 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [0,1,0,0,0,0|2,0,1]=4 3335 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [0,1,0,0,0,0|2,0,1]=4 3336 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,1,0,0,0,0|1,0,1]=3 3337 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,1,0,0,0,0|1,0,1]=3 3338 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,1,0,0,0,0|1,0,1]=3 3339 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,1,0,0,0,0|1,0,1]=3 3340 B9R0.45 N#CCCCCSCC=O 62a_100011219923_200015260668 [0,1,0,0,0,0|1,1,1]=4 3341 B9R0.45 N#CCCCCSCC=O 62a_200015260668_100000211819 [0,1,0,0,0,0|1,1,1]=4 3342 B9R0.45 N#CCCSCCCC=O 62a_100011215226_200011292268 [0,1,0,0,0,0|2,0,1]=4 3343 B9R0.45 N#CCCSCCCC=O 62a_200011292268_100011215226 [0,1,0,0,0,0|2,0,1]=4 3344 B9R0.45 N#CCOCCCCCBr 7a_100000746331_100011215382 [0,1,0,0,0,0|2,0,1]=4 3345 B9R0.45 N#CCOCCCCCCl 7a_100000746330_100011215382 [0,1,0,0,0,0|2,0,1]=4 3346 B9R0.45 N#CCOCCCCCI 7a_200012148887_100011215382 [0,1,0,0,0,0|2,0,1]=4 3347 B9R0.45 N#CCSCCCCC=O 62a_100000139335_100011215382 [0,1,0,0,0,0|2,0,1]=4 3348 B9R0.45 N#CCSCCCCC=O 62a_100011215382_100000139335 [0,1,0,0,0,0|2,0,1]=4 3349 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,1,0,0,0,0|1,0,1]=3 3350 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [0,1,0,0,0,0|1,0,0]=2 3351 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [0,1,0,0,0,0|2,0,1]=4 3352 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,1,0,0,0,0|1,0,2]=4 3353 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [0,1,0,0,0,0|2,0,1]=4 3354 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,1,0,0,0,0|2,0,1]=4 3355 B9R0.45 NCCOCCOCC=O 34a_100000211614_200009817547 [0,1,0,0,0,0|2,0,0]=3 3356 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [0,1,0,0,0,0|2,0,0]=3 3357 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [0,1,0,0,0,0|2,0,0]=3 3358 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,1,0,0,0,0|2,0,0]=3 3359 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [0,1,0,0,0,0|1,1,1]=4 3360 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [0,1,0,0,0,0|1,1,1]=4 3361 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [0,1,0,0,0,0|2,0,0]=3 3362 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [0,1,0,0,0,0|2,0,0]=3 3363 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,1,0,0,0,0|2,0,0]=3 3364 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,1,0,0,0,0|2,0,0]=3 3365 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [0,1,0,0,0,0|2,0,0]=3 3366 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,1,0,0,0,0|2,0,0]=3 3367 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,1,0,0,0,0|2,0,0]=3 3368 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,1,0,0,0,0|2,0,0]=3 3369 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,1,0,0,0,0|2,0,0]=3 3370 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,1,0,0,0,0|2,0,0]=3 3371 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,1,0,0,0,0|2,0,0]=3 3372 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [0,1,0,0,0,0|3,0,0]=4 3373 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [0,1,0,0,0,0|3,0,0]=4 3374 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [0,1,0,0,0,0|3,0,0]=4 3375 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [0,1,0,0,0,0|1,0,0]=2 3376 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [0,1,0,0,0,0|1,0,0]=2 3377 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [0,1,0,0,0,0|1,0,0]=2 3378 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [0,1,0,0,0,0|1,0,0]=2 3379 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [0,1,0,0,0,0|1,0,0]=2 3380 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [0,1,0,0,0,0|1,0,0]=2 3381 B9R0.45 O=CCOCCOCCBr 34a_100000692535_200009817547 [0,1,0,0,0,0|2,0,0]=3 3382 B9R0.45 O=CCOCCOCCBr 7a_100000692535_200015260668 [0,1,0,0,0,0|2,0,0]=3 3383 B9R0.45 O=CCOCCOCCCl 34a_100011215305_200009817547 [0,1,0,0,0,0|2,0,0]=3 3384 B9R0.45 O=CCOCCOCCCl 7a_100011215305_200015260668 [0,1,0,0,0,0|2,0,0]=3 3385 B9R0.45 O=CCOCCOCCF 34a_200015357709_200009817547 [0,1,0,0,0,0|2,0,0]=3 3386 B9R0.45 O=CCOCCOCCF 7a_200015357709_200015260668 [0,1,0,0,0,0|2,0,0]=3 3387 B9R0.45 O=CCOCCOCCI 34a_100012149058_200009817547 [0,1,0,0,0,0|2,0,0]=3 3388 B9R0.45 O=CCOCCOCCI 7a_100012149058_200015260668 [0,1,0,0,0,0|2,0,0]=3 3389 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [0,1,0,0,0,0|1,1,0]=3 3390 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [0,1,0,0,0,0|1,1,0]=3 3391 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,1,0,0,0,0|1,1,0]=3 3392 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,1,0,0,0,0|1,1,0]=3 3393 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [0,1,0,0,0,0|2,1,0]=4 3394 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [0,1,0,0,0,0|2,1,0]=4 3395 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,1,0,0,0,0|2,0,1]=4 3396 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,1,0,0,0,0|1,1,1]=4 3397 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,1,0,0,0,0|1,1,1]=4 3398 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,1,0,0,0,0|2,0,1]=4 3399 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,1,0,0,0,0|1,0,2]=4 3400 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,1,0,0,0,0|1,0,2]=4 3401 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,1,0,0,0,0|1,0,2]=4 3402 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,1,0,0,0,0|1,0,2]=4 3403 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,1,0,0,0,0|1,0,2]=4 3404 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,1,0,0,0,0|1,0,2]=4 3405 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,1,0,0,0,0|1,0,2]=4 3406 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,1,0,0,0,0|1,0,2]=4 3407 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,1,0,0,0,0|2,0,1]=4 3408 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,1,0,0,0,0|2,0,1]=4 3409 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,1,0,0,0,0|2,0,1]=4 3410 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [0,1,0,0,0,0|2,0,1]=4 3411 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [0,1,0,0,0,0|2,0,1]=4 3412 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,1,0,0,0,0|1,0,2]=4 3413 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,1,0,0,0,0|1,0,2]=4 3414 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|2,0,1]=4 3415 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [0,1,0,0,0,0|3,0,0]=4 3416 B9R0.46 C/C=C/COCC(C)CC 34a_100016270725_100000748023 [0,1,0,0,0,0|3,0,0]=4 3417 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [0,1,0,0,0,0|3,0,0]=4 3418 B9R0.46 C/C=C/COC[C@@H](C)CC 34a_100016270725_100009816398 [0,1,0,0,0,0|3,0,0]=4 3419 B9R0.46 C/C=C/COC[C@@H](C)CC 7a_100009816381_100102629194 [0,1,0,0,0,0|3,0,0]=4 3420 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [0,1,0,0,0,0|3,0,0]=4 3421 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [0,1,0,0,0,0|3,0,0]=4 3422 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [0,1,0,0,0,0|3,0,0]=4 3423 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [0,1,0,0,0,0|3,0,0]=4 3424 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [0,1,0,0,0,0|3,0,0]=4 3425 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [0,1,0,0,0,0|3,0,0]=4 3426 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|2,0,0]=3 3427 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,0,0,0,0|3,0,0]=4 3428 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|3,0,0]=4 3429 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|3,0,0]=4 3430 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,0,0,0,0|3,0,0]=4 3431 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,0,0,0,0|3,0,0]=4 3432 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|3,0,0]=4 3433 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|3,0,0]=4 3434 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|3,0,0]=4 3435 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,1,0,0,0,0|3,0,0]=4 3436 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,1,0,0,0,0|3,0,0]=4 3437 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,1,0,0,0,0|3,0,0]=4 3438 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,1,0,0,0,0|3,0,0]=4 3439 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,1,0,0,0,0|3,0,0]=4 3440 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,1,0,0,0,0|3,0,0]=4 3441 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,1,0,0,0,0|3,0,0]=4 3442 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,1,0,0,0,0|3,0,0]=4 3443 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,1,0,0,0,0|3,0,0]=4 3444 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,1,0,0,0,0|3,0,0]=4 3445 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|2,0,1]=4 3446 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|2,0,1]=4 3447 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [0,1,0,0,0,0|3,0,0]=4 3448 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [0,1,0,0,0,0|3,0,0]=4 3449 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [0,1,0,0,0,0|3,0,0]=4 3450 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [0,1,0,0,0,0|3,0,0]=4 3451 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [0,1,0,0,0,0|3,0,0]=4 3452 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [0,1,0,0,0,0|3,0,0]=4 3453 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [0,1,0,0,0,0|3,0,0]=4 3454 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [0,1,0,0,0,0|3,0,0]=4 3455 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [0,1,0,0,0,0|3,0,0]=4 3456 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [0,1,0,0,0,0|3,0,0]=4 3457 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [0,1,0,0,0,0|3,0,0]=4 3458 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [0,1,0,0,0,0|3,0,0]=4 3459 B9R0.46 C=CCCNCC(C)CC 2230a_100015191253_100000748023 [0,1,0,0,0,0|3,0,0]=4 3460 B9R0.46 C=CCCNCC(C)CC 2230a_100020588543_100000754431 [0,1,0,0,0,0|3,0,0]=4 3461 B9R0.46 C=CCCNCC(C)CC 270004a_100015191253_100000243153 [0,1,0,0,0,0|3,0,0]=4 3462 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [0,1,0,0,0,0|3,0,0]=4 3463 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [0,1,0,0,0,0|3,0,0]=4 3464 B9R0.46 C=CCCNC[C@@H](C)CC 2230a_100015191253_100009816398 [0,1,0,0,0,0|3,0,0]=4 3465 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [0,1,0,0,0,0|3,0,0]=4 3466 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [0,1,0,0,0,0|3,0,0]=4 3467 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [0,1,0,0,0,0|3,0,0]=4 3468 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [0,1,0,0,0,0|3,0,0]=4 3469 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [0,1,0,0,0,0|3,0,0]=4 3470 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [0,1,0,0,0,0|3,0,0]=4 3471 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [0,1,0,0,0,0|3,0,0]=4 3472 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [0,1,0,0,0,0|3,0,0]=4 3473 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [0,1,0,0,0,0|3,0,0]=4 3474 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [0,1,0,0,0,0|3,0,0]=4 3475 B9R0.46 C=CCNCCC(C)CC 2230a_100020591266_100000210623 [0,1,0,0,0,0|3,0,0]=4 3476 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [0,1,0,0,0,0|3,0,0]=4 3477 B9R0.46 C=COCCNC(C)CC 2230a_100000209981_100000039644 [0,1,0,0,0,0|2,0,0]=3 3478 B9R0.46 C=COCCN[C@H](C)CO 2230a_100000737577_100000039644 [0,1,0,0,0,0|3,0,0]=4 3479 B9R0.46 C=COCCOC(C)CC 34a_100000033082_100011215416 [0,1,0,0,0,0|2,0,0]=3 3480 B9R0.46 C=COCCOC(C)CC 7a_100000210228_100000039644 [0,1,0,0,0,0|2,0,0]=3 3481 B9R0.46 C=COCCOC(C)CF 34a_100016041109_100000039644 [0,1,0,0,0,0|3,0,0]=4 3482 B9R0.46 C=COCCOC(C)CF 7a_100016041109_100000039644 [0,1,0,0,0,0|3,0,0]=4 3483 B9R0.46 C=COCCOC(C)CN 34a_100000210904_100000039644 [0,1,0,0,0,0|3,0,0]=4 3484 B9R0.46 C=COCCOC(C)CO 34a_100000033082_100012180447 [0,1,0,0,0,0|3,0,0]=4 3485 B9R0.46 C=COCCSC(C)CC 62a_100000039644_100000758301 [0,1,0,0,0,0|2,0,0]=3 3486 B9R0.46 C=COCCSC(C)CC 62a_100000758301_100000039644 [0,1,0,0,0,0|2,0,0]=3 3487 B9R0.46 C=COCCSC(C)CO 62a_100012180447_100000039644 [0,1,0,0,0,0|3,0,0]=4 3488 B9R0.46 C=COCCSC(C)OC 62a_100000039644_100009879195 [0,1,0,0,0,0|3,0,0]=4 3489 B9R0.46 C=COCCSC(C)OC 62a_100009879195_100000039644 [0,1,0,0,0,0|3,0,0]=4 3490 B9R0.46 C=COCCS[C@H](C)CO 62a_100000039644_100016084084 [0,1,0,0,0,0|3,0,0]=4 3491 B9R0.46 C=COCCS[C@H](C)CO 62a_100016084084_100000039644 [0,1,0,0,0,0|3,0,0]=4 3492 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|3,0,0]=4 3493 B9R0.46 CC(CF)OCCCC=O 7a_100016041109_200011292268 [0,1,0,0,0,0|3,0,0]=4 3494 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [0,1,0,0,0,0|3,0,0]=4 3495 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [0,1,0,0,0,0|3,0,0]=4 3496 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [0,1,0,0,0,0|3,0,0]=4 3497 B9R0.46 CC=CCNCC(C)CC 2230a_100020588543_100000070051 [0,1,0,0,0,0|3,0,0]=4 3498 B9R0.46 CC=CCNCC(O)CC 2230a_100011218483_100000070051 [0,1,0,0,0,0|3,0,0]=4 3499 B9R0.46 CC=CCOC[C@@H](C)CC 7a_100009816381_100000070051 [0,1,0,0,0,0|3,0,0]=4 3500 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [0,1,0,0,0,0|3,0,0]=4 3501 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [0,1,0,0,0,0|3,0,0]=4 3502 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [0,1,0,0,0,0|3,0,0]=4 3503 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [0,1,0,0,0,0|3,0,0]=4 3504 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [0,1,0,0,0,0|3,0,0]=4 3505 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [0,1,0,0,0,0|3,0,0]=4 3506 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,1,0,0,0,0|1,0,1]=3 3507 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [0,1,0,0,0,0|2,0,0]=3 3508 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [0,1,0,0,0,0|2,0,0]=3 3509 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [0,1,0,0,0,0|2,0,0]=3 3510 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [0,1,0,0,0,0|2,0,0]=3 3511 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [0,1,0,0,0,0|2,0,0]=3 3512 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [0,1,0,0,0,0|2,0,0]=3 3513 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|2,0,1]=4 3514 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|2,0,1]=4 3515 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|2,0,1]=4 3516 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|1,0,2]=4 3517 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|3,0,0]=4 3518 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|3,0,0]=4 3519 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|3,0,0]=4 3520 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|3,0,0]=4 3521 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|3,0,0]=4 3522 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|3,0,0]=4 3523 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|3,0,0]=4 3524 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|3,0,0]=4 3525 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|3,0,0]=4 3526 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|3,0,0]=4 3527 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|3,0,0]=4 3528 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|3,0,0]=4 3529 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|3,0,0]=4 3530 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|3,0,0]=4 3531 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|3,0,0]=4 3532 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|3,0,0]=4 3533 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|3,0,0]=4 3534 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|3,0,0]=4 3535 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|3,0,0]=4 3536 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|3,0,0]=4 3537 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|3,0,0]=4 3538 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,0,0,0,0|2,0,1]=4 3539 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,0,0,0,0|2,0,1]=4 3540 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,0,0,0,0|2,0,1]=4 3541 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,0,0,0,0|2,0,1]=4 3542 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,1,0,0,0,0|2,0,1]=4 3543 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [0,1,0,0,0,0|2,0,0]=3 3544 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [0,1,0,0,0,0|2,0,0]=3 3545 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|1,0,2]=4 3546 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,0,0,0,0|1,0,1]=3 3547 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,1,0,0,0,0|2,0,1]=4 3548 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,1,0,0,0,0|2,0,1]=4 3549 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,1,0,0,0,0|2,0,1]=4 3550 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,1,0,0,0,0|2,0,1]=4 3551 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,1,0,0,0,0|2,0,1]=4 3552 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,1,0,0,0,0|2,0,1]=4 3553 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,1,0,0,0,0|2,0,1]=4 3554 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,1,0,0,0,0|2,0,1]=4 3555 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,1,0,0,0,0|2,0,1]=4 3556 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,1,0,0,0,0|2,0,1]=4 3557 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,1,0,0,0,0|2,0,1]=4 3558 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,1,0,0,0,0|2,0,1]=4 3559 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,1,0,0,0,0|2,0,1]=4 3560 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,1,0,0,0,0|2,0,1]=4 3561 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,1,0,0,0,0|2,0,1]=4 3562 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,1,0,0,0,0|2,0,1]=4 3563 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,1,0,0,0,0|2,0,1]=4 3564 B9R0.46 COC(C)CCOCC=O 7a_100000764861_200015260668 [0,1,0,0,0,0|3,0,0]=4 3565 B9R0.46 COC(C)SCCCC=O 62a_100009879195_200011292268 [0,1,0,0,0,0|3,0,0]=4 3566 B9R0.46 COC(C)SCCCC=O 62a_200011292268_100009879195 [0,1,0,0,0,0|3,0,0]=4 3567 B9R0.46 C[C@@H](CN)CCCOCF 34a_100160569302_100015361967 [0,1,0,0,0,0|2,0,1]=4 3568 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [0,1,0,0,0,0|3,0,0]=4 3569 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [0,1,0,0,0,0|3,0,0]=4 3570 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [0,1,0,0,0,0|3,0,0]=4 3571 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [0,0,0,1,0,0|3,0,0]=4 3572 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [0,0,0,1,0,0|3,0,0]=4 3573 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [0,0,0,1,0,0|3,0,0]=4 3574 B9R1.8 CCCN1CCOCC1 2230a_100015191051_100000210303 [0,0,0,1,0,0|2,0,1]=4 3575 B9R1.8 CCCN1CCOCC1 269982a_100015191051_100000210303 [0,0,0,1,0,0|2,0,1]=4 3576 B9R1.8 CCCN1CCOCC1 34a_100015191051_100000210303 [0,0,0,1,0,0|2,0,1]=4 3577 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,0,0,1,0,0|3,0,0]=4 3578 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,0,0,1,0,0|2,0,1]=4 3579 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,0,0,1,0,0|2,0,1]=4 3580 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,0,0,1,0,0|2,0,1]=4 3581 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [0,0,0,1,0,0|2,0,1]=4 3582 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [0,0,0,1,0,0|2,0,1]=4 3583 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [0,0,0,1,0,0|2,0,1]=4 3584 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,0,0,1,0,0|3,0,0]=4 3585 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [0,0,0,1,0,0|3,0,0]=4 3586 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,0,0,1,0,0|1,0,1]=3 3587 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,0,0,1,0,0|1,0,1]=3 3588 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,0,0,1,0,0|1,0,1]=3 3589 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,0,0,1,0,0|2,0,1]=4 3590 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,0,0,1,0,0|2,0,1]=4 3591 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,0,0,1,0,0|2,0,1]=4 3592 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,0,0,1,0,0|2,0,1]=4 3593 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,0,0,1,0,0|2,0,1]=4 3594 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,0,0,1,0,0|2,0,1]=4 3595 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,0,0,1,0,0|2,0,1]=4 3596 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,0,0,1,0,0|2,0,1]=4 3597 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [0,0,0,1,0,0|3,0,0]=4 3598 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [0,0,0,1,0,0|3,0,0]=4 3599 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,0,0,1,0,0|1,1,1]=4 3600 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,0,0,1,0,0|1,1,1]=4 3601 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [0,0,0,1,0,0|2,0,1]=4 3602 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [0,0,0,1,0,0|3,0,0]=4 3603 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,0,0,1,0,0|3,0,0]=4 3604 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,0,0,1,0,0|3,0,0]=4 3605 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,0,0,1,0,0|3,0,0]=4 3606 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,0,0,1,0,0|3,0,0]=4 3607 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,0,0,1,0,0|3,0,0]=4 3608 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,0,0,1,0,0|3,0,0]=4 3609 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [0,0,0,1,0,0|2,0,1]=4 3610 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [0,0,0,1,0,0|2,0,1]=4 3611 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [0,0,0,1,0,0|2,0,1]=4 3612 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [0,0,0,1,0,0|2,0,1]=4 3613 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [0,0,0,1,0,0|2,0,1]=4 3614 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [0,0,0,1,0,0|2,0,1]=4 3615 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [0,0,0,1,0,0|3,0,0]=4 3616 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,0,0,1,0,0|2,0,1]=4 3617 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,0,0,1,0,0|3,0,0]=4 3618 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,0,0,1,0,0|3,0,0]=4 3619 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,0,0,1,0,0|3,0,0]=4 3620 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,0,0,1,0,0|2,0,1]=4 3621 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,0,0,1,0,0|2,0,1]=4 3622 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,0,0,1,0,0|3,0,0]=4 3623 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,0,0,1,0,0|3,0,0]=4 3624 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [0,0,0,1,0,0|2,0,1]=4 3625 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [0,0,0,1,0,0|2,0,1]=4 3626 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,0,0,1,0,0|2,0,1]=4 3627 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,0,0,1,0,0|1,0,1]=3 3628 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,0,0,1,0,0|1,0,1]=3 3629 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,0,0,1,0,0|2,0,1]=4 3630 B9R1.8 FCOC1CCCOC1 34a_100000754041_100015361967 [0,0,0,1,0,0|2,0,1]=4 3631 B9R1.8 FCOC1CCCSC1 7a_100015962668_100015361967 [0,0,0,1,0,0|2,0,1]=4 3632 B9R1.8 FCOC1CCOCC1 34a_100000744328_100015361967 [0,0,0,1,0,0|2,0,1]=4 3633 B9R1.8 FCOC1CCSCC1 34a_100000731022_100015361967 [0,0,0,1,0,0|2,0,1]=4 3634 B9R1.8 FCOC1CCSCC1 7a_100000731022_100015361967 [0,0,0,1,0,0|2,0,1]=4 3635 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,0,0,1,0,0|1,1,1]=4 3636 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,0,0,1,0,0|1,1,1]=4 3637 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [0,0,0,1,0,0|3,0,0]=4 3638 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [0,0,0,1,0,0|3,0,0]=4 3639 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [0,0,0,1,0,0|3,0,0]=4 3640 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [0,0,0,1,0,0|3,0,0]=4 3641 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [0,0,0,1,0,0|3,0,0]=4 3642 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [0,0,0,1,0,0|3,0,0]=4 3643 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [0,0,0,1,0,0|3,0,0]=4 3644 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [0,0,0,1,0,0|3,0,0]=4 3645 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,0,0,1,0,0|3,0,0]=4 3646 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,0,0,1,0,0|3,0,0]=4 3647 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [0,0,0,1,0,0|2,0,1]=4 3648 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [0,0,0,1,0,0|2,0,1]=4 3649 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [0,0,0,1,0,0|3,0,0]=4 3650 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,0,0,1,0,0|2,0,1]=4 3651 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,0,0,1,0,0|3,0,0]=4 3652 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,0,0,1,0,0|3,0,0]=4 3653 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,0,0,1,0,0|2,0,1]=4 3654 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,0,0,1,0,0|3,0,0]=4 3655 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,0,0,1,0,0|3,0,0]=4 3656 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [0,0,0,1,0,0|2,0,1]=4 3657 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [0,0,0,1,0,0|2,0,1]=4 3658 B9R1.12 C/C=C/CN1CCCC1 269982a_100000188435_100102629194 [0,0,0,1,0,0|3,0,0]=4 3659 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [0,0,0,1,0,0|3,0,0]=4 3660 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [0,0,0,1,0,0|3,0,0]=4 3661 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [0,0,0,1,0,0|3,0,0]=4 3662 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [0,0,0,1,0,0|3,0,0]=4 3663 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [0,0,0,1,0,0|3,0,0]=4 3664 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [0,0,0,1,0,0|3,0,0]=4 3665 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [0,0,0,1,0,0|3,0,0]=4 3666 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [0,0,0,1,0,0|3,0,0]=4 3667 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [0,0,0,1,0,0|3,0,0]=4 3668 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [0,0,0,1,0,0|3,0,0]=4 3669 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [0,0,0,1,0,0|3,0,0]=4 3670 B9R1.12 CC=CCN1CCCC1 2230a_100000188435_100000070051 [0,0,0,1,0,0|3,0,0]=4 3671 B9R1.12 CC=NNC1CCCC1 4a_100000737850_200000210099 [0,0,0,1,0,0|3,0,0]=4 3672 B9R1.12 CCCCN1CC=CC1 269982a_100015195280_100000210211 [0,0,0,1,0,0|3,0,0]=4 3673 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,0,0,1,0,0|1,0,2]=4 3674 B9R1.12 CCCNC1CC=CC1 2230a_100015188752_100000210303 [0,0,0,1,0,0|3,0,0]=4 3675 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [0,0,0,1,0,0|2,0,1]=4 3676 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [0,0,0,1,0,0|2,0,1]=4 3677 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [0,0,0,1,0,0|2,0,1]=4 3678 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [0,0,0,1,0,0|2,0,1]=4 3679 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [0,0,0,1,0,0|2,0,1]=4 3680 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [0,0,0,1,0,0|2,0,1]=4 3681 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [0,0,0,1,0,0|2,0,1]=4 3682 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [0,0,0,1,0,0|2,0,1]=4 3683 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [0,0,0,1,0,0|2,0,1]=4 3684 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [0,0,0,1,0,0|2,0,1]=4 3685 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [0,0,0,1,0,0|2,0,1]=4 3686 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [0,0,0,1,0,0|2,0,1]=4 3687 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [0,0,0,1,0,0|2,0,1]=4 3688 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [0,0,0,1,0,0|2,0,1]=4 3689 B9R1.12 CCOCC1CC=CC1 34a_100000688395_100000210202 [0,0,0,1,0,0|3,0,0]=4 3690 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,0,0,1,0,0|1,0,1]=3 3691 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,0,0,1,0,0|1,0,1]=3 3692 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,0,0,1,0,0|1,0,1]=3 3693 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,0,0,1,0,0|2,0,1]=4 3694 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,0,0,1,0,0|2,0,1]=4 3695 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [0,0,0,1,0,0|2,0,1]=4 3696 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [0,0,0,1,0,0|2,0,1]=4 3697 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [0,0,0,1,0,0|2,0,1]=4 3698 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [0,0,0,1,0,0|1,0,2]=4 3699 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [0,0,0,1,0,0|2,0,1]=4 3700 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [0,0,0,1,0,0|2,0,1]=4 3701 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [0,0,0,1,0,0|1,1,1]=4 3702 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [0,0,0,1,0,0|1,1,1]=4 3703 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [0,0,0,1,0,0|2,0,1]=4 3704 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [0,0,0,1,0,0|2,0,1]=4 3705 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [0,0,0,1,0,0|3,0,0]=4 3706 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [0,0,0,1,0,0|3,0,0]=4 3707 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [0,0,0,1,0,0|3,0,0]=4 3708 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [0,0,0,1,0,0|3,0,0]=4 3709 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [0,0,0,1,0,0|3,0,0]=4 3710 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [0,0,0,1,0,0|3,0,0]=4 3711 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [0,0,0,1,0,0|3,0,0]=4 3712 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [0,0,0,1,0,0|3,0,0]=4 3713 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [0,0,0,1,0,0|2,0,1]=4 3714 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,0,0,1,0,0|3,0,0]=4 3715 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,0,0,1,0,0|3,0,0]=4 3716 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [0,0,0,1,0,0|2,0,1]=4 3717 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [0,0,0,1,0,0|1,0,1]=3 3718 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [0,0,0,1,0,0|1,0,1]=3 3719 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [0,0,0,1,0,0|2,0,1]=4 3720 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [0,0,0,1,0,0|2,0,1]=4 3721 B9R1.12 FCOCC1CCNC1 34a_100000748654_100015361967 [0,0,0,1,0,0|2,0,1]=4 3722 B9R1.12 FCOCC1CCOC1 34a_100000740260_100015361967 [0,0,0,1,0,0|2,0,1]=4 3723 B9R1.12 FCOC[C@H]1CCCN1 34a_100000745186_100015361967 [0,0,0,1,0,0|2,0,1]=4 3724 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [0,0,0,1,0,0|1,1,1]=4 3725 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [0,0,0,1,0,0|1,1,1]=4 3726 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [0,0,0,1,0,0|2,0,0]=3 3727 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [0,0,0,1,0,0|2,0,0]=3 3728 B9R1.12 O=CCN[C@@H]1CCOC1 2230a_200015188469_200015260668 [0,0,0,1,0,0|3,0,0]=4 3729 B9R1.12 O=CCN[C@H]1CCOC1 2230a_100015188467_200015260668 [0,0,0,1,0,0|3,0,0]=4 3730 B9R1.12 O=CCN[C@H]1CCOC1 34a_100015188467_200009817547 [0,0,0,1,0,0|3,0,0]=4 3731 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [0,0,0,1,0,0|2,0,0]=3 3732 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [0,0,0,1,0,0|2,0,0]=3 3733 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [0,0,0,1,0,0|3,0,0]=4 3734 B9R1.12 O=CCOC1CCSC1 7a_100011232664_200015260668 [0,0,0,1,0,0|3,0,0]=4 3735 B9R1.12 O=CCO[C@H]1CCOC1 34a_100000717292_200009817547 [0,0,0,1,0,0|3,0,0]=4 3736 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [0,0,0,1,0,0|2,0,0]=3 3737 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [0,0,0,1,0,0|2,0,0]=3 3738 B9R1.12 O=CCSC1CCOC1 62a_200015260668_100000690089 [0,0,0,1,0,0|3,0,0]=4 3739 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [0,0,0,1,0,0|3,0,0]=4 3740 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [0,0,0,1,0,0|3,0,0]=4 3741 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [0,0,0,1,0,0|3,0,0]=4 3742 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [0,0,0,1,0,0|3,0,0]=4 3743 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [0,0,0,1,0,0|2,0,1]=4 3744 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,0,0,1,0,0|3,0,0]=4 3745 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,0,0,1,0,0|3,0,0]=4 3746 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [0,0,0,1,0,0|3,0,0]=4 3747 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [0,0,0,1,0,0|3,0,0]=4 3748 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [0,0,0,1,0,0|2,0,1]=4 3749 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [0,0,0,1,0,0|2,0,1]=4 3750 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [0,0,0,1,0,0|2,0,1]=4 3751 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [0,0,0,1,0,0|2,0,1]=4 3752 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [0,0,0,1,0,0|2,0,1]=4 3753 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,0,0,1,0,0|3,0,0]=4 3754 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,0,0,1,0,0|3,0,0]=4 3755 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,0,0,1,0,0|3,0,0]=4 3756 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,0,0,1,0,0|3,0,0]=4 3757 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [0,0,0,1,0,0|2,0,1]=4 3758 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [0,0,0,1,0,0|2,0,1]=4 3759 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 3760 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 3761 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 3762 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 3763 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 3764 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 3765 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,0,0,1,0,0|2,0,1]=4 3766 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,0,0,1,0,0|2,0,1]=4 3767 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,0,0,1,0,0|2,0,1]=4 3768 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,0,0,1,0,0|2,0,0]=3 3769 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,0,0,1,0,0|2,0,0]=3 3770 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,0,0,1,0,0|3,0,0]=4 3771 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,0,0,1,0,0|3,0,0]=4 3772 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,0,0,1,0,0|3,0,0]=4 3773 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,0,0,1,0,0|3,0,0]=4 3774 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,0,0,1,0,0|2,0,0]=3 3775 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,0,0,1,0,0|2,0,0]=3 3776 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,0,0,1,0,0|2,0,0]=3 3777 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,0,0,1,0,0|2,0,0]=3 3778 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,0,0,1,0,0|2,0,0]=3 3779 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,0,0,1,0,0|3,0,0]=4 3780 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,0,0,1,0,0|3,0,0]=4 3781 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,0,0,1,0,0|2,0,0]=3 3782 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,0,0,1,0,0|2,0,0]=3 3783 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,0,0,1,0,0|3,0,0]=4 3784 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,0,0,1,0,0|3,0,0]=4 3785 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,0,0,1,0,0|2,0,0]=3 3786 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,0,0,1,0,0|2,0,0]=3 3787 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,0,0,1,0,0|3,0,0]=4 3788 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,0,0,1,0,0|2,0,0]=3 3789 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,0,0,1,0,0|2,0,0]=3 3790 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,0,0,1,0,0|2,0,0]=3 3791 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,0,0,1,0,0|2,0,0]=3 3792 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,0,0,1,0,0|3,0,0]=4 3793 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,0,0,1,0,0|3,0,0]=4 3794 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,0,0,1,0,0|2,0,0]=3 3795 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,0,0,1,0,0|2,0,0]=3 3796 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,0,0,1,0,0|2,0,0]=3 3797 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,0,0,1,0,0|2,0,0]=3 3798 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,0,0,1,0,0|2,0,0]=3 3799 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,0,0,1,0,0|2,0,0]=3 3800 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,0,0,1,0,0|2,0,0]=3 3801 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,0,0,1,0,0|2,0,0]=3 3802 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,0,0,1,0,0|3,0,0]=4 3803 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,0,0,1,0,0|3,0,0]=4 3804 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [0,0,0,1,0,0|3,0,0]=4 3805 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [0,0,0,1,0,0|3,0,0]=4 3806 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [0,0,0,1,0,0|2,0,0]=3 3807 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [0,0,0,1,0,0|2,0,0]=3 3808 B9R1.17 C/C=C/CNC1CCC1 34a_100000749019_100102629194 [0,0,0,1,0,0|3,0,0]=4 3809 B9R1.17 C/C=C/COC1CCC1 34a_100000748187_100102629194 [0,0,0,1,0,0|3,0,0]=4 3810 B9R1.17 C/C=C/COC1CCC1 34a_100016270725_100000749161 [0,0,0,1,0,0|3,0,0]=4 3811 B9R1.17 C/C=C/CSC1CCC1 62a_100102629194_100000749161 [0,0,0,1,0,0|3,0,0]=4 3812 B9R1.17 C=CCCCN1CCC1 269982a_100000754969_100000757094 [0,0,0,1,0,0|3,0,0]=4 3813 B9R1.17 C=CCCNC1CCC1 2230a_100000749019_100000754431 [0,0,0,1,0,0|3,0,0]=4 3814 B9R1.17 C=CCCNC1CCC1 270004a_100015191253_100000241760 [0,0,0,1,0,0|3,0,0]=4 3815 B9R1.17 C=CCCNC1CCC1 34a_100000749019_100000754431 [0,0,0,1,0,0|3,0,0]=4 3816 B9R1.17 C=CCCOC1CCC1 34a_100000748187_100000754431 [0,0,0,1,0,0|3,0,0]=4 3817 B9R1.17 C=CCCOC1CCC1 34a_100011205117_100000749161 [0,0,0,1,0,0|3,0,0]=4 3818 B9R1.17 C=CCCSC1CCC1 62a_100000754431_100000749161 [0,0,0,1,0,0|3,0,0]=4 3819 B9R1.17 C=CCNCC1CCC1 2230a_100000738700_100000210623 [0,0,0,1,0,0|3,0,0]=4 3820 B9R1.17 C=CCNCC1CCC1 2230a_100020586998_100000763275 [0,0,0,1,0,0|3,0,0]=4 3821 B9R1.17 C=CCNCC1CCC1 34a_100000738700_100015514636 [0,0,0,1,0,0|3,0,0]=4 3822 B9R1.17 C=CCOCC1CCC1 34a_100000760304_100015514636 [0,0,0,1,0,0|3,0,0]=4 3823 B9R1.17 C=CCOCC1CCC1 34a_200000210373_100000763275 [0,0,0,1,0,0|3,0,0]=4 3824 B9R1.17 C=CCSCC1CCC1 62a_100000210623_100000763275 [0,0,0,1,0,0|3,0,0]=4 3825 B9R1.17 C=CCSCC1CCC1 62a_100000763275_100000210623 [0,0,0,1,0,0|3,0,0]=4 3826 B9R1.17 C=COCCN1CCC1 269982a_100000754969_100000039644 [0,0,0,1,0,0|2,0,0]=3 3827 B9R1.17 CC=CCNC1CCC1 2230a_100000749019_100000070051 [0,0,0,1,0,0|3,0,0]=4 3828 B9R1.17 CC=CCNC1CCC1 34a_100000749019_100000070051 [0,0,0,1,0,0|3,0,0]=4 3829 B9R1.17 CC=CCOC1CCC1 34a_100000748187_100000070051 [0,0,0,1,0,0|3,0,0]=4 3830 B9R1.17 CC=CCSC1CCC1 62a_100000070051_100000749161 [0,0,0,1,0,0|3,0,0]=4 3831 B9R1.17 CC=NNCC1CCC1 4a_200020586977_200000210099 [0,0,0,1,0,0|3,0,0]=4 3832 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,0,0,1,0,0|2,0,1]=4 3833 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,0,0,1,0,0|2,0,1]=4 3834 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,0,0,1,0,0|2,0,1]=4 3835 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,0,0,1,0,0|2,0,1]=4 3836 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,0,0,1,0,0|2,0,1]=4 3837 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,0,0,1,0,0|2,0,1]=4 3838 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [0,0,0,1,0,0|2,0,1]=4 3839 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [0,0,0,1,0,0|2,0,1]=4 3840 B9R1.17 CCOCSC1CCC1 62a_100000739092_100000749161 [0,0,0,1,0,0|2,0,1]=4 3841 B9R1.17 FCOCCC1COC1 34a_100009855314_100015361967 [0,0,0,1,0,0|2,0,1]=4 3842 B9R1.17 O=CCCCN1CCC1 269982a_100000754969_200011292268 [0,0,0,1,0,0|2,0,0]=3 3843 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [0,0,0,1,0,0|2,0,0]=3 3844 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [0,0,0,1,0,0|2,0,0]=3 3845 B9R1.17 O=CCNCC1COC1 2230a_100015281925_200015260668 [0,0,0,1,0,0|3,0,0]=4 3846 B9R1.17 O=CCNCC1COC1 34a_100015281925_200009817547 [0,0,0,1,0,0|3,0,0]=4 3847 B9R1.17 O=CCNC[C@@H]1CCO1 2230a_100020831831_200015260668 [0,0,0,1,0,0|3,0,0]=4 3848 B9R1.17 O=CCNC[C@@H]1CCO1 34a_100020831831_200009817547 [0,0,0,1,0,0|3,0,0]=4 3849 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [0,0,0,1,0,0|2,0,0]=3 3850 B9R1.17 O=CCOCC1CCO1 34a_100000039022_200009817547 [0,0,0,1,0,0|3,0,0]=4 3851 B9R1.17 O=CCOCC1CNC1 34a_100016987283_200009817547 [0,0,0,1,0,0|3,0,0]=4 3852 B9R1.17 O=CCOCC1COC1 34a_100000060846_200009817547 [0,0,0,1,0,0|3,0,0]=4 3853 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [0,0,0,1,0,0|2,0,0]=3 3854 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [0,0,0,1,0,0|2,0,0]=3 3855 B9R1.17 O=CCSCC1CCO1 62a_100000103362_200015260668 [0,0,0,1,0,0|3,0,0]=4 3856 B9R1.17 O=CCSCC1CCO1 62a_200015260668_100000103362 [0,0,0,1,0,0|3,0,0]=4 3857 B9R1.17 O=CCSCC1COC1 62a_100010264016_200015260668 [0,0,0,1,0,0|3,0,0]=4 3858 B9R1.17 O=CCSCC1COC1 62a_200015260668_100010264016 [0,0,0,1,0,0|3,0,0]=4 3859 B9R1.33 C=CCN1CCC[C@@H]1C 2230a_100020605311_100000210623 [0,0,0,1,0,0|3,0,0]=4 3860 B9R1.33 C=CCN1CCC[C@@H]1C 269982a_100020605311_100000210623 [0,0,0,1,0,0|3,0,0]=4 3861 B9R1.33 C=CCN1CCC[C@H]1C 2230a_100015189458_100000210623 [0,0,0,1,0,0|3,0,0]=4 3862 B9R1.33 C=CCN1CCC[C@H]1C 269982a_100015189458_100000210623 [0,0,0,1,0,0|3,0,0]=4 3863 B9R1.33 C=CCN1CCC[C@H]1C 34a_100015189458_100015514636 [0,0,0,1,0,0|3,0,0]=4 3864 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [0,0,0,1,0,0|1,0,1]=3 3865 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [0,0,0,1,0,0|1,0,1]=3 3866 B9R1.33 CC1SCCN1CC=O 2230a_200011216479_200015260668 [0,0,0,1,0,0|3,0,0]=4 3867 B9R1.33 CC1SCCN1CC=O 269982a_200011216479_200015260668 [0,0,0,1,0,0|3,0,0]=4 3868 B9R1.33 CC1SCCN1CC=O 34a_200011216479_200009817547 [0,0,0,1,0,0|3,0,0]=4 3869 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,0,0,1,0,0|2,0,0]=3 3870 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,0,0,1,0,0|2,0,1]=4 3871 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,0,0,1,0,0|2,0,0]=3 3872 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,0,0,1,0,0|2,0,0]=3 3873 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,0,1,0,0|1,0,0]=2 3874 B9R1.33 CCNC1CCOC1C 270004a_100015525214_100000691750 [0,0,0,1,0,0|2,0,1]=4 3875 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,0,0,1,0,0|3,0,0]=4 3876 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,0,0,1,0,0|3,0,0]=4 3877 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,0,0,1,0,0|2,0,0]=3 3878 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,0,0,1,0,0|2,0,0]=3 3879 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,0,0,1,0,0|1,0,1]=3 3880 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,0,0,1,0,0|1,0,1]=3 3881 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,0,0,1,0,0|1,0,0]=2 3882 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,0,0,1,0,0|2,0,1]=4 3883 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,0,0,1,0,0|2,0,1]=4 3884 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,0,0,1,0,0|2,0,0]=3 3885 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [0,0,0,1,0,0|2,0,1]=4 3886 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,0,0,1,0,0|2,0,0]=3 3887 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,0,0,1,0,0|2,0,0]=3 3888 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,0,0,1,0,0|1,0,0]=2 3889 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,0,0,1,0,0|1,0,0]=2 3890 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,0,0,1,0,0|2,0,0]=3 3891 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,0,0,1,0,0|3,0,0]=4 3892 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,0,0,1,0,0|3,0,0]=4 3893 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [0,0,0,1,0,0|2,0,0]=3 3894 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [0,0,0,1,0,0|2,0,0]=3 3895 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [0,0,0,1,0,0|2,0,0]=3 3896 B9R1.33 C[C@@H]1CNC[C@@H]1OCF 34a_200015306588_100015361967 [0,0,0,1,0,0|2,0,1]=4 3897 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [0,0,0,1,0,0|2,0,0]=3 3898 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [0,0,0,1,0,0|2,0,0]=3 3899 B9R1.33 FCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015361967 [0,0,0,1,0,0|2,0,1]=4 3900 B9R1.33 N[C@H]1CCC[C@@H]1OCF 34a_100000748460_100015361967 [0,0,0,1,0,0|2,0,1]=4 3901 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,0,0,1,0,0|3,0,0]=4 3902 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [0,0,0,1,0,0|3,0,0]=4 3903 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [0,0,0,1,0,0|3,0,0]=4 3904 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [0,0,0,1,0,0|3,0,0]=4 3905 B9R1.33 O=C1NCC[C@@H]1OCF 34a_100000688343_100015361967 [0,0,0,1,0,0|3,0,0]=4 3906 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,0,0,1,0,0|2,0,0]=3 3907 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,0,0,1,0,0|2,0,0]=3 3908 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,0,0,1,0,0|2,0,0]=3 3909 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,0,0,1,0,0|3,0,0]=4 3910 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,0,0,1,0,0|3,0,0]=4 3911 B9R1.39 C/C=C/CN1CCC1C 269982a_100000755817_100102629194 [0,0,0,1,0,0|3,0,0]=4 3912 B9R1.39 C/C=C/CN1CCC1C 34a_100000755817_100102629194 [0,0,0,1,0,0|3,0,0]=4 3913 B9R1.39 C=CCCN1CCC1C 269982a_100000755817_100000754431 [0,0,0,1,0,0|3,0,0]=4 3914 B9R1.39 C=CCCN1CCC1C 34a_100000755817_100000754431 [0,0,0,1,0,0|3,0,0]=4 3915 B9R1.39 CC=CCN1CCC1C 34a_100000755817_100000070051 [0,0,0,1,0,0|3,0,0]=4 3916 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|2,0,0]=3 3917 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|2,0,0]=3 3918 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|2,0,0]=3 3919 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [0,0,0,1,0,0|2,0,1]=4 3920 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|2,0,0]=3 3921 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|2,0,0]=3 3922 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,0,0,1,0,0|3,0,0]=4 3923 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,0,0,1,0,0|3,0,0]=4 3924 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|2,0,0]=3 3925 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|2,0,0]=3 3926 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,0,0,1,0,0|3,0,0]=4 3927 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,0,0,1,0,0|3,0,0]=4 3928 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,0,0,1,0,0|3,0,0]=4 3929 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,0,0,1,0,0|3,0,0]=4 3930 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,0,0,1,0,0|3,0,0]=4 3931 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,0,0,1,0,0|3,0,0]=4 3932 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,0,0,1,0,0|3,0,0]=4 3933 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,0,0,1,0,0|3,0,0]=4 3934 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,0,1,0,0|3,0,0]=4 3935 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,0,1,0,0|3,0,0]=4 3936 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|2,0,0]=3 3937 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|2,0,0]=3 3938 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 3939 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 3940 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 3941 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 3942 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 3943 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 3944 B9R1.83 C/C=C/CCOC1CC1 34a_100016278192_100000211595 [0,0,0,1,0,0|3,0,0]=4 3945 B9R1.83 C/C=C/CNCC1CC1 34a_100000735609_100102629194 [0,0,0,1,0,0|3,0,0]=4 3946 B9R1.83 C/C=C/COCC1CC1 34a_100000211283_100102629194 [0,0,0,1,0,0|3,0,0]=4 3947 B9R1.83 C/C=C/COCC1CC1 34a_100016270725_100000742324 [0,0,0,1,0,0|3,0,0]=4 3948 B9R1.83 C/C=C/CSCC1CC1 62a_100000756562_100102629194 [0,0,0,1,0,0|3,0,0]=4 3949 B9R1.83 C/C=C/CSCC1CC1 62a_100102629194_100000742324 [0,0,0,1,0,0|3,0,0]=4 3950 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [0,0,0,1,0,0|3,0,0]=4 3951 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [0,0,0,1,0,0|3,0,0]=4 3952 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [0,0,0,1,0,0|3,0,0]=4 3953 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [0,0,0,1,0,0|3,0,0]=4 3954 B9R1.83 C=CCCNCC1CC1 2230a_100000735609_100000754431 [0,0,0,1,0,0|3,0,0]=4 3955 B9R1.83 C=CCCNCC1CC1 2230a_100015191253_100000742324 [0,0,0,1,0,0|3,0,0]=4 3956 B9R1.83 C=CCCNCC1CC1 269862a_100015191253_100000741477 [0,0,0,1,0,0|3,0,0]=4 3957 B9R1.83 C=CCCNCC1CC1 34a_100000735609_100000754431 [0,0,0,1,0,0|3,0,0]=4 3958 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [0,0,0,1,0,0|3,0,0]=4 3959 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [0,0,0,1,0,0|3,0,0]=4 3960 B9R1.83 C=CCCSCC1CC1 62a_100000754431_100000742324 [0,0,0,1,0,0|3,0,0]=4 3961 B9R1.83 C=CCCSCC1CC1 62a_100000756562_100000754431 [0,0,0,1,0,0|3,0,0]=4 3962 B9R1.83 C=CCNCCC1CC1 2230a_100020586998_100000694398 [0,0,0,1,0,0|3,0,0]=4 3963 B9R1.83 C=CCNCCC1CC1 34a_100000764129_100015514636 [0,0,0,1,0,0|3,0,0]=4 3964 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [0,0,0,1,0,0|3,0,0]=4 3965 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [0,0,0,1,0,0|3,0,0]=4 3966 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [0,0,0,1,0,0|3,0,0]=4 3967 B9R1.83 C=CCSCCC1CC1 62a_100000210623_100000764125 [0,0,0,1,0,0|3,0,0]=4 3968 B9R1.83 C=CCSCCC1CC1 62a_100000764125_100000210623 [0,0,0,1,0,0|3,0,0]=4 3969 B9R1.83 C=COCCNC1CC1 34a_100000212008_100000039644 [0,0,0,1,0,0|2,0,0]=3 3970 B9R1.83 C=COCCOC1CC1 34a_100000033082_100000211595 [0,0,0,1,0,0|2,0,0]=3 3971 B9R1.83 C=COCCSC1CC1 62a_100000039644_100000211595 [0,0,0,1,0,0|2,0,0]=3 3972 B9R1.83 CC=CCNCC1CC1 2230a_100000735609_100000070051 [0,0,0,1,0,0|3,0,0]=4 3973 B9R1.83 CC=CCNCC1CC1 34a_100000735609_100000070051 [0,0,0,1,0,0|3,0,0]=4 3974 B9R1.83 CC=CCOCC1CC1 34a_100000211283_100000070051 [0,0,0,1,0,0|3,0,0]=4 3975 B9R1.83 CC=CCSCC1CC1 62a_100000070051_100000742324 [0,0,0,1,0,0|3,0,0]=4 3976 B9R1.83 CC=CCSCC1CC1 62a_100000756562_100000070051 [0,0,0,1,0,0|3,0,0]=4 3977 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [0,0,0,1,0,0|2,0,1]=4 3978 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [0,0,0,1,0,0|2,0,1]=4 3979 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [0,0,0,1,0,0|2,0,1]=4 3980 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [0,0,0,1,0,0|2,0,1]=4 3981 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [0,0,0,1,0,0|2,0,1]=4 3982 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [0,0,0,1,0,0|2,0,1]=4 3983 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [0,0,0,1,0,0|2,0,1]=4 3984 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [0,0,0,1,0,0|2,0,1]=4 3985 B9R1.83 FCOCCNC1CC1 34a_100000738766_100015361967 [0,0,0,1,0,0|2,0,1]=4 3986 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [0,0,0,1,0,0|2,0,0]=3 3987 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [0,0,0,1,0,0|2,0,0]=3 3988 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [0,0,0,1,0,0|2,0,0]=3 3989 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [0,0,0,1,0,0|2,0,0]=3 3990 B9R1.83 O=CCOCC[C@@H]1CO1 34a_100009820653_200009817547 [0,0,0,1,0,0|3,0,0]=4 3991 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [0,0,0,1,0,0|2,0,0]=3 3992 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [0,0,0,1,0,0|2,0,0]=3 3993 B9R1.83 O=CCSCCC1CO1 62a_100000732470_200015260668 [0,0,0,1,0,0|3,0,0]=4 3994 B9R1.83 O=CCSCCC1CO1 62a_200015260668_100000732470 [0,0,0,1,0,0|3,0,0]=4 3995 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,0,0,1,0,0|2,0,1]=4 3996 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,0,0,1,0,0|2,0,1]=4 3997 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,0,0,1,0,0|2,0,1]=4 3998 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,0,0,1,0,0|2,0,1]=4 3999 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,0,0,1,0,0|2,0,1]=4 4000 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,0,0,1,0,0|2,0,1]=4 4001 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,0,0,1,0,0|3,0,0]=4 4002 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,0,0,1,0,0|3,0,0]=4 4003 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,0,0,1,0,0|3,0,0]=4 4004 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,0,0,1,0,0|3,0,0]=4 4005 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,0,0,1,0,0|3,0,0]=4 4006 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,0,0,1,0,0|3,0,0]=4 4007 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,0,0,1,0,0|3,0,0]=4 4008 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,0,0,1,0,0|3,0,0]=4 4009 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,0,0,1,0,0|3,0,0]=4 4010 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,0,0,1,0,0|2,0,1]=4 4011 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,0,0,1,0,0|2,0,1]=4 4012 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,0,0,1,0,0|3,0,0]=4 4013 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,0,0,1,0,0|3,0,0]=4 4014 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,0,0,1,0,0|3,0,0]=4 4015 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,0,0,1,0,0|3,0,0]=4 4016 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,0,0,1,0,0|3,0,0]=4 4017 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,0,0,1,0,0|3,0,0]=4 4018 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 4019 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 4020 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 4021 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 4022 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 4023 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 4024 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 4025 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 4026 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|1,0,1]=4 4027 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 4028 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 4029 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 4030 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,1]=4 4031 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,1]=4 4032 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,1]=4 4033 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,1]=4 4034 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,1]=4 4035 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,1]=4 4036 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,1]=4 4037 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,1]=4 4038 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,1]=4 4039 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,1]=4 4040 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,1]=4 4041 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,1]=4 4042 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,1]=4 4043 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,1]=4 4044 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,1]=4 4045 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 4046 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [2,0,0,0,0,0|2,0,0]=4 4047 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 4048 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|2,0,0]=4 4049 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|2,0,0]=4 4050 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|2,0,0]=4 4051 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|2,0,0]=4 4052 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|2,0,0]=4 4053 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|2,0,0]=4 4054 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|2,0,0]=4 4055 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 4056 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 4057 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 4058 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 4059 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 4060 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|0,0,1]=3 4061 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|0,0,1]=3 4062 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|0,0,1]=3 4063 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|0,0,1]=3 4064 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|0,0,1]=3 4065 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|0,1,1]=4 4066 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|0,1,1]=4 4067 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|0,1,1]=4 4068 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|0,1,1]=4 4069 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 4070 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 4071 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 4072 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 4073 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 4074 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,1]=4 4075 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 4076 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 4077 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 4078 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,1]=4 4079 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,1]=4 4080 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 4081 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 4082 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 4083 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,0]=3 4084 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,0]=3 4085 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 4086 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 4087 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,1]=4 4088 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|2,0,0]=4 4089 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|2,0,0]=4 4090 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,0]=3 4091 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 4092 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 4093 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,1]=4 4094 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|2,0,0]=4 4095 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|2,0,0]=4 4096 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,0]=3 4097 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,0]=3 4098 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|1,0,1]=4 4099 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|1,0,1]=4 4100 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 4101 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 4102 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 4103 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,0]=3 4104 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|1,0,1]=4 4105 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|1,0,1]=4 4106 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 4107 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 4108 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 4109 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 4110 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 4111 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,0]=3 4112 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 4113 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|1,0,1]=4 4114 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|1,0,1]=4 4115 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|1,0,1]=4 4116 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 4117 B6R0.6 CCOCCON 34a_100000700252_100000210202 [2,0,0,0,0,0|2,0,0]=4 4118 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 4119 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 4120 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 4121 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 4122 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,0]=3 4123 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,0]=3 4124 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|1,0,1]=4 4125 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|1,0,1]=4 4126 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|1,0,1]=4 4127 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|1,0,1]=4 4128 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|1,0,1]=4 4129 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|1,0,1]=4 4130 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|1,0,1]=4 4131 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 4132 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 4133 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 4134 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 4135 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 4136 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 4137 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 4138 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 4139 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,0]=3 4140 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 4141 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|1,0,1]=4 4142 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|1,0,1]=4 4143 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|1,0,1]=4 4144 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|1,0,1]=4 4145 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|1,0,1]=4 4146 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|1,0,1]=4 4147 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|1,0,1]=4 4148 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 4149 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 4150 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|1,0,1]=4 4151 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|1,0,1]=4 4152 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|1,0,1]=4 4153 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|1,0,1]=4 4154 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 4155 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,0]=3 4156 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|1,0,1]=4 4157 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|1,0,1]=4 4158 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|1,0,1]=4 4159 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|1,0,1]=4 4160 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|1,0,1]=4 4161 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|1,0,1]=4 4162 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|1,0,1]=4 4163 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|1,0,1]=4 4164 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|1,0,1]=4 4165 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|1,0,1]=4 4166 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [2,0,0,0,0,0|2,0,0]=4 4167 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 4168 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 4169 B6R0.6 COCSCCO 62a_100000211926_100000766300 [2,0,0,0,0,0|2,0,0]=4 4170 B6R0.6 COCSCCO 62a_100000766300_100000211926 [2,0,0,0,0,0|2,0,0]=4 4171 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 4172 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 4173 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|2,0,0]=4 4174 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|2,0,0]=4 4175 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 4176 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,0]=3 4177 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|1,0,1]=4 4178 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|1,0,1]=4 4179 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|2,0,0]=4 4180 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|2,0,0]=4 4181 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 4182 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 4183 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [2,0,0,0,0,0|2,0,0]=4 4184 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [2,0,0,0,0,0|2,0,0]=4 4185 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 4186 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [2,0,0,0,0,0|2,0,0]=4 4187 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 4188 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 4189 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 4190 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 4191 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 4192 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 4193 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 4194 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 4195 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [2,0,0,0,0,0|2,0,0]=4 4196 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [2,0,0,0,0,0|2,0,0]=4 4197 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [2,0,0,0,0,0|2,0,0]=4 4198 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [2,0,0,0,0,0|2,0,0]=4 4199 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [2,0,0,0,0,0|2,0,0]=4 4200 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|2,0,0]=4 4201 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|2,0,0]=4 4202 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 4203 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [2,0,0,0,0,0|2,0,0]=4 4204 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [2,0,0,0,0,0|2,0,0]=4 4205 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 4206 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 4207 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 4208 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|1,0,1]=4 4209 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 4210 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 4211 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|1,0,1]=4 4212 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|1,0,1]=4 4213 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|1,0,1]=4 4214 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 4215 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 4216 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 4217 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|2,0,0]=4 4218 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|2,0,0]=4 4219 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 4220 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,0]=3 4221 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|1,0,1]=4 4222 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|1,0,1]=4 4223 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [1,1,0,0,0,0|2,0,0]=4 4224 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [1,1,0,0,0,0|2,0,0]=4 4225 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|1,0,1]=4 4226 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|1,0,1]=4 4227 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [1,1,0,0,0,0|2,0,0]=4 4228 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,1,0,0,0,0|2,0,0]=4 4229 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,1,0,0,0,0|2,0,0]=4 4230 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [1,1,0,0,0,0|2,0,0]=4 4231 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [1,1,0,0,0,0|2,0,0]=4 4232 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [1,1,0,0,0,0|2,0,0]=4 4233 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [1,1,0,0,0,0|2,0,0]=4 4234 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [1,1,0,0,0,0|2,0,0]=4 4235 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [1,1,0,0,0,0|2,0,0]=4 4236 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [1,1,0,0,0,0|2,0,0]=4 4237 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [1,1,0,0,0,0|2,0,0]=4 4238 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [1,1,0,0,0,0|2,0,0]=4 4239 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [1,1,0,0,0,0|2,0,0]=4 4240 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [1,1,0,0,0,0|2,0,0]=4 4241 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [1,1,0,0,0,0|2,0,0]=4 4242 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [1,1,0,0,0,0|2,0,0]=4 4243 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [1,1,0,0,0,0|2,0,0]=4 4244 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [1,1,0,0,0,0|2,0,0]=4 4245 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [1,1,0,0,0,0|2,0,0]=4 4246 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [1,1,0,0,0,0|2,0,0]=4 4247 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [1,1,0,0,0,0|2,0,0]=4 4248 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [1,1,0,0,0,0|2,0,0]=4 4249 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [1,1,0,0,0,0|2,0,0]=4 4250 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [1,1,0,0,0,0|2,0,0]=4 4251 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [1,1,0,0,0,0|2,0,0]=4 4252 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|0,0,2]=4 4253 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|0,0,2]=4 4254 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|0,0,1]=3 4255 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|0,0,1]=3 4256 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|0,0,1]=3 4257 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|0,0,1]=3 4258 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 4259 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,1]=4 4260 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 4261 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [1,1,0,0,0,0|1,0,1]=4 4262 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [1,1,0,0,0,0|1,0,1]=4 4263 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [1,1,0,0,0,0|1,0,0]=3 4264 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [1,1,0,0,0,0|1,0,1]=4 4265 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [1,1,0,0,0,0|1,0,0]=3 4266 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [1,1,0,0,0,0|1,0,0]=3 4267 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [1,1,0,0,0,0|1,0,0]=3 4268 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [1,1,0,0,0,0|1,0,0]=3 4269 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [1,1,0,0,0,0|1,0,1]=4 4270 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [1,1,0,0,0,0|1,0,1]=4 4271 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|0,0,2]=4 4272 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|0,0,1]=3 4273 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|0,0,1]=3 4274 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|0,0,1]=3 4275 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|0,0,1]=3 4276 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 4277 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,1]=4 4278 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 4279 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,1,0,0,0,0|1,0,1]=4 4280 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,1,0,0,0,0|1,0,1]=4 4281 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|1,0,0]=3 4282 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|1,0,0]=3 4283 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [1,1,0,0,0,0|1,0,1]=4 4284 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [1,1,0,0,0,0|1,0,1]=4 4285 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|0,0,1]=3 4286 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|0,0,1]=3 4287 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [1,1,0,0,0,0|1,0,1]=4 4288 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [1,1,0,0,0,0|1,0,1]=4 4289 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [1,1,0,0,0,0|1,0,1]=4 4290 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [1,1,0,0,0,0|1,0,1]=4 4291 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [1,1,0,0,0,0|1,0,1]=4 4292 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [1,1,0,0,0,0|1,0,1]=4 4293 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [1,1,0,0,0,0|1,0,1]=4 4294 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [1,1,0,0,0,0|1,0,1]=4 4295 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [1,1,0,0,0,0|1,0,1]=4 4296 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [1,1,0,0,0,0|1,0,1]=4 4297 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,1,0,0,0,0|1,0,1]=4 4298 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,1,0,0,0,0|1,0,1]=4 4299 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [1,1,0,0,0,0|1,0,1]=4 4300 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [1,1,0,0,0,0|1,0,1]=4 4301 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|0,0,1]=3 4302 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|0,0,1]=3 4303 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,1]=4 4304 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [1,1,0,0,0,0|1,0,1]=4 4305 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [1,1,0,0,0,0|1,0,1]=4 4306 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [1,1,0,0,0,0|1,0,1]=4 4307 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [1,1,0,0,0,0|1,0,1]=4 4308 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|1,0,1]=4 4309 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,1,0,0,0,0|1,0,1]=4 4310 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [1,1,0,0,0,0|1,0,1]=4 4311 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [1,1,0,0,0,0|1,0,1]=4 4312 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 4313 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 4314 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [1,1,0,0,0,0|2,0,0]=4 4315 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [1,1,0,0,0,0|2,0,0]=4 4316 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [1,1,0,0,0,0|2,0,0]=4 4317 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [1,1,0,0,0,0|2,0,0]=4 4318 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [1,1,0,0,0,0|2,0,0]=4 4319 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [1,1,0,0,0,0|2,0,0]=4 4320 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|1,0,1]=4 4321 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 4322 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 4323 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|1,0,1]=4 4324 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [1,1,0,0,0,0|2,0,0]=4 4325 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|2,0,0]=4 4326 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|1,0,1]=4 4327 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [1,1,0,0,0,0|2,0,0]=4 4328 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [1,1,0,0,0,0|2,0,0]=4 4329 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [1,1,0,0,0,0|2,0,0]=4 4330 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [1,1,0,0,0,0|2,0,0]=4 4331 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,1,0,0,0,0|2,0,0]=4 4332 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,1,0,0,0,0|2,0,0]=4 4333 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,1,0,0,0,0|2,0,0]=4 4334 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|1,0,1]=4 4335 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|1,0,1]=4 4336 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [1,1,0,0,0,0|2,0,0]=4 4337 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [1,1,0,0,0,0|2,0,0]=4 4338 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [1,1,0,0,0,0|2,0,0]=4 4339 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [1,1,0,0,0,0|2,0,0]=4 4340 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [1,1,0,0,0,0|2,0,0]=4 4341 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [1,1,0,0,0,0|2,0,0]=4 4342 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [1,1,0,0,0,0|2,0,0]=4 4343 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [1,1,0,0,0,0|2,0,0]=4 4344 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [1,1,0,0,0,0|2,0,0]=4 4345 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [1,1,0,0,0,0|2,0,0]=4 4346 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [1,1,0,0,0,0|2,0,0]=4 4347 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [1,1,0,0,0,0|2,0,0]=4 4348 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [1,1,0,0,0,0|2,0,0]=4 4349 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [1,1,0,0,0,0|2,0,0]=4 4350 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [1,1,0,0,0,0|2,0,0]=4 4351 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [1,1,0,0,0,0|2,0,0]=4 4352 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [1,1,0,0,0,0|2,0,0]=4 4353 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [1,1,0,0,0,0|2,0,0]=4 4354 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [1,1,0,0,0,0|2,0,0]=4 4355 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [1,1,0,0,0,0|2,0,0]=4 4356 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [1,1,0,0,0,0|2,0,0]=4 4357 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [1,1,0,0,0,0|2,0,0]=4 4358 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [1,1,0,0,0,0|2,0,0]=4 4359 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [1,1,0,0,0,0|2,0,0]=4 4360 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [1,1,0,0,0,0|1,0,1]=4 4361 B8R0.6 C=COCCN(C)CC 2230a_100000225621_100000039644 [1,1,0,0,0,0|2,0,0]=4 4362 B8R0.6 C=COCCN(C)CC 269982a_100000225621_100000039644 [1,1,0,0,0,0|2,0,0]=4 4363 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|2,0,0]=4 4364 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 4365 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 4366 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|0,0,2]=4 4367 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|0,0,2]=4 4368 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,1,0,0,0,0|1,0,1]=4 4369 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,1,0,0,0,0|1,0,1]=4 4370 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,1,0,0,0,0|1,0,1]=4 4371 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|0,0,1]=3 4372 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|0,0,1]=3 4373 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [1,1,0,0,0,0|1,0,1]=4 4374 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,1,0,0,0,0|1,0,0]=3 4375 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [1,1,0,0,0,0|1,0,1]=4 4376 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,1,0,0,0,0|1,0,0]=3 4377 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,1,0,0,0,0|1,0,0]=3 4378 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [1,1,0,0,0,0|1,0,1]=4 4379 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [1,1,0,0,0,0|1,0,1]=4 4380 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [1,1,0,0,0,0|1,0,1]=4 4381 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [1,1,0,0,0,0|1,0,1]=4 4382 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [1,1,0,0,0,0|1,0,1]=4 4383 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [1,1,0,0,0,0|1,0,1]=4 4384 B8R0.6 CCC(C)OCCON 34a_100000700252_100011215416 [1,1,0,0,0,0|2,0,0]=4 4385 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [1,1,0,0,0,0|1,0,1]=4 4386 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [1,1,0,0,0,0|1,0,1]=4 4387 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,1,0,0,0,0|1,0,0]=3 4388 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [1,1,0,0,0,0|1,0,1]=4 4389 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [1,1,0,0,0,0|1,0,0]=3 4390 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [1,1,0,0,0,0|1,0,0]=3 4391 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [1,1,0,0,0,0|1,0,1]=4 4392 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [1,1,0,0,0,0|1,0,1]=4 4393 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|1,0,1]=4 4394 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 4395 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|1,0,1]=4 4396 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|1,0,1]=4 4397 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 4398 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|1,0,1]=4 4399 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|0,0,1]=3 4400 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|0,0,1]=3 4401 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|0,0,1]=3 4402 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|0,0,1]=3 4403 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|0,0,1]=3 4404 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|0,1,1]=4 4405 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|0,1,1]=4 4406 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|0,1,1]=4 4407 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|0,1,1]=4 4408 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [1,1,0,0,0,0|1,0,1]=4 4409 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [1,1,0,0,0,0|1,0,1]=4 4410 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,1,0,0,0,0|1,0,1]=4 4411 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,1,0,0,0,0|1,0,1]=4 4412 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,1,0,0,0,0|1,0,0]=3 4413 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,1,0,0,0,0|1,0,0]=3 4414 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [1,1,0,0,0,0|1,0,1]=4 4415 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [1,1,0,0,0,0|1,0,1]=4 4416 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [1,1,0,0,0,0|1,0,1]=4 4417 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [1,1,0,0,0,0|1,0,1]=4 4418 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,1]=4 4419 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|1,0,1]=4 4420 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,0,0,0,0|1,0,0]=3 4421 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,1,0,0,0,0|1,0,0]=3 4422 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,1,0,0,0,0|1,0,0]=3 4423 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [1,1,0,0,0,0|1,0,1]=4 4424 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [1,1,0,0,0,0|1,0,1]=4 4425 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [1,1,0,0,0,0|2,0,0]=4 4426 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,1,0,0,0,0|1,0,1]=4 4427 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,1,0,0,0,0|1,0,1]=4 4428 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,1,0,0,0,0|1,0,1]=4 4429 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,1,0,0,0,0|1,0,1]=4 4430 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,1,0,0,0,0|1,0,1]=4 4431 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [1,1,0,0,0,0|2,0,0]=4 4432 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|1,0,1]=4 4433 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,1,0,0,0,0|2,0,0]=4 4434 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,1,0,0,0,0|2,0,0]=4 4435 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 4436 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 4437 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,1,0,0,0,0|2,0,0]=4 4438 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [1,1,0,0,0,0|2,0,0]=4 4439 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,1,0,0,0,0|2,0,0]=4 4440 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,1,0,0,0,0|2,0,0]=4 4441 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [1,1,0,0,0,0|2,0,0]=4 4442 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [1,1,0,0,0,0|2,0,0]=4 4443 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,1,0,0,0,0|2,0,0]=4 4444 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,1,0,0,0,0|2,0,0]=4 4445 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,1,0,0,0,0|0,0,2]=4 4446 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,1,0,0,0,0|0,0,2]=4 4447 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,1,0,0,0,0|0,0,2]=4 4448 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,1,0,0,0,0|2,0,0]=4 4449 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [1,1,0,0,0,0|1,0,1]=4 4450 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|2,0,0]=4 4451 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|2,0,0]=4 4452 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [1,1,0,0,0,0|1,0,1]=4 4453 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [1,1,0,0,0,0|1,0,1]=4 4454 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|2,0,0]=4 4455 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|2,0,0]=4 4456 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|2,0,0]=4 4457 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|2,0,0]=4 4458 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|2,0,0]=4 4459 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|2,0,0]=4 4460 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|2,0,0]=4 4461 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|2,0,0]=4 4462 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|2,0,0]=4 4463 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,1,0,0,0,0|2,0,0]=4 4464 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,1,0,0,0,0|2,0,0]=4 4465 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,1,0,0,0,0|2,0,0]=4 4466 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,1,0,0,0,0|2,0,0]=4 4467 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,1,0,0,0,0|2,0,0]=4 4468 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,1,0,0,0,0|2,0,0]=4 4469 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,1,0,0,0,0|2,0,0]=4 4470 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|0,0,2]=4 4471 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|0,0,2]=4 4472 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|0,0,2]=4 4473 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [1,1,0,0,0,0|2,0,0]=4 4474 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [1,1,0,0,0,0|2,0,0]=4 4475 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [1,1,0,0,0,0|2,0,0]=4 4476 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [1,1,0,0,0,0|2,0,0]=4 4477 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [1,1,0,0,0,0|2,0,0]=4 4478 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [1,1,0,0,0,0|2,0,0]=4 4479 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,1,0,0,0,0|2,0,0]=4 4480 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,1,0,0,0,0|2,0,0]=4 4481 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,1,0,0,0,0|2,0,0]=4 4482 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,1,0,0,0,0|2,0,0]=4 4483 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,1,0,0,0,0|2,0,0]=4 4484 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,1,0,0,0,0|2,0,0]=4 4485 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,1,0,0,0,0|2,0,0]=4 4486 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,1,0,0,0,0|2,0,0]=4 4487 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,1,0,0,0,0|2,0,0]=4 4488 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [1,1,0,0,0,0|2,0,0]=4 4489 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [1,1,0,0,0,0|2,0,0]=4 4490 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [1,1,0,0,0,0|2,0,0]=4 4491 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [1,1,0,0,0,0|2,0,0]=4 4492 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,1,0,0,0,0|2,0,0]=4 4493 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,1,0,0,0,0|2,0,0]=4 4494 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,1,0,0,0,0|2,0,0]=4 4495 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,1,0,0,0,0|2,0,0]=4 4496 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [1,1,0,0,0,0|2,0,0]=4 4497 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [1,1,0,0,0,0|2,0,0]=4 4498 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [1,1,0,0,0,0|2,0,0]=4 4499 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [1,1,0,0,0,0|2,0,0]=4 4500 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,1,0,0,0,0|2,0,0]=4 4501 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [1,1,0,0,0,0|2,0,0]=4 4502 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [1,1,0,0,0,0|2,0,0]=4 4503 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,1,0,0,0,0|2,0,0]=4 4504 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [1,1,0,0,0,0|2,0,0]=4 4505 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [1,1,0,0,0,0|2,0,0]=4 4506 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,1,0,0,0,0|2,0,0]=4 4507 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,1,0,0,0,0|2,0,0]=4 4508 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,1,0,0,0,0|2,0,0]=4 4509 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,1,0,0,0,0|2,0,0]=4 4510 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [1,1,0,0,0,0|2,0,0]=4 4511 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,1,0,0,0,0|2,0,0]=4 4512 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,1,0,0,0,0|2,0,0]=4 4513 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [1,1,0,0,0,0|2,0,0]=4 4514 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [1,1,0,0,0,0|2,0,0]=4 4515 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [1,1,0,0,0,0|2,0,0]=4 4516 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [1,1,0,0,0,0|2,0,0]=4 4517 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,1,0,0,0,0|2,0,0]=4 4518 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [1,1,0,0,0,0|2,0,0]=4 4519 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [1,1,0,0,0,0|2,0,0]=4 4520 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [1,1,0,0,0,0|2,0,0]=4 4521 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,1,0,0,0,0|2,0,0]=4 4522 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,1,0,0,0,0|2,0,0]=4 4523 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [1,1,0,0,0,0|2,0,0]=4 4524 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [1,1,0,0,0,0|2,0,0]=4 4525 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [1,1,0,0,0,0|2,0,0]=4 4526 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [1,1,0,0,0,0|2,0,0]=4 4527 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [1,1,0,0,0,0|2,0,0]=4 4528 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [1,1,0,0,0,0|2,0,0]=4 4529 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,1,0,0,0,0|1,0,1]=4 4530 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,0]=3 4531 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,0]=3 4532 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,0]=3 4533 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,0]=3 4534 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,0]=3 4535 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 4536 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 4537 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|2,0,0]=4 4538 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|2,0,0]=4 4539 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,1,0,0,0,0|1,0,1]=4 4540 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,1,0,0,0,0|1,0,1]=4 4541 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 4542 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 4543 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|2,0,0]=4 4544 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|2,0,0]=4 4545 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 4546 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 4547 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,1,0,0,0,0|1,0,1]=4 4548 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,1,0,0,0,0|1,0,1]=4 4549 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|2,0,0]=4 4550 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|2,0,0]=4 4551 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|2,0,0]=4 4552 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|2,0,0]=4 4553 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,1,0,0,0,0|2,0,0]=4 4554 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|2,0,0]=4 4555 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|2,0,0]=4 4556 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|2,0,0]=4 4557 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|2,0,0]=4 4558 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|2,0,0]=4 4559 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|1,0,0]=3 4560 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|1,0,0]=3 4561 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [1,1,0,0,0,0|2,0,0]=4 4562 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [1,1,0,0,0,0|2,0,0]=4 4563 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [1,1,0,0,0,0|2,0,0]=4 4564 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,1,0,0,0,0|2,0,0]=4 4565 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [1,1,0,0,0,0|2,0,0]=4 4566 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,1,0,0,0,0|2,0,0]=4 4567 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [1,1,0,0,0,0|2,0,0]=4 4568 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [1,1,0,0,0,0|2,0,0]=4 4569 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,1,0,0,0,0|2,0,0]=4 4570 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,1,0,0,0,0|2,0,0]=4 4571 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|1,1,0]=4 4572 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|1,1,0]=4 4573 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,1,0,0,0,0|1,1,0]=4 4574 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,1,0,0,0,0|1,1,0]=4 4575 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [1,1,0,0,0,0|1,0,0]=3 4576 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|0,0,1]=3 4577 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|0,0,1]=3 4578 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|0,1,1]=4 4579 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|0,1,1]=4 4580 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,1,0,0,0,0|1,0,1]=4 4581 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,1,0,0,0,0|1,0,1]=4 4582 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [1,1,0,0,0,0|1,0,0]=3 4583 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [1,1,0,0,0,0|1,0,0]=3 4584 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [1,1,0,0,0,0|1,0,0]=3 4585 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [1,1,0,0,0,0|1,0,0]=3 4586 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,1,0,0,0,0|1,0,1]=4 4587 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [1,1,0,0,0,0|2,0,0]=4 4588 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,1,0,0,0,0|1,0,1]=4 4589 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,1,0,0,0,0|1,0,1]=4 4590 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,1,0,0,0,0|1,0,1]=4 4591 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,1,0,0,0,0|1,0,1]=4 4592 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [1,1,0,0,0,0|1,0,0]=3 4593 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,1,0,0,0,0|1,0,1]=4 4594 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [1,1,0,0,0,0|2,0,0]=4 4595 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [1,1,0,0,0,0|2,0,0]=4 4596 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [1,1,0,0,0,0|1,0,0]=3 4597 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [1,1,0,0,0,0|1,0,0]=3 4598 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,1,0,0,0,0|1,0,0]=3 4599 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,1,0,0,0,0|1,0,0]=3 4600 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,1,0,0,0,0|1,0,0]=3 4601 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [1,1,0,0,0,0|2,0,0]=4 4602 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|0,0,2]=4 4603 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|0,0,2]=4 4604 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|0,0,2]=4 4605 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|0,0,2]=4 4606 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|0,0,2]=4 4607 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|0,0,0]=2 4608 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|0,0,0]=2 4609 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|0,0,0]=2 4610 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|1,0,1]=4 4611 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 4612 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|1,0,1]=4 4613 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 4614 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 4615 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 4616 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 4617 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 4618 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 4619 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,0]=3 4620 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 4621 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|1,0,1]=4 4622 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 4623 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,0,0,0,0|1,0,0]=3 4624 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,0,0,0,0|1,0,0]=3 4625 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,0,0,0,0|1,0,0]=3 4626 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|1,0,0]=3 4627 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|2,0,0]=4 4628 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,0]=3 4629 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,0]=3 4630 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,0]=3 4631 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 4632 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 4633 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,0]=3 4634 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,0,0,0,0|1,0,0]=3 4635 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [1,1,0,0,0,0|2,0,0]=4 4636 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,0]=3 4637 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,0,0,0,0|1,0,0]=3 4638 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,0,0,0,0|1,0,0]=3 4639 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,0]=3 4640 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,0,0,0,0|1,0,0]=3 4641 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,0,0,0,0|1,0,0]=3 4642 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [1,1,0,0,0,0|2,0,0]=4 4643 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,1,0,0,0,0|2,0,0]=4 4644 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,0]=3 4645 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 4646 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 4647 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|1,0,0]=3 4648 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 4649 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 4650 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|1,0,0]=3 4651 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,0]=3 4652 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,0]=3 4653 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,0,0,0,0|1,0,0]=3 4654 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,0,0,0,0|1,0,0]=3 4655 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|1,0,0]=3 4656 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|1,0,0]=3 4657 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,0,0,0,0|1,0,0]=3 4658 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|1,1,0]=4 4659 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|2,0,0]=4 4660 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|2,0,0]=4 4661 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,1,0,0,0,0|2,0,0]=4 4662 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,1,0,0,0,0|2,0,0]=4 4663 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,0]=3 4664 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 4665 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,0]=3 4666 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 4667 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|1,0,0]=3 4668 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 4669 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|1,0,1]=4 4670 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 4671 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 4672 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [1,1,0,0,0,0|2,0,0]=4 4673 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 4674 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|2,0,0]=4 4675 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 4676 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|2,0,0]=4 4677 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|2,0,0]=4 4678 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,1,0,0,0,0|2,0,0]=4 4679 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|1,0,0]=3 4680 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,1,0,0,0,0|1,0,0]=3 4681 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,1,0,0,0,0|1,0,0]=3 4682 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,0,0,0,0|2,0,0]=4 4683 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,1,0,0,0,0|2,0,0]=4 4684 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,1,0,0,0,0|2,0,0]=4 4685 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,1,0,0,0,0|2,0,0]=4 4686 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,1,0,0,0,0|2,0,0]=4 4687 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,0]=3 4688 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,0]=3 4689 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|1,0,0]=3 4690 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|1,0,0]=3 4691 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 4692 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 4693 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 4694 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|2,0,0]=4 4695 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|2,0,0]=4 4696 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|2,0,0]=4 4697 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,1,0,0,0,0|2,0,0]=4 4698 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,1,0,0,0,0|2,0,0]=4 4699 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|1,0,0]=3 4700 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|1,0,0]=3 4701 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,1,0,0,0,0|1,0,0]=3 4702 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,1,0,0,0,0|1,0,0]=3 4703 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,1,0,0,0,0|1,0,0]=3 4704 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,1,0,0,0,0|1,0,0]=3 4705 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [1,1,0,0,0,0|2,0,0]=4 4706 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,0]=3 4707 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,0]=3 4708 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|1,0,0]=3 4709 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 4710 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,1]=4 4711 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 4712 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|2,0,0]=4 4713 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|1,0,0]=3 4714 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|1,0,0]=3 4715 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,1,0,0,0,0|1,1,0]=4 4716 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,1,0,0,0,0|1,1,0]=4 4717 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,1,0,0,0,0|1,1,0]=4 4718 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|1,1,0]=4 4719 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|1,1,0]=4 4720 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|1,1,0]=4 4721 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 4722 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [1,1,0,0,0,0|2,0,0]=4 4723 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 4724 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|2,0,0]=4 4725 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,0]=3 4726 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,0]=3 4727 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 4728 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 4729 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|0,0,1]=3 4730 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|0,0,1]=3 4731 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|0,0,1]=3 4732 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 4733 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 4734 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,1,0,0,0,0|2,0,0]=4 4735 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,1,0,0,0,0|2,0,0]=4 4736 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 4737 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 4738 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|2,0,0]=4 4739 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|2,0,0]=4 4740 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,1,0,0,0,0|1,0,1]=4 4741 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,1,0,0,0,0|1,0,1]=4 4742 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,1,0,0,0,0|1,0,1]=4 4743 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,1,0,0,0,0|1,0,1]=4 4744 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|1,0,0]=3 4745 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,1,0,0,0,0|1,1,0]=4 4746 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|1,0,1]=4 4747 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|1,0,1]=4 4748 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|1,1,0]=4 4749 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,1,0,0,0,0|1,0,1]=4 4750 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,1,0,0,0,0|1,0,1]=4 4751 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,1,0,0,0,0|2,0,0]=4 4752 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,1,0,0,0,0|2,0,0]=4 4753 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|2,0,0]=4 4754 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,1,0,0,0,0|1,0,1]=4 4755 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,1,0,0,0,0|1,0,1]=4 4756 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,1,0,0,0,0|1,0,1]=4 4757 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,1,0,0,0,0|1,0,1]=4 4758 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,1,0,0,0,0|1,0,1]=4 4759 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,1,0,0,0,0|1,0,1]=4 4760 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,1,0,0,0,0|1,0,1]=4 4761 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,1,0,0,0,0|1,0,1]=4 4762 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,1,0,0,0,0|1,0,1]=4 4763 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|2,0,0]=4 4764 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|2,0,0]=4 4765 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,1,0,0,0,0|2,0,0]=4 4766 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,1,0,0,0,0|2,0,0]=4 4767 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|2,0,0]=4 4768 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,1,0,0,0,0|2,0,0]=4 4769 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [1,1,0,0,0,0|1,0,1]=4 4770 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,1,0,0,0,0|1,0,1]=4 4771 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,1,0,0,0,0|1,0,1]=4 4772 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,1,0,0,0,0|1,0,1]=4 4773 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,1,0,0,0,0|1,0,1]=4 4774 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [1,1,0,0,0,0|1,0,1]=4 4775 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,1,0,0,0,0|1,0,1]=4 4776 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [1,1,0,0,0,0|1,0,1]=4 4777 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [1,1,0,0,0,0|1,0,1]=4 4778 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,1,0,0,0,0|1,0,1]=4 4779 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,1,0,0,0,0|2,0,0]=4 4780 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,1,0,0,0,0|2,0,0]=4 4781 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,1,0,0,0,0|2,0,0]=4 4782 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,1,0,0,0,0|2,0,0]=4 4783 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,1,0,0,0,0|1,0,1]=4 4784 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,1,0,0,0,0|1,0,1]=4 4785 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,1,0,0,0,0|1,0,1]=4 4786 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,1,0,0,0,0|1,0,1]=4 4787 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,1,0,0,0,0|1,0,1]=4 4788 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,1,0,0,0,0|1,0,1]=4 4789 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,1,0,0,0,0|1,0,1]=4 4790 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,1,0,0,0,0|1,0,1]=4 4791 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [1,1,0,0,0,0|1,0,1]=4 4792 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|2,0,0]=4 4793 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|2,0,0]=4 4794 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,1,0,0,0,0|2,0,0]=4 4795 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,1,0,0,0,0|2,0,0]=4 4796 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,1,0,0,0,0|1,0,1]=4 4797 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,1,0,0,0,0|1,0,1]=4 4798 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [1,1,0,0,0,0|1,0,1]=4 4799 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [1,1,0,0,0,0|1,0,1]=4 4800 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [1,1,0,0,0,0|2,0,0]=4 4801 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [1,1,0,0,0,0|2,0,0]=4 4802 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,0]=3 4803 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,0]=3 4804 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|0,1,1]=4 4805 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|0,1,1]=4 4806 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 4807 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 4808 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 4809 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|2,0,0]=4 4810 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|1,0,0]=3 4811 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|1,0,0]=3 4812 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,1,0,0,0,0|1,1,0]=4 4813 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,1,0,0,0,0|1,1,0]=4 4814 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|1,1,0]=4 4815 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|1,1,0]=4 4816 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [1,1,0,0,0,0|2,0,0]=4 4817 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [1,1,0,0,0,0|2,0,0]=4 4818 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,0,0,0,0|2,0,0]=4 4819 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|2,0,0]=4 4820 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 4821 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,1,0,0,0,0|2,0,0]=4 4822 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,1,0,0,0,0|2,0,0]=4 4823 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 4824 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,1,0,0,0,0|2,0,0]=4 4825 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [1,1,0,0,0,0|2,0,0]=4 4826 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [1,1,0,0,0,0|2,0,0]=4 4827 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,1,0,0,0,0|2,0,0]=4 4828 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,1,0,0,0,0|2,0,0]=4 4829 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|2,0,0]=4 4830 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,1,0,0,0,0|2,0,0]=4 4831 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|2,0,0]=4 4832 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|2,0,0]=4 4833 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,1,0,0,0,0|2,0,0]=4 4834 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,1,0,0,0,0|2,0,0]=4 4835 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [1,1,0,0,0,0|2,0,0]=4 4836 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [1,1,0,0,0,0|2,0,0]=4 4837 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|1,0,0]=3 4838 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [1,1,0,0,0,0|2,0,0]=4 4839 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,1,0,0,0,0|2,0,0]=4 4840 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,1,0,0,0,0|2,0,0]=4 4841 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,1,0,0,0,0|2,0,0]=4 4842 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,1,0,0,0,0|2,0,0]=4 4843 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,1,0,0,0,0|2,0,0]=4 4844 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,1,0,0,0,0|2,0,0]=4 4845 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,1,0,0,0,0|2,0,0]=4 4846 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 4847 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 4848 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 4849 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 4850 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,1,0,0,0,0|2,0,0]=4 4851 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,1,0,0,0,0|2,0,0]=4 4852 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,1,0,0,0,0|2,0,0]=4 4853 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,1,0,0,0,0|2,0,0]=4 4854 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,1,0,0,0,0|2,0,0]=4 4855 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,1,0,0,0,0|2,0,0]=4 4856 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,1,0,0,0,0|2,0,0]=4 4857 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,1,0,0,0,0|2,0,0]=4 4858 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,1,0,0,0,0|2,0,0]=4 4859 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,1,0,0,0,0|2,0,0]=4 4860 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,1,0,0,0,0|2,0,0]=4 4861 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,1,0,0,0,0|2,0,0]=4 4862 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,1,0,0,0,0|2,0,0]=4 4863 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,1,0,0,0,0|2,0,0]=4 4864 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,1,0,0,0,0|2,0,0]=4 4865 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [1,1,0,0,0,0|2,0,0]=4 4866 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [1,1,0,0,0,0|2,0,0]=4 4867 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [1,1,0,0,0,0|2,0,0]=4 4868 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,1,0,0,0,0|2,0,0]=4 4869 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,1,0,0,0,0|2,0,0]=4 4870 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,1,0,0,0,0|2,0,0]=4 4871 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|2,0,0]=4 4872 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|2,0,0]=4 4873 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,1,0,0,0,0|2,0,0]=4 4874 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,1,0,0,0,0|2,0,0]=4 4875 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,1,0,0,0,0|2,0,0]=4 4876 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,1,0,0,0,0|2,0,0]=4 4877 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,1,0,0,0,0|2,0,0]=4 4878 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,1,0,0,0,0|2,0,0]=4 4879 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,1,0,0,0,0|2,0,0]=4 4880 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,1,0,0,0,0|2,0,0]=4 4881 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [1,1,0,0,0,0|2,0,0]=4 4882 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,0]=3 4883 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|2,0,0]=4 4884 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|1,0,0]=3 4885 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|2,0,0]=4 4886 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 4887 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 4888 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,1,0,0,0,0|2,0,0]=4 4889 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,1,0,0,0,0|2,0,0]=4 4890 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,1,0,0,0,0|2,0,0]=4 4891 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,1,0,0,0,0|2,0,0]=4 4892 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,2,0,0,0,0|1,0,1]=4 4893 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,2,0,0,0,0|2,0,0]=4 4894 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [0,2,0,0,0,0|2,0,0]=4 4895 B10R0.3 CC(=O)OCOC(C)CCBr 34a_100012276601_100009813279 [0,2,0,0,0,0|2,0,0]=4 4896 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [0,2,0,0,0,0|2,0,0]=4 4897 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [0,2,0,0,0,0|2,0,0]=4 4898 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,2,0,0,0,0|1,0,1]=4 4899 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,2,0,0,0,0|1,0,1]=4 4900 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|1,0,1]=4 4901 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,2,0,0,0,0|1,0,1]=4 4902 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,2,0,0,0,0|1,0,1]=4 4903 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,2,0,0,0,0|1,0,1]=4 4904 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,2,0,0,0,0|1,0,1]=4 4905 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,2,0,0,0,0|1,0,1]=4 4906 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|0,0,1]=3 4907 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,2,0,0,0,0|0,0,1]=3 4908 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|0,1,1]=4 4909 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,2,0,0,0,0|1,0,1]=4 4910 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,2,0,0,0,0|1,0,1]=4 4911 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,2,0,0,0,0|2,0,0]=4 4912 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,2,0,0,0,0|2,0,0]=4 4913 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|2,0,0]=4 4914 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,2,0,0,0,0|2,0,0]=4 4915 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,2,0,0,0,0|2,0,0]=4 4916 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,2,0,0,0,0|2,0,0]=4 4919 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,2,0,0,0,0|2,0,0]=4 4920 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,2,0,0,0,0|2,0,0]=4 4921 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,2,0,0,0,0|2,0,0]=4 4922 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 4923 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 4924 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|2,0,0]=4 4925 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,2,0,0,0,0|2,0,0]=4 4926 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,2,0,0,0,0|2,0,0]=4 4927 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,2,0,0,0,0|2,0,0]=4 4928 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,2,0,0,0,0|2,0,0]=4 4929 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,2,0,0,0,0|1,0,0]=3 4930 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,2,0,0,0,0|2,0,0]=4 4931 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,2,0,0,0,0|2,0,0]=4 4932 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,2,0,0,0,0|2,0,0]=4 4933 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,2,0,0,0,0|2,0,0]=4 4934 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,2,0,0,0,0|1,0,0]=3 4935 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,2,0,0,0,0|1,0,0]=3 4936 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,2,0,0,0,0|2,0,0]=4 4937 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,2,0,0,0,0|2,0,0]=4 4938 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,2,0,0,0,0|2,0,0]=4 4939 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,2,0,0,0,0|2,0,0]=4 4940 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,2,0,0,0,0|2,0,0]=4 4941 B10R0.3 CCCN(C)CCNC(=O)N 2230a_100000747261_200000034859 [0,2,0,0,0,0|2,0,0]=4 4942 B10R0.3 CCCN(C)CCNC(=O)N 269982a_100000747261_200000034859 [0,2,0,0,0,0|2,0,0]=4 4943 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,2,0,0,0,0|1,0,0]=3 4944 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,2,0,0,0,0|1,0,0]=3 4945 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,2,0,0,0,0|1,0,1]=4 4946 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,2,0,0,0,0|2,0,0]=4 4949 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,2,0,0,0,0|1,0,1]=4 4950 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,2,0,0,0,0|1,0,1]=4 4951 B10R0.3 CN(CCO)CCOC(=O)N 269982a_100000210263_200011214921 [0,2,0,0,0,0|2,0,0]=4 4952 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,2,0,0,0,0|1,0,1]=4 4953 B10R0.3 COCC(=O)CCOC(=O)N 1458a_100000210968_200011214921 [0,2,0,0,0,0|1,0,1]=4 4954 B10R0.3 COCC(C)SCOC(=O)C 62a_100000076356_100000765312 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.3 COCC(C)SCOC(=O)C 62a_100000765312_100000076356 [0,2,0,0,0,0|2,0,0]=4 4956 B10R0.3 COC[C@@H](C)OCOC(=O)C 34a_100011934205_100009813279 [0,2,0,0,0,0|2,0,0]=4 4957 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,2,0,0,0,0|1,0,1]=4 4958 B10R0.3 CSCC(=O)CCOC(=O)N 1458a_100000184570_200011214921 [0,2,0,0,0,0|1,0,1]=4 4959 B10R0.3 NC(=O)OCCC(=O)CCO 1458a_100011216618_200011214921 [0,2,0,0,0,0|1,0,1]=4 4960 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,2,0,0,0,0|1,0,1]=4 4961 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,2,0,0,0,0|1,0,1]=4 4962 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,2,0,0,0,0|1,0,1]=4 4963 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,2,0,0,0,0|0,0,2]=4 4964 B10R0.4 C#CCCCCOCC(=O)N 34a_100000766709_100000187820 [0,2,0,0,0,0|0,0,2]=4 4965 B10R0.4 C#CCCCCOCC(=O)N 7a_100000766709_100000187820 [0,2,0,0,0,0|0,0,2]=4 4966 B10R0.4 C#CCCCCOCC(=O)[O-] 34a_100000766709_100020667443 [0,2,0,0,0,0|0,0,2]=4 4967 B10R0.4 C#CCCCNCOC(=O)C 34a_100000718082_100009813279 [0,2,0,0,0,0|0,0,2]=4 4968 B10R0.4 C#CCCCOCOC(=O)C 34a_100000215630_100009813279 [0,2,0,0,0,0|0,0,2]=4 4969 B10R0.4 C#CCCCSCOC(=O)C 62a_100000076356_100011215417 [0,2,0,0,0,0|0,0,2]=4 4970 B10R0.4 C#CCCCSCOC(=O)C 62a_100011215417_100000076356 [0,2,0,0,0,0|0,0,2]=4 4971 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [0,2,0,0,0,0|0,0,2]=4 4972 B10R0.4 C#CCCNCCOC(=O)N 34a_100000755551_200011214921 [0,2,0,0,0,0|0,0,2]=4 4973 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [0,2,0,0,0,0|0,0,2]=4 4974 B10R0.4 C#CCCOCCOC(=O)N 34a_100011215631_200011214921 [0,2,0,0,0,0|0,0,2]=4 4975 B10R0.4 C#CCCOCCOC(=O)N 7a_100000766696_100000688953 [0,2,0,0,0,0|0,0,2]=4 4976 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [0,2,0,0,0,0|0,0,2]=4 4977 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [0,2,0,0,0,0|0,0,2]=4 4978 B10R0.4 C#CCCSCCOC(=O)N 62a_100000688953_200011214921 [0,2,0,0,0,0|0,0,2]=4 4979 B10R0.4 C#CCCSCCOC(=O)N 62a_200011214921_100000688953 [0,2,0,0,0,0|0,0,2]=4 4980 B10R0.4 C#CCNCCCOC(=O)C 34a_100000212058_100000042594 [0,2,0,0,0,0|0,0,2]=4 4981 B10R0.4 C#CCOCCCCC(C)C 34a_100000210247_100011216152 [0,2,0,0,0,0|1,0,1]=4 4982 B10R0.4 C#CCOCCCCC(C)C 34a_100011214890_100000184674 [0,2,0,0,0,0|1,0,1]=4 4983 B10R0.4 C#CCOCCCCC(C)C 7a_100011214890_100000038162 [0,2,0,0,0,0|1,0,1]=4 4984 B10R0.4 C#CCOCCCOC(=O)C 34a_100000210247_100000042594 [0,2,0,0,0,0|0,0,2]=4 4985 B10R0.4 C#CCSCCCOC(=O)C 62a_100000038162_100000042594 [0,2,0,0,0,0|0,0,2]=4 4986 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [0,2,0,0,0,0|2,0,0]=4 4987 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,2,0,0,0,0|2,0,0]=4 4988 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [0,2,0,0,0,0|0,0,2]=4 4989 B10R0.4 C/C=C/CNCCCC(C)C 34a_200000737386_100102629194 [0,2,0,0,0,0|2,0,0]=4 4990 B10R0.4 C/C=C/COCCCC(C)C 34a_100000210774_100102629194 [0,2,0,0,0,0|2,0,0]=4 4991 B10R0.4 C/C=C/COCCCC(C)C 34a_100016270725_100011214892 [0,2,0,0,0,0|2,0,0]=4 4992 B10R0.4 C/C=C/COCCCC(C)C 7a_100000210774_100102629194 [0,2,0,0,0,0|2,0,0]=4 4993 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,2,0,0,0,0|2,0,0]=4 4994 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,2,0,0,0,0|0,0,2]=4 4995 B10R0.4 C/C=C/COCCOC(=O)N 34a_100016270725_200011214921 [0,2,0,0,0,0|0,0,2]=4 4996 B10R0.4 C/C=C/COCCOC(=O)N 7a_100000766696_100102629194 [0,2,0,0,0,0|0,0,2]=4 4997 B10R0.4 C/C=C/CSCCCC(C)C 62a_100011214892_100102629194 [0,2,0,0,0,0|2,0,0]=4 4998 B10R0.4 C/C=C/CSCCCC(C)C 62a_100102629194_100011214892 [0,2,0,0,0,0|2,0,0]=4 4999 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,2,0,0,0,0|2,0,0]=4 5000 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,2,0,0,0,0|2,0,0]=4 5001 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [0,2,0,0,0,0|0,0,2]=4 5002 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [0,2,0,0,0,0|0,0,2]=4 5003 B10R0.4 C/C=C/CSCCOC(=O)N 62a_100102629194_200011214921 [0,2,0,0,0,0|0,0,2]=4 5004 B10R0.4 C/C=C/CSCCOC(=O)N 62a_200011214921_100102629194 [0,2,0,0,0,0|0,0,2]=4 5005 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,2,0,0,0,0|2,0,0]=4 5006 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,2,0,0,0,0|2,0,0]=4 5007 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,2,0,0,0,0|2,0,0]=4 5008 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,2,0,0,0,0|2,0,0]=4 5009 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,2,0,0,0,0|2,0,0]=4 5010 B10R0.4 C=C(C)CCSCCCC=O 62a_100000730704_200011292268 [0,2,0,0,0,0|1,0,1]=4 5011 B10R0.4 C=C(C)CCSCCCC=O 62a_200011292268_100000730704 [0,2,0,0,0,0|1,0,1]=4 5012 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,2,0,0,0,0|2,0,0]=4 5013 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,2,0,0,0,0|2,0,0]=4 5014 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,2,0,0,0,0|2,0,0]=4 5015 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,2,0,0,0,0|2,0,0]=4 5016 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,2,0,0,0,0|2,0,0]=4 5017 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,2,0,0,0,0|1,0,0]=3 5018 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,2,0,0,0,0|1,0,0]=3 5019 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,2,0,0,0,0|1,0,0]=3 5020 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,2,0,0,0,0|2,0,0]=4 5021 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,2,0,0,0,0|2,0,0]=4 5022 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,2,0,0,0,0|2,0,0]=4 5023 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,2,0,0,0,0|2,0,0]=4 5024 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,2,0,0,0,0|2,0,0]=4 5025 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,2,0,0,0,0|2,0,0]=4 5026 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,2,0,0,0,0|2,0,0]=4 5027 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,2,0,0,0,0|2,0,0]=4 5028 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,2,0,0,0,0|2,0,0]=4 5029 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,2,0,0,0,0|2,0,0]=4 5030 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,2,0,0,0,0|2,0,0]=4 5031 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,2,0,0,0,0|2,0,0]=4 5032 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,2,0,0,0,0|2,0,0]=4 5033 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,2,0,0,0,0|2,0,0]=4 5034 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,2,0,0,0,0|2,0,0]=4 5035 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,2,0,0,0,0|2,0,0]=4 5036 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,2,0,0,0,0|2,0,0]=4 5037 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,2,0,0,0,0|2,0,0]=4 5038 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,2,0,0,0,0|2,0,0]=4 5040 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,2,0,0,0,0|2,0,0]=4 5041 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,2,0,0,0,0|2,0,0]=4 5042 B10R0.4 C=C(C)CSCCCCC=O 62a_100000139335_100000211660 [0,2,0,0,0,0|1,0,1]=4 5043 B10R0.4 C=C(C)CSCCCCC=O 62a_100000748629_100000139335 [0,2,0,0,0,0|1,0,1]=4 5044 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,2,0,0,0,0|1,1,0]=4 5045 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,2,0,0,0,0|1,1,0]=4 5046 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,2,0,0,0,0|2,0,0]=4 5047 B10R0.4 C=C(F)COCCCCCBr 34a_100000746331_100009893438 [0,2,0,0,0,0|2,0,0]=4 5048 B10R0.4 C=C(F)COCCCCCBr 7a_100000746331_100000042424 [0,2,0,0,0,0|2,0,0]=4 5049 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,2,0,0,0,0|1,0,0]=3 5050 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,2,0,0,0,0|1,0,0]=3 5051 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,2,0,0,0,0|1,0,0]=3 5052 B10R0.4 C=C(F)COCCCCCCl 34a_100000746330_100009893438 [0,2,0,0,0,0|2,0,0]=4 5053 B10R0.4 C=C(F)COCCCCCCl 7a_100000746330_100000042424 [0,2,0,0,0,0|2,0,0]=4 5054 B10R0.4 C=C(F)COCCCCCF 34a_200010262243_100000729378 [0,2,0,0,0,0|2,0,0]=4 5055 B10R0.4 C=C(F)COCCCCCI 34a_200012148887_100009893438 [0,2,0,0,0,0|2,0,0]=4 5056 B10R0.4 C=C(F)COCCCCCI 7a_200012148887_100000042424 [0,2,0,0,0,0|2,0,0]=4 5057 B10R0.4 C=C(F)COCCCCCN 34a_100000762737_100009893438 [0,2,0,0,0,0|2,0,0]=4 5058 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,2,0,0,0,0|2,0,0]=4 5059 B10R0.4 C=C(F)COCCCCOC 34a_100000740925_100009893438 [0,2,0,0,0,0|2,0,0]=4 5060 B10R0.4 C=C(F)COCCCCOC 34a_200010262243_100000755781 [0,2,0,0,0,0|2,0,0]=4 5061 B10R0.4 C=C(F)COCCCCSC 34a_100011217163_100009893438 [0,2,0,0,0,0|2,0,0]=4 5062 B10R0.4 C=C(F)COCCCCSC 7a_100011217163_100000042424 [0,2,0,0,0,0|2,0,0]=4 5063 B10R0.4 C=C(F)COCCCOCC 34a_100000757476_100009893438 [0,2,0,0,0,0|2,0,0]=4 5064 B10R0.4 C=C(F)COCCCOCC 34a_200010262243_100012232248 [0,2,0,0,0,0|2,0,0]=4 5065 B10R0.4 C=C(F)COCCCOCC 7a_100000757476_100000042424 [0,2,0,0,0,0|2,0,0]=4 5066 B10R0.4 C=C(F)COCCCSCC 34a_100011216438_100009893438 [0,2,0,0,0,0|2,0,0]=4 5067 B10R0.4 C=C(F)COCCCSCC 7a_100011216438_100000042424 [0,2,0,0,0,0|2,0,0]=4 5068 B10R0.4 C=C(F)COCCOCCC 34a_100000752267_100009893438 [0,2,0,0,0,0|2,0,0]=4 5069 B10R0.4 C=C(F)COCCOCCC 34a_200010262243_100011215938 [0,2,0,0,0,0|2,0,0]=4 5070 B10R0.4 C=C(F)COCCOCCC 7a_100000752267_100000042424 [0,2,0,0,0,0|2,0,0]=4 5071 B10R0.4 C=C(F)COCCSCCC 34a_200000230433_100009893438 [0,2,0,0,0,0|2,0,0]=4 5072 B10R0.4 C=C(F)COCCSCCC 7a_200000230433_100000042424 [0,2,0,0,0,0|2,0,0]=4 5073 B10R0.4 C=C(F)COCOCCCC 34a_200010262243_100011995733 [0,2,0,0,0,0|2,0,0]=4 5074 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,2,0,0,0,0|1,1,0]=4 5075 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,2,0,0,0,0|1,1,0]=4 5076 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,2,0,0,0,0|1,0,1]=4 5077 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,2,0,0,0,0|1,0,1]=4 5078 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,2,0,0,0,0|1,0,1]=4 5079 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,2,0,0,0,0|2,0,0]=4 5080 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,2,0,0,0,0|2,0,0]=4 5081 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [0,2,0,0,0,0|2,0,0]=4 5082 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [0,2,0,0,0,0|2,0,0]=4 5083 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,2,0,0,0,0|2,0,0]=4 5084 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,2,0,0,0,0|2,0,0]=4 5085 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,2,0,0,0,0|2,0,0]=4 5086 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [0,2,0,0,0,0|2,0,0]=4 5087 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [0,2,0,0,0,0|2,0,0]=4 5088 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [0,2,0,0,0,0|2,0,0]=4 5089 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [0,2,0,0,0,0|2,0,0]=4 5090 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [0,2,0,0,0,0|2,0,0]=4 5091 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [0,2,0,0,0,0|2,0,0]=4 5092 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [0,2,0,0,0,0|2,0,0]=4 5093 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [0,2,0,0,0,0|2,0,0]=4 5094 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [0,2,0,0,0,0|2,0,0]=4 5095 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [0,2,0,0,0,0|2,0,0]=4 5096 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [0,2,0,0,0,0|2,0,0]=4 5097 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [0,2,0,0,0,0|2,0,0]=4 5098 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [0,2,0,0,0,0|2,0,0]=4 5099 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,2,0,0,0,0|0,0,2]=4 5100 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [0,2,0,0,0,0|0,0,2]=4 5101 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [0,2,0,0,0,0|0,0,2]=4 5102 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [0,2,0,0,0,0|0,0,2]=4 5103 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,2,0,0,0,0|2,0,0]=4 5104 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,2,0,0,0,0|2,0,0]=4 5105 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,2,0,0,0,0|2,0,0]=4 5106 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,2,0,0,0,0|2,0,0]=4 5107 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,2,0,0,0,0|2,0,0]=4 5108 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,2,0,0,0,0|2,0,0]=4 5109 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,2,0,0,0,0|2,0,0]=4 5110 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,2,0,0,0,0|2,0,0]=4 5111 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,2,0,0,0,0|2,0,0]=4 5112 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,2,0,0,0,0|2,0,0]=4 5114 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [0,2,0,0,0,0|2,0,0]=4 5115 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [0,2,0,0,0,0|2,0,0]=4 5116 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [0,2,0,0,0,0|2,0,0]=4 5117 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [0,2,0,0,0,0|2,0,0]=4 5118 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [0,2,0,0,0,0|2,0,0]=4 5119 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [0,2,0,0,0,0|2,0,0]=4 5120 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [0,2,0,0,0,0|2,0,0]=4 5121 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [0,2,0,0,0,0|2,0,0]=4 5122 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [0,2,0,0,0,0|2,0,0]=4 5123 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [0,2,0,0,0,0|2,0,0]=4 5124 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [0,2,0,0,0,0|2,0,0]=4 5125 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [0,2,0,0,0,0|2,0,0]=4 5126 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [0,2,0,0,0,0|0,0,2]=4 5127 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,2,0,0,0,0|2,0,0]=4 5128 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,2,0,0,0,0|2,0,0]=4 5129 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,2,0,0,0,0|2,0,0]=4 5130 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,2,0,0,0,0|2,0,0]=4 5131 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,2,0,0,0,0|2,0,0]=4 5132 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,2,0,0,0,0|2,0,0]=4 5133 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,2,0,0,0,0|2,0,0]=4 5134 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,2,0,0,0,0|2,0,0]=4 5135 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [0,2,0,0,0,0|0,0,2]=4 5136 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [0,2,0,0,0,0|2,0,0]=4 5137 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [0,2,0,0,0,0|2,0,0]=4 5139 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [0,2,0,0,0,0|2,0,0]=4 5140 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [0,2,0,0,0,0|0,0,2]=4 5141 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [0,2,0,0,0,0|0,0,2]=4 5142 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [0,2,0,0,0,0|2,0,0]=4 5143 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [0,2,0,0,0,0|2,0,0]=4 5144 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [0,2,0,0,0,0|2,0,0]=4 5145 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [0,2,0,0,0,0|2,0,0]=4 5146 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [0,2,0,0,0,0|2,0,0]=4 5147 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [0,2,0,0,0,0|2,0,0]=4 5148 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [0,2,0,0,0,0|2,0,0]=4 5149 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [0,2,0,0,0,0|2,0,0]=4 5150 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,2,0,0,0,0|0,0,2]=4 5151 B10R0.4 C=CCCOCCOC(=O)N 34a_100011205117_200011214921 [0,2,0,0,0,0|0,0,2]=4 5152 B10R0.4 C=CCCOCCOC(=O)N 7a_100000766696_100000754431 [0,2,0,0,0,0|0,0,2]=4 5153 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [0,2,0,0,0,0|2,0,0]=4 5154 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [0,2,0,0,0,0|2,0,0]=4 5155 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [0,2,0,0,0,0|2,0,0]=4 5156 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [0,2,0,0,0,0|2,0,0]=4 5157 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [0,2,0,0,0,0|0,0,2]=4 5158 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [0,2,0,0,0,0|0,0,2]=4 5159 B10R0.4 C=CCCSCCOC(=O)N 62a_100000754431_200011214921 [0,2,0,0,0,0|0,0,2]=4 5160 B10R0.4 C=CCCSCCOC(=O)N 62a_200011214921_100000754431 [0,2,0,0,0,0|0,0,2]=4 5161 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [0,2,0,0,0,0|2,0,0]=4 5162 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,2,0,0,0,0|1,0,1]=4 5163 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,2,0,0,0,0|1,0,0]=3 5164 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,2,0,0,0,0|1,0,0]=3 5165 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,2,0,0,0,0|1,0,0]=3 5166 B10R0.4 C=CCOCCCNC(C)C 34a_100000182298_100015514636 [0,2,0,0,0,0|2,0,0]=4 5167 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [0,2,0,0,0,0|0,0,2]=4 5168 B10R0.4 C=CCOCCNCC(C)C 34a_100015185251_100015514636 [0,2,0,0,0,0|2,0,0]=4 5169 B10R0.4 C=CCOCCOCC(C)C 34a_100000037705_100000210624 [0,2,0,0,0,0|2,0,0]=4 5170 B10R0.4 C=CCOCCOCC(C)C 34a_100000703358_100015514636 [0,2,0,0,0,0|2,0,0]=4 5171 B10R0.4 C=CCOCCOCC(C)C 7a_100000037705_100000210760 [0,2,0,0,0,0|2,0,0]=4 5172 B10R0.4 C=CCOCCOCC(C)C 7a_100000703358_100015514636 [0,2,0,0,0,0|2,0,0]=4 5173 B10R0.4 C=CCOCCOCC(C)O 34a_100000037705_100011218427 [0,2,0,0,0,0|2,0,0]=4 5174 B10R0.4 C=CCOCCOCC(C)O 7a_100000037705_100011218427 [0,2,0,0,0,0|2,0,0]=4 5175 B10R0.4 C=CCOCCOC[C@@H](C)O 34a_100000037705_100009817552 [0,2,0,0,0,0|2,0,0]=4 5176 B10R0.4 C=CCOCCOC[C@@H](C)O 7a_100000037705_100009817552 [0,2,0,0,0,0|2,0,0]=4 5177 B10R0.4 C=CCOCCSCC(C)C 34a_200000230437_100015514636 [0,2,0,0,0,0|2,0,0]=4 5178 B10R0.4 C=CCOCCSCC(C)C 7a_200000230437_100015514636 [0,2,0,0,0,0|2,0,0]=4 5179 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [0,2,0,0,0,0|1,1,0]=4 5180 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [0,2,0,0,0,0|1,1,0]=4 5181 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [0,2,0,0,0,0|0,0,2]=4 5182 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [0,2,0,0,0,0|0,0,2]=4 5183 B10R0.4 C=COCCCCOC(C)C 34a_100000031558_100000210206 [0,2,0,0,0,0|1,0,0]=3 5184 B10R0.4 C=COCCCCOC(C)C 7a_100000031558_100000210206 [0,2,0,0,0,0|1,0,0]=3 5185 B10R0.4 C=COCCCNCC(=C)C 2230a_100000210767_100000748629 [0,2,0,0,0,0|1,0,1]=4 5186 B10R0.4 C=COCCCNCC(=C)C 34a_100000210767_100000748629 [0,2,0,0,0,0|1,0,1]=4 5187 B10R0.4 C=COCCCNCC(C)C 2230a_100000210767_100000210760 [0,2,0,0,0,0|1,0,0]=3 5188 B10R0.4 C=COCCCNCC(C)C 270004a_100000210767_100000210432 [0,2,0,0,0,0|1,0,0]=3 5189 B10R0.4 C=COCCCNCC(C)C 34a_100000210767_100000210624 [0,2,0,0,0,0|1,0,0]=3 5190 B10R0.4 C=COCCCNCC(C)O 2230a_100000210767_100011218427 [0,2,0,0,0,0|1,0,0]=3 5191 B10R0.4 C=COCCCNCC(C)O 34a_100000210767_100011218427 [0,2,0,0,0,0|1,0,0]=3 5192 B10R0.4 C=COCCCNCC(F)F 2230a_100000210767_100011934356 [0,2,0,0,0,0|2,0,0]=4 5193 B10R0.4 C=COCCCNCC(F)F 34a_100000210767_100011934356 [0,2,0,0,0,0|2,0,0]=4 5194 B10R0.4 C=COCCCNC[C@@H](C)O 2230a_100000210767_100009817552 [0,2,0,0,0,0|1,0,0]=3 5195 B10R0.4 C=COCCCNC[C@@H](C)O 34a_100000210767_100009817552 [0,2,0,0,0,0|1,0,0]=3 5196 B10R0.4 C=COCCNCCC(C)O 2230a_200000755665_100000039644 [0,2,0,0,0,0|1,0,0]=3 5197 B10R0.4 C=COCCOCCC(=C)C 34a_100000033082_100000730704 [0,2,0,0,0,0|1,0,1]=4 5198 B10R0.4 C=COCCOCCC(=C)C 34a_100000764851_100000039644 [0,2,0,0,0,0|1,0,1]=4 5199 B10R0.4 C=COCCOCCC(=O)C 34a_100000759926_100000039644 [0,2,0,0,0,0|1,0,1]=4 5200 B10R0.4 C=COCCOCCC(=O)C 7a_100000759926_100000039644 [0,2,0,0,0,0|1,0,1]=4 5201 B10R0.4 C=COCCOCCC(C)Br 34a_100009893172_100000039644 [0,2,0,0,0,0|1,0,0]=3 5202 B10R0.4 C=COCCOCCC(C)C 34a_100000033082_100000210312 [0,2,0,0,0,0|1,0,0]=3 5203 B10R0.4 C=COCCOCCC(C)C 34a_100000210254_100000039644 [0,2,0,0,0,0|1,0,0]=3 5204 B10R0.4 C=COCCOCCC(C)C 7a_100000210254_100000039644 [0,2,0,0,0,0|1,0,0]=3 5205 B10R0.4 C=COCCOCCC(C)O 34a_100000033082_100012276601 [0,2,0,0,0,0|1,0,0]=3 5206 B10R0.4 C=COCCOCCC(F)F 34a_100103093639_100000039644 [0,2,0,0,0,0|2,0,0]=4 5207 B10R0.4 C=COCCOCC[C@@H](C)N 34a_100000706166_100000039644 [0,2,0,0,0,0|1,0,0]=3 5208 B10R0.4 C=COCCOCOC(C)C 34a_100000033082_100000709892 [0,2,0,0,0,0|2,0,0]=4 5209 B10R0.4 C=COCCSCCC(=C)C 62a_100000039644_100000730704 [0,2,0,0,0,0|1,0,1]=4 5210 B10R0.4 C=COCCSCCC(=C)C 62a_100000730704_100000039644 [0,2,0,0,0,0|1,0,1]=4 5211 B10R0.4 C=COCCSCCC(=O)C 62a_100000039644_100000053229 [0,2,0,0,0,0|1,0,1]=4 5212 B10R0.4 C=COCCSCCC(=O)C 62a_100000053229_100000039644 [0,2,0,0,0,0|1,0,1]=4 5213 B10R0.4 C=COCCSCCC(C)C 62a_100000039644_100000210312 [0,2,0,0,0,0|1,0,0]=3 5214 B10R0.4 C=COCCSCCC(C)C 62a_100000210312_100000039644 [0,2,0,0,0,0|1,0,0]=3 5215 B10R0.4 C=COCCSCCC(C)O 62a_100000039644_100012276601 [0,2,0,0,0,0|1,0,0]=3 5216 B10R0.4 C=COCCSCCC(C)O 62a_100012276601_100000039644 [0,2,0,0,0,0|1,0,0]=3 5217 B10R0.4 C=COCCSCCN(C)C 62a_100000039644_100000755713 [0,2,0,0,0,0|2,0,0]=4 5218 B10R0.4 C=COCCSCOC(C)C 62a_100000039644_100000709892 [0,2,0,0,0,0|2,0,0]=4 5219 B10R0.4 C=COCCSCOC(C)C 62a_100000709892_100000039644 [0,2,0,0,0,0|2,0,0]=4 5220 B10R0.4 CC#CCCOCOC(=O)C 34a_100000750427_100009813279 [0,2,0,0,0,0|0,0,2]=4 5221 B10R0.4 CC#CCNCCOC(=O)C 34a_100000685387_100009814007 [0,2,0,0,0,0|0,0,2]=4 5222 B10R0.4 CC#CCNCCOC(=O)N 34a_100000685387_200011214921 [0,2,0,0,0,0|0,0,2]=4 5223 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [0,2,0,0,0,0|0,0,2]=4 5224 B10R0.4 CC#CCOCCOC(=O)N 34a_100000761923_200011214921 [0,2,0,0,0,0|0,0,2]=4 5225 B10R0.4 CC#CCOCCOC(=O)N 7a_100000766696_100000748600 [0,2,0,0,0,0|0,0,2]=4 5226 B10R0.4 CC#CCSCCOC(=O)C 62a_100000748600_100009814007 [0,2,0,0,0,0|0,0,2]=4 5227 B10R0.4 CC#CCSCCOC(=O)C 62a_100009814007_100000748600 [0,2,0,0,0,0|0,0,2]=4 5228 B10R0.4 CC#CCSCCOC(=O)N 62a_100000748600_200011214921 [0,2,0,0,0,0|0,0,2]=4 5229 B10R0.4 CC#CCSCCOC(=O)N 62a_200011214921_100000748600 [0,2,0,0,0,0|0,0,2]=4 5230 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,2,0,0,0,0|1,0,1]=4 5231 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,0,0,0,0|1,0,0]=3 5232 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,0,0,0,0|1,0,0]=3 5233 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,2,0,0,0,0|2,0,0]=4 5234 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,2,0,0,0,0|2,0,0]=4 5235 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,2,0,0,0,0|2,0,0]=4 5236 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,2,0,0,0,0|2,0,0]=4 5237 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,2,0,0,0,0|0,1,1]=4 5238 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,2,0,0,0,0|0,1,1]=4 5239 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,2,0,0,0,0|2,0,0]=4 5240 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,2,0,0,0,0|2,0,0]=4 5241 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,2,0,0,0,0|2,0,0]=4 5242 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,2,0,0,0,0|2,0,0]=4 5243 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,2,0,0,0,0|2,0,0]=4 5244 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,2,0,0,0,0|2,0,0]=4 5245 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,2,0,0,0,0|2,0,0]=4 5246 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,2,0,0,0,0|2,0,0]=4 5247 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,2,0,0,0,0|2,0,0]=4 5248 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,2,0,0,0,0|2,0,0]=4 5249 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,2,0,0,0,0|2,0,0]=4 5250 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,2,0,0,0,0|2,0,0]=4 5251 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,2,0,0,0,0|2,0,0]=4 5252 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,2,0,0,0,0|2,0,0]=4 5253 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,2,0,0,0,0|2,0,0]=4 5254 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,2,0,0,0,0|2,0,0]=4 5255 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,2,0,0,0,0|2,0,0]=4 5256 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,2,0,0,0,0|1,0,1]=4 5257 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|2,0,0]=4 5258 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|2,0,0]=4 5259 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|2,0,0]=4 5260 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|2,0,0]=4 5261 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|2,0,0]=4 5262 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|2,0,0]=4 5263 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,2,0,0,0,0|1,0,1]=4 5264 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,2,0,0,0,0|1,0,1]=4 5265 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,2,0,0,0,0|2,0,0]=4 5266 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,2,0,0,0,0|2,0,0]=4 5267 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,2,0,0,0,0|2,0,0]=4 5268 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,2,0,0,0,0|2,0,0]=4 5269 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,0,0,0,0|1,0,0]=3 5270 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,0,0,0,0|1,0,0]=3 5271 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,2,0,0,0,0|2,0,0]=4 5272 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,2,0,0,0,0|2,0,0]=4 5273 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 5274 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 5275 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 5276 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,2,0,0,0,0|1,0,1]=4 5277 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,2,0,0,0,0|1,0,0]=3 5278 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,2,0,0,0,0|1,0,0]=3 5279 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,2,0,0,0,0|1,0,0]=3 5280 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,2,0,0,0,0|1,0,0]=3 5281 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,2,0,0,0,0|2,0,0]=4 5282 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,2,0,0,0,0|2,0,0]=4 5283 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,2,0,0,0,0|2,0,0]=4 5284 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [0,2,0,0,0,0|1,0,1]=4 5285 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,2,0,0,0,0|2,0,0]=4 5286 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,2,0,0,0,0|2,0,0]=4 5287 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,2,0,0,0,0|2,0,0]=4 5288 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,2,0,0,0,0|2,0,0]=4 5289 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,2,0,0,0,0|2,0,0]=4 5290 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,2,0,0,0,0|2,0,0]=4 5291 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,2,0,0,0,0|2,0,0]=4 5292 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,2,0,0,0,0|2,0,0]=4 5293 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,2,0,0,0,0|2,0,0]=4 5294 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,2,0,0,0,0|2,0,0]=4 5295 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,2,0,0,0,0|2,0,0]=4 5296 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,0,0,0,0|0,0,0]=2 5297 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,0,0,0,0|0,0,0]=2 5298 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,2,0,0,0,0|1,0,0]=3 5299 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,2,0,0,0,0|1,0,0]=3 5300 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,2,0,0,0,0|1,0,0]=3 5301 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,2,0,0,0,0|1,0,0]=3 5302 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,2,0,0,0,0|1,0,0]=3 5303 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,2,0,0,0,0|1,0,0]=3 5304 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,2,0,0,0,0|1,0,0]=3 5305 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,2,0,0,0,0|1,0,0]=3 5306 B10R0.4 CC(=O)OCCCSCC#N 62a_100000042594_100011215382 [0,2,0,0,0,0|1,0,1]=4 5307 B10R0.4 CC(=O)OCCCSCC#N 62a_100011215382_100000042594 [0,2,0,0,0,0|1,0,1]=4 5308 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,2,0,0,0,0|1,0,1]=4 5309 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,2,0,0,0,0|1,0,1]=4 5310 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,2,0,0,0,0|1,0,0]=3 5311 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,2,0,0,0,0|1,0,0]=3 5312 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,2,0,0,0,0|1,0,0]=3 5313 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,2,0,0,0,0|1,0,0]=3 5314 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,2,0,0,0,0|1,0,0]=3 5315 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,2,0,0,0,0|1,0,0]=3 5316 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,2,0,0,0,0|1,0,0]=3 5317 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,2,0,0,0,0|1,0,0]=3 5318 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,2,0,0,0,0|1,0,0]=3 5319 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,2,0,0,0,0|2,0,0]=4 5320 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,2,0,0,0,0|1,0,0]=3 5321 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,2,0,0,0,0|1,0,0]=3 5322 B10R0.4 CC(=O)OCCOCSCF 62a_100000076355_100015361967 [0,2,0,0,0,0|2,0,0]=4 5323 B10R0.4 CC(=O)OCCOCSCF 62a_100015361967_100000076355 [0,2,0,0,0,0|2,0,0]=4 5324 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [0,2,0,0,0,0|1,0,1]=4 5325 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [0,2,0,0,0,0|1,0,1]=4 5326 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,2,0,0,0,0|1,0,0]=3 5327 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,2,0,0,0,0|1,0,0]=3 5328 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,2,0,0,0,0|1,0,0]=3 5329 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,2,0,0,0,0|1,0,0]=3 5330 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,2,0,0,0,0|1,0,0]=3 5331 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,2,0,0,0,0|1,0,0]=3 5332 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,2,0,0,0,0|1,0,0]=3 5333 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,2,0,0,0,0|1,0,0]=3 5334 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,2,0,0,0,0|1,0,0]=3 5335 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,2,0,0,0,0|1,0,0]=3 5336 B10R0.4 CC(=O)OCSCCCC#N 62a_100000076356_100000687738 [0,2,0,0,0,0|1,0,1]=4 5337 B10R0.4 CC(=O)OCSCCCC#N 62a_100000687738_100000076356 [0,2,0,0,0,0|1,0,1]=4 5338 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,2,0,0,0,0|1,0,1]=4 5339 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,2,0,0,0,0|1,0,1]=4 5340 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,2,0,0,0,0|1,0,0]=3 5341 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,2,0,0,0,0|1,0,0]=3 5342 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,2,0,0,0,0|1,0,0]=3 5343 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,2,0,0,0,0|1,0,0]=3 5344 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,2,0,0,0,0|1,1,0]=4 5345 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,2,0,0,0,0|1,1,0]=4 5346 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,2,0,0,0,0|1,1,0]=4 5347 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,2,0,0,0,0|1,1,0]=4 5348 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,2,0,0,0,0|1,1,0]=4 5349 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,2,0,0,0,0|1,1,0]=4 5350 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,2,0,0,0,0|1,1,0]=4 5351 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,2,0,0,0,0|1,1,0]=4 5352 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,2,0,0,0,0|1,1,0]=4 5353 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,2,0,0,0,0|1,1,0]=4 5354 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,2,0,0,0,0|1,1,0]=4 5355 B10R0.4 CC(=S)OCCCNCCF 34a_100000724931_200135323944 [0,2,0,0,0,0|1,1,0]=4 5356 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [0,2,0,0,0,0|1,1,0]=4 5357 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [0,2,0,0,0,0|1,1,0]=4 5358 B10R0.4 CC(=S)OCCCOCCBr 34a_100000211926_200135323944 [0,2,0,0,0,0|1,1,0]=4 5359 B10R0.4 CC(=S)OCCCOCCN 34a_100000210304_200135323944 [0,2,0,0,0,0|1,1,0]=4 5360 B10R0.4 CC(=S)OCCCSCCF 62a_100011217306_200135323944 [0,2,0,0,0,0|1,1,0]=4 5361 B10R0.4 CC(=S)OCCCSCCF 62a_200135323944_100011217306 [0,2,0,0,0,0|1,1,0]=4 5362 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [0,2,0,0,0,0|1,1,0]=4 5363 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [0,2,0,0,0,0|1,1,0]=4 5364 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,2,0,0,0,0|1,0,1]=4 5365 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,2,0,0,0,0|1,0,1]=4 5366 B10R0.4 CC(C)CCCCOCC#N 7a_100011214890_100011215382 [0,2,0,0,0,0|1,0,1]=4 5367 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,2,0,0,0,0|0,0,0]=2 5368 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,2,0,0,0,0|0,0,0]=2 5369 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,2,0,0,0,0|1,0,1]=4 5370 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,2,0,0,0,0|1,0,1]=4 5371 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,2,0,0,0,0|1,0,1]=4 5372 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,2,0,0,0,0|1,0,1]=4 5373 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,2,0,0,0,0|0,0,2]=4 5374 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,2,0,0,0,0|0,0,2]=4 5375 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,2,0,0,0,0|0,1,0]=3 5376 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,2,0,0,0,0|0,1,0]=3 5377 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,2,0,0,0,0|1,0,0]=3 5378 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,2,0,0,0,0|1,0,0]=3 5379 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,2,0,0,0,0|1,0,0]=3 5380 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,2,0,0,0,0|1,0,0]=3 5381 B10R0.4 CC(C)CNCCOCC=O 34a_100015185251_200009817547 [0,2,0,0,0,0|1,0,0]=3 5382 B10R0.4 CC(C)COCCOCC=O 34a_100000703358_200009817547 [0,2,0,0,0,0|1,0,0]=3 5383 B10R0.4 CC(C)COCCOCC=O 7a_100000703358_200015260668 [0,2,0,0,0,0|1,0,0]=3 5384 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,2,0,0,0,0|1,0,0]=3 5385 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,2,0,0,0,0|1,0,0]=3 5386 B10R0.4 CC(C)CSCCOCC=O 34a_200000230437_200009817547 [0,2,0,0,0,0|1,0,0]=3 5387 B10R0.4 CC(C)CSCCOCC=O 7a_200000230437_200015260668 [0,2,0,0,0,0|1,0,0]=3 5388 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,2,0,0,0,0|1,0,0]=3 5389 B10R0.4 CC(C)NCCCCOCF 34a_100011521146_100015361967 [0,2,0,0,0,0|1,0,1]=4 5390 B10R0.4 CC(C)NCCCOCC=O 34a_100000182298_200009817547 [0,2,0,0,0,0|1,0,0]=3 5391 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,2,0,0,0,0|1,0,1]=4 5392 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,2,0,0,0,0|1,0,1]=4 5393 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,2,0,0,0,0|1,0,1]=4 5394 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,2,0,0,0,0|1,0,1]=4 5395 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,2,0,0,0,0|1,0,1]=4 5396 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,2,0,0,0,0|1,0,1]=4 5397 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,2,0,0,0,0|1,0,1]=4 5398 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,2,0,0,0,0|1,0,1]=4 5399 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,2,0,0,0,0|1,0,1]=4 5400 B10R0.4 CC(C)OCCCNCC=O 2230a_100000737246_200015260668 [0,2,0,0,0,0|2,0,0]=4 5401 B10R0.4 CC(C)OCCCNCC=O 34a_100000737246_200009817547 [0,2,0,0,0,0|2,0,0]=4 5402 B10R0.4 CC(C)OCSCCCC=O 62a_100000709892_200011292268 [0,2,0,0,0,0|2,0,0]=4 5403 B10R0.4 CC(C)OCSCCCC=O 62a_200011292268_100000709892 [0,2,0,0,0,0|2,0,0]=4 5404 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,2,0,0,0,0|1,0,0]=3 5405 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,2,0,0,0,0|1,0,0]=3 5406 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,2,0,0,0,0|1,0,0]=3 5407 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,2,0,0,0,0|1,0,0]=3 5408 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,2,0,0,0,0|1,0,0]=3 5409 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,2,0,0,0,0|1,0,0]=3 5410 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,2,0,0,0,0|1,0,0]=3 5411 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,2,0,0,0,0|1,0,0]=3 5412 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,2,0,0,0,0|0,0,2]=4 5413 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,2,0,0,0,0|0,0,2]=4 5414 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,2,0,0,0,0|0,0,2]=4 5415 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,2,0,0,0,0|0,0,2]=4 5416 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [0,2,0,0,0,0|0,0,2]=4 5417 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [0,2,0,0,0,0|0,0,2]=4 5418 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [0,2,0,0,0,0|0,0,2]=4 5419 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,2,0,0,0,0|0,0,2]=4 5420 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,2,0,0,0,0|0,0,2]=4 5421 B10R0.4 CC=CCCCOCC(C)C 34a_100020645299_100000210624 [0,2,0,0,0,0|2,0,0]=4 5422 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,2,0,0,0,0|2,0,0]=4 5423 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,2,0,0,0,0|2,0,0]=4 5424 B10R0.4 CC=CCNCCCC(C)C 2230a_200000737386_100000070051 [0,2,0,0,0,0|2,0,0]=4 5425 B10R0.4 CC=CCNCCCC(C)C 34a_200000737386_100000070051 [0,2,0,0,0,0|2,0,0]=4 5426 B10R0.4 CC=CCOCCCC(C)C 34a_100000210774_100000070051 [0,2,0,0,0,0|2,0,0]=4 5427 B10R0.4 CC=CCOCCCC(C)C 7a_100000210774_100000070051 [0,2,0,0,0,0|2,0,0]=4 5428 B10R0.4 CC=CCOCCOC(=O)N 7a_100000766696_100000070051 [0,2,0,0,0,0|0,0,2]=4 5429 B10R0.4 CC=CCSCCCC(C)C 62a_100000070051_100011214892 [0,2,0,0,0,0|2,0,0]=4 5430 B10R0.4 CC=CCSCCCC(C)C 62a_100011214892_100000070051 [0,2,0,0,0,0|2,0,0]=4 5431 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,2,0,0,0,0|2,0,0]=4 5432 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,2,0,0,0,0|2,0,0]=4 5433 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [0,2,0,0,0,0|0,0,2]=4 5434 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [0,2,0,0,0,0|0,0,2]=4 5435 B10R0.4 CC=CCSCCOC(=O)N 62a_100000070051_200011214921 [0,2,0,0,0,0|0,0,2]=4 5436 B10R0.4 CC=CCSCCOC(=O)N 62a_200011214921_100000070051 [0,2,0,0,0,0|0,0,2]=4 5437 B10R0.4 CCC#CCCOCC(=O)N 34a_100000036655_100000187820 [0,2,0,0,0,0|0,0,2]=4 5438 B10R0.4 CCC#CCCOCC(=O)N 7a_100000036655_100000187820 [0,2,0,0,0,0|0,0,2]=4 5439 B10R0.4 CCC#CCCOCC(=O)[O-] 34a_100000036655_100020667443 [0,2,0,0,0,0|0,0,2]=4 5440 B10R0.4 CCC#CCOCOC(=O)C 34a_100000032950_100009813279 [0,2,0,0,0,0|0,0,2]=4 5441 B10R0.4 CCC#CCSCOC(=O)C 62a_100000076356_100009813939 [0,2,0,0,0,0|0,0,2]=4 5442 B10R0.4 CCC#CCSCOC(=O)C 62a_100009813939_100000076356 [0,2,0,0,0,0|0,0,2]=4 5443 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,2,0,0,0,0|0,0,2]=4 5444 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,2,0,0,0,0|0,0,2]=4 5445 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,2,0,0,0,0|0,0,2]=4 5446 B10R0.4 CCCC#CCOCC(=O)N 34a_100000034806_100000187820 [0,2,0,0,0,0|0,0,2]=4 5447 B10R0.4 CCCC#CCOCC(=O)N 7a_100000034806_100000187820 [0,2,0,0,0,0|0,0,2]=4 5448 B10R0.4 CCCC#CCOCC(=O)[O-] 34a_100000034806_100020667443 [0,2,0,0,0,0|0,0,2]=4 5449 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,2,0,0,0,0|1,0,1]=4 5450 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,2,0,0,0,0|1,0,1]=4 5451 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,2,0,0,0,0|1,0,1]=4 5452 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,2,0,0,0,0|1,0,1]=4 5453 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,2,0,0,0,0|1,0,0]=3 5454 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,2,0,0,0,0|1,0,0]=3 5455 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,2,0,0,0,0|1,0,0]=3 5456 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,2,0,0,0,0|1,0,0]=3 5457 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,2,0,0,0,0|1,0,0]=3 5458 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,2,0,0,0,0|1,0,0]=3 5459 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,2,0,0,0,0|1,0,0]=3 5460 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,2,0,0,0,0|1,0,0]=3 5461 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,2,0,0,0,0|1,0,0]=3 5462 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,2,0,0,0,0|1,0,1]=4 5463 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,2,0,0,0,0|1,0,1]=4 5464 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,2,0,0,0,0|1,0,1]=4 5465 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,2,0,0,0,0|1,0,0]=3 5466 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,2,0,0,0,0|1,0,0]=3 5467 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,2,0,0,0,0|1,0,0]=3 5468 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,0,0,0,0|0,0,0]=2 5469 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,2,0,0,0,0|0,0,0]=2 5470 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,2,0,0,0,0|0,0,0]=2 5471 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,2,0,0,0,0|0,0,0]=2 5472 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,2,0,0,0,0|1,0,1]=4 5473 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,2,0,0,0,0|1,0,1]=4 5474 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,2,0,0,0,0|1,0,1]=4 5475 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,2,0,0,0,0|1,0,1]=4 5476 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,2,0,0,0,0|1,0,1]=4 5477 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,2,0,0,0,0|0,0,2]=4 5478 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,2,0,0,0,0|0,0,2]=4 5479 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,2,0,0,0,0|1,0,1]=4 5480 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,2,0,0,0,0|1,0,1]=4 5481 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,2,0,0,0,0|1,0,1]=4 5482 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,2,0,0,0,0|1,0,1]=4 5483 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,2,0,0,0,0|1,0,1]=4 5484 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,2,0,0,0,0|0,0,2]=4 5485 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,2,0,0,0,0|0,0,2]=4 5486 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,2,0,0,0,0|0,0,1]=3 5487 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,2,0,0,0,0|0,1,0]=3 5488 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,2,0,0,0,0|0,1,0]=3 5489 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,2,0,0,0,0|0,1,0]=3 5490 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,2,0,0,0,0|0,1,0]=3 5491 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,2,0,0,0,0|0,1,1]=4 5492 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,2,0,0,0,0|2,0,0]=4 5493 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,2,0,0,0,0|2,0,0]=4 5494 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,2,0,0,0,0|1,0,0]=3 5495 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [0,2,0,0,0,0|1,0,1]=4 5496 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,2,0,0,0,0|1,0,0]=3 5497 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,2,0,0,0,0|2,0,0]=4 5498 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,2,0,0,0,0|2,0,0]=4 5499 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,2,0,0,0,0|2,0,0]=4 5500 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|1,0,0]=3 5501 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|1,0,0]=3 5502 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|1,0,0]=3 5503 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,2,0,0,0,0|1,0,0]=3 5504 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,2,0,0,0,0|1,0,0]=3 5505 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,2,0,0,0,0|1,0,0]=3 5506 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,2,0,0,0,0|1,0,0]=3 5507 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,2,0,0,0,0|0,0,0]=2 5508 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [0,2,0,0,0,0|1,0,1]=4 5509 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,2,0,0,0,0|2,0,0]=4 5510 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,2,0,0,0,0|2,0,0]=4 5511 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,2,0,0,0,0|1,0,0]=3 5512 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,2,0,0,0,0|1,0,0]=3 5513 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,2,0,0,0,0|1,0,0]=3 5514 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,2,0,0,0,0|1,0,0]=3 5515 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,2,0,0,0,0|0,0,0]=2 5516 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,2,0,0,0,0|0,0,0]=2 5517 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [0,2,0,0,0,0|1,0,1]=4 5518 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [0,2,0,0,0,0|1,0,1]=4 5519 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,2,0,0,0,0|2,0,0]=4 5520 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,2,0,0,0,0|2,0,0]=4 5521 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,2,0,0,0,0|2,0,0]=4 5522 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,2,0,0,0,0|2,0,0]=4 5523 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,2,0,0,0,0|1,0,0]=3 5524 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,2,0,0,0,0|1,0,0]=3 5525 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,2,0,0,0,0|1,0,0]=3 5526 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,2,0,0,0,0|2,0,0]=4 5527 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,2,0,0,0,0|1,0,0]=3 5528 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,2,0,0,0,0|1,0,0]=3 5529 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,2,0,0,0,0|1,0,0]=3 5530 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,2,0,0,0,0|1,0,0]=3 5531 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,2,0,0,0,0|1,0,0]=3 5532 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,2,0,0,0,0|1,0,0]=3 5533 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,0,0,0,0|0,0,0]=2 5534 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,2,0,0,0,0|0,0,0]=2 5535 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [0,2,0,0,0,0|1,0,1]=4 5536 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [0,2,0,0,0,0|1,0,1]=4 5537 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [0,2,0,0,0,0|1,0,1]=4 5538 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [0,2,0,0,0,0|1,0,1]=4 5539 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,2,0,0,0,0|2,0,0]=4 5540 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,2,0,0,0,0|2,0,0]=4 5541 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,2,0,0,0,0|2,0,0]=4 5542 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,2,0,0,0,0|2,0,0]=4 5543 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,0,0,0,0|1,0,0]=3 5544 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,0,0,0,0|1,0,0]=3 5545 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,0,0,0,0|1,0,0]=3 5546 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,0,0,0,0|1,0,0]=3 5547 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,2,0,0,0,0|1,0,0]=3 5548 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,2,0,0,0,0|1,0,0]=3 5549 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,2,0,0,0,0|2,0,0]=4 5550 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,2,0,0,0,0|1,0,0]=3 5551 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,2,0,0,0,0|1,0,0]=3 5552 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,2,0,0,0,0|1,0,0]=3 5553 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,2,0,0,0,0|1,0,0]=3 5554 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,0,0,0,0|0,0,0]=2 5555 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,0,0,0,0|0,0,0]=2 5556 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,2,0,0,0,0|0,0,0]=2 5557 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,2,0,0,0,0|0,0,0]=2 5558 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,2,0,0,0,0|0,0,0]=2 5559 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [0,2,0,0,0,0|1,0,1]=4 5560 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [0,2,0,0,0,0|1,0,1]=4 5561 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [0,2,0,0,0,0|1,0,1]=4 5562 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [0,2,0,0,0,0|1,0,1]=4 5563 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [0,2,0,0,0,0|1,0,1]=4 5564 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [0,2,0,0,0,0|1,0,1]=4 5565 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [0,2,0,0,0,0|1,0,1]=4 5566 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,2,0,0,0,0|2,0,0]=4 5567 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,2,0,0,0,0|2,0,0]=4 5568 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,0,0,0,0|1,0,0]=3 5569 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,2,0,0,0,0|1,1,0]=4 5570 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,2,0,0,0,0|1,1,0]=4 5571 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,2,0,0,0,0|1,1,0]=4 5572 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,2,0,0,0,0|1,1,0]=4 5573 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,2,0,0,0,0|2,0,0]=4 5574 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,2,0,0,0,0|2,0,0]=4 5575 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,2,0,0,0,0|2,0,0]=4 5576 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,2,0,0,0,0|2,0,0]=4 5577 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,2,0,0,0,0|1,0,0]=3 5578 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,2,0,0,0,0|1,0,0]=3 5579 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,2,0,0,0,0|1,0,0]=3 5580 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,2,0,0,0,0|1,0,0]=3 5581 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,2,0,0,0,0|1,0,0]=3 5582 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,2,0,0,0,0|1,0,0]=3 5583 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,2,0,0,0,0|1,0,0]=3 5584 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,2,0,0,0,0|1,0,0]=3 5585 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,2,0,0,0,0|1,0,0]=3 5586 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,2,0,0,0,0|1,0,0]=3 5587 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,2,0,0,0,0|1,0,0]=3 5588 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,2,0,0,0,0|1,0,0]=3 5589 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,0,0,0,0|0,0,0]=2 5590 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,0,0,0,0|0,0,0]=2 5591 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,2,0,0,0,0|0,0,0]=2 5592 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,2,0,0,0,0|0,0,0]=2 5593 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [0,2,0,0,0,0|1,0,1]=4 5594 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [0,2,0,0,0,0|1,0,1]=4 5595 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [0,2,0,0,0,0|1,0,1]=4 5596 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [0,2,0,0,0,0|1,0,1]=4 5597 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,2,0,0,0,0|1,0,0]=3 5598 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,2,0,0,0,0|1,0,0]=3 5599 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [0,2,0,0,0,0|1,0,1]=4 5600 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [0,2,0,0,0,0|1,0,1]=4 5601 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,2,0,0,0,0|1,0,0]=3 5602 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,2,0,0,0,0|1,0,0]=3 5603 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,2,0,0,0,0|1,0,0]=3 5604 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,2,0,0,0,0|1,0,0]=3 5605 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,2,0,0,0,0|1,0,1]=4 5606 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,2,0,0,0,0|1,0,1]=4 5607 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,2,0,0,0,0|1,0,1]=4 5608 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,2,0,0,0,0|2,0,0]=4 5609 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,2,0,0,0,0|2,0,0]=4 5610 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,2,0,0,0,0|1,0,0]=3 5611 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,2,0,0,0,0|1,0,0]=3 5612 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,2,0,0,0,0|1,0,0]=3 5613 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,2,0,0,0,0|1,0,0]=3 5614 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,2,0,0,0,0|0,0,0]=2 5615 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,2,0,0,0,0|0,1,0]=3 5616 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,2,0,0,0,0|0,1,0]=3 5617 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,2,0,0,0,0|2,0,0]=4 5618 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,2,0,0,0,0|2,0,0]=4 5619 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,2,0,0,0,0|2,0,0]=4 5620 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,2,0,0,0,0|2,0,0]=4 5621 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,2,0,0,0,0|2,0,0]=4 5622 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,2,0,0,0,0|1,0,0]=3 5623 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,2,0,0,0,0|1,0,0]=3 5624 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,2,0,0,0,0|1,0,0]=3 5625 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,2,0,0,0,0|1,0,0]=3 5626 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,2,0,0,0,0|1,0,0]=3 5627 B10R0.4 CCCOCCOC[N+](=O)[O-] 34a_100000752267_100000761209 [0,2,0,0,0,0|1,0,1]=4 5628 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,2,0,0,0,0|1,1,0]=4 5629 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,2,0,0,0,0|1,1,0]=4 5630 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,2,0,0,0,0|1,1,0]=4 5631 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,2,0,0,0,0|1,1,0]=4 5632 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,2,0,0,0,0|1,0,0]=3 5633 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,2,0,0,0,0|1,0,0]=3 5634 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,2,0,0,0,0|0,0,0]=2 5635 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,2,0,0,0,0|0,0,0]=2 5636 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,2,0,0,0,0|0,1,0]=3 5637 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,2,0,0,0,0|0,1,0]=3 5638 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,2,0,0,0,0|0,1,0]=3 5639 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,2,0,0,0,0|0,1,0]=3 5640 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,2,0,0,0,0|2,0,0]=4 5641 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,2,0,0,0,0|1,0,0]=3 5642 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,2,0,0,0,0|1,0,0]=3 5643 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,2,0,0,0,0|1,0,0]=3 5644 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,2,0,0,0,0|1,0,0]=3 5645 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,2,0,0,0,0|1,0,0]=3 5646 B10R0.4 CCCSCCOC[N+](=O)[O-] 34a_200000230433_100000761209 [0,2,0,0,0,0|1,0,1]=4 5647 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,2,0,0,0,0|1,0,0]=3 5648 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,2,0,0,0,0|1,0,0]=3 5649 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,2,0,0,0,0|1,0,0]=3 5650 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,2,0,0,0,0|0,1,0]=3 5651 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,2,0,0,0,0|1,0,0]=3 5652 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,2,0,0,0,0|1,0,0]=3 5653 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,2,0,0,0,0|1,0,0]=3 5654 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,2,0,0,0,0|1,0,0]=3 5655 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,2,0,0,0,0|1,0,1]=4 5656 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,2,0,0,0,0|1,0,1]=4 5657 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,2,0,0,0,0|1,0,1]=4 5658 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [0,2,0,0,0,0|1,0,1]=4 5659 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,2,0,0,0,0|0,0,0]=2 5660 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,2,0,0,0,0|0,0,0]=2 5661 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,2,0,0,0,0|0,0,0]=2 5662 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [0,2,0,0,0,0|1,0,0]=3 5663 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,2,0,0,0,0|0,1,0]=3 5664 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,2,0,0,0,0|2,0,0]=4 5665 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,2,0,0,0,0|2,0,0]=4 5666 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,2,0,0,0,0|2,0,0]=4 5667 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,2,0,0,0,0|2,0,0]=4 5668 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,2,0,0,0,0|2,0,0]=4 5669 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [0,2,0,0,0,0|1,0,1]=4 5670 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [0,2,0,0,0,0|1,0,1]=4 5671 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [0,2,0,0,0,0|1,0,1]=4 5672 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [0,2,0,0,0,0|1,0,1]=4 5673 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [0,2,0,0,0,0|1,0,1]=4 5674 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,2,0,0,0,0|1,0,1]=4 5675 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,2,0,0,0,0|1,0,1]=4 5676 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,2,0,0,0,0|1,0,1]=4 5677 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,2,0,0,0,0|1,0,1]=4 5678 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,2,0,0,0,0|1,0,1]=4 5679 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,2,0,0,0,0|1,0,1]=4 5680 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,2,0,0,0,0|1,0,0]=3 5681 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,2,0,0,0,0|1,0,0]=3 5682 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,2,0,0,0,0|1,0,0]=3 5683 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,2,0,0,0,0|1,0,0]=3 5684 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [0,2,0,0,0,0|1,0,1]=4 5685 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [0,2,0,0,0,0|1,0,1]=4 5686 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [0,2,0,0,0,0|1,0,1]=4 5687 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [0,2,0,0,0,0|1,0,1]=4 5688 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [0,2,0,0,0,0|1,0,1]=4 5689 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,2,0,0,0,0|1,0,1]=4 5690 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,2,0,0,0,0|1,0,1]=4 5691 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [0,2,0,0,0,0|1,0,1]=4 5692 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [0,2,0,0,0,0|1,0,1]=4 5693 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,2,0,0,0,0|1,0,1]=4 5694 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,2,0,0,0,0|1,0,1]=4 5695 B10R0.4 CCOCCCOC[N+](=O)[O-] 34a_100000757476_100000761209 [0,2,0,0,0,0|1,0,1]=4 5696 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,2,0,0,0,0|1,1,0]=4 5697 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,2,0,0,0,0|1,1,0]=4 5698 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,2,0,0,0,0|1,1,0]=4 5699 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,2,0,0,0,0|1,1,0]=4 5700 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [0,2,0,0,0,0|1,0,1]=4 5701 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [0,2,0,0,0,0|1,0,1]=4 5702 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,2,0,0,0,0|1,0,1]=4 5703 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,2,0,0,0,0|1,0,1]=4 5704 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,2,0,0,0,0|1,0,1]=4 5705 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,2,0,0,0,0|1,0,1]=4 5706 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,2,0,0,0,0|2,0,0]=4 5707 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,2,0,0,0,0|2,0,0]=4 5708 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [0,2,0,0,0,0|1,0,1]=4 5709 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [0,2,0,0,0,0|1,0,1]=4 5710 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [0,2,0,0,0,0|1,0,1]=4 5711 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,2,0,0,0,0|1,0,1]=4 5712 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,2,0,0,0,0|1,0,1]=4 5713 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,2,0,0,0,0|1,0,1]=4 5714 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,2,0,0,0,0|1,0,0]=3 5715 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,2,0,0,0,0|2,0,0]=4 5716 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,2,0,0,0,0|2,0,0]=4 5717 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,2,0,0,0,0|2,0,0]=4 5718 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,2,0,0,0,0|2,0,0]=4 5719 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,2,0,0,0,0|2,0,0]=4 5720 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,2,0,0,0,0|2,0,0]=4 5721 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,2,0,0,0,0|2,0,0]=4 5722 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,2,0,0,0,0|2,0,0]=4 5723 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,2,0,0,0,0|2,0,0]=4 5724 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [0,2,0,0,0,0|1,0,1]=4 5725 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [0,2,0,0,0,0|1,0,1]=4 5726 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [0,2,0,0,0,0|1,0,1]=4 5727 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [0,2,0,0,0,0|1,0,1]=4 5728 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [0,2,0,0,0,0|1,0,1]=4 5729 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,2,0,0,0,0|1,0,1]=4 5730 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,2,0,0,0,0|1,0,1]=4 5731 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [0,2,0,0,0,0|1,0,1]=4 5732 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,2,0,0,0,0|1,0,0]=3 5733 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,2,0,0,0,0|2,0,0]=4 5734 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,2,0,0,0,0|2,0,0]=4 5735 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,2,0,0,0,0|2,0,0]=4 5736 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,2,0,0,0,0|2,0,0]=4 5737 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [0,2,0,0,0,0|1,0,1]=4 5738 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [0,2,0,0,0,0|1,0,1]=4 5739 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,2,0,0,0,0|1,0,1]=4 5740 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,2,0,0,0,0|1,0,1]=4 5741 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,2,0,0,0,0|1,0,0]=3 5742 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,2,0,0,0,0|1,0,0]=3 5743 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,2,0,0,0,0|1,0,0]=3 5744 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,2,0,0,0,0|2,0,0]=4 5745 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,2,0,0,0,0|2,0,0]=4 5746 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,2,0,0,0,0|2,0,0]=4 5747 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,2,0,0,0,0|2,0,0]=4 5748 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [0,2,0,0,0,0|1,0,1]=4 5749 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [0,2,0,0,0,0|1,0,1]=4 5750 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,2,0,0,0,0|1,0,1]=4 5751 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,2,0,0,0,0|1,0,1]=4 5752 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,2,0,0,0,0|2,0,0]=4 5753 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,2,0,0,0,0|2,0,0]=4 5754 B10R0.4 CCOCSCCNC(=O)N 62a_100000739092_200000034859 [0,2,0,0,0,0|2,0,0]=4 5755 B10R0.4 CCOCSCCNC(=O)N 62a_200000034859_100000739092 [0,2,0,0,0,0|2,0,0]=4 5756 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,2,0,0,0,0|1,0,0]=3 5757 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,2,0,0,0,0|1,0,0]=3 5758 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,2,0,0,0,0|1,0,0]=3 5759 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,2,0,0,0,0|1,0,0]=3 5760 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,2,0,0,0,0|1,0,0]=3 5761 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,2,0,0,0,0|1,0,0]=3 5762 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,2,0,0,0,0|0,0,0]=2 5763 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,2,0,0,0,0|0,0,0]=2 5764 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,2,0,0,0,0|1,0,0]=3 5765 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,2,0,0,0,0|0,1,0]=3 5766 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,2,0,0,0,0|0,1,0]=3 5767 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,2,0,0,0,0|1,0,0]=3 5768 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,2,0,0,0,0|1,0,0]=3 5769 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,2,0,0,0,0|1,0,0]=3 5770 B10R0.4 CCSCCCOC[N+](=O)[O-] 34a_100011216438_100000761209 [0,2,0,0,0,0|1,0,1]=4 5771 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,2,0,0,0,0|2,0,0]=4 5772 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,2,0,0,0,0|2,0,0]=4 5773 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,2,0,0,0,0|2,0,0]=4 5774 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,2,0,0,0,0|2,0,0]=4 5775 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,2,0,0,0,0|2,0,0]=4 5776 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,2,0,0,0,0|2,0,0]=4 5777 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,2,0,0,0,0|2,0,0]=4 5778 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,2,0,0,0,0|2,0,0]=4 5779 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,2,0,0,0,0|2,0,0]=4 5780 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,2,0,0,0,0|1,0,0]=3 5781 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,2,0,0,0,0|2,0,0]=4 5782 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,2,0,0,0,0|2,0,0]=4 5783 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,2,0,0,0,0|2,0,0]=4 5784 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,2,0,0,0,0|2,0,0]=4 5785 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,2,0,0,0,0|1,0,0]=3 5786 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,2,0,0,0,0|1,0,0]=3 5787 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,2,0,0,0,0|1,0,0]=3 5788 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,2,0,0,0,0|1,0,0]=3 5789 B10R0.4 CN(C)CCCCSCC=O 62a_200015260668_100000690147 [0,2,0,0,0,0|1,1,0]=4 5790 B10R0.4 CN(C)CCSCCCC=O 62a_200011292268_100000755713 [0,2,0,0,0,0|2,0,0]=4 5791 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,2,0,0,0,0|1,0,0]=3 5792 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,2,0,0,0,0|1,0,0]=3 5793 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,0,0,0,0|0,0,0]=2 5794 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,0,0,0,0|0,0,0]=2 5795 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,0,0,0,0|0,0,0]=2 5796 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,2,0,0,0,0|1,0,1]=4 5797 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,2,0,0,0,0|2,0,0]=4 5798 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,2,0,0,0,0|1,0,0]=3 5799 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,2,0,0,0,0|1,0,0]=3 5800 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,2,0,0,0,0|1,0,0]=3 5801 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,2,0,0,0,0|1,0,0]=3 5802 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,0,0,0,0|1,0,0]=3 5803 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,0,0,0,0|1,0,0]=3 5804 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,0,0,0,0|1,0,0]=3 5805 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,0,0,0,0|1,0,0]=3 5806 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,0,0,0,0|1,0,0]=3 5807 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|0,0,0]=2 5808 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,2,0,0,0,0|2,0,0]=4 5809 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,2,0,0,0,0|2,0,0]=4 5810 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|1,0,0]=3 5811 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,2,0,0,0,0|1,0,0]=3 5812 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,2,0,0,0,0|1,0,0]=3 5813 B10R0.4 COCCCCOC[N+](=O)[O-] 34a_100000740925_100000761209 [0,2,0,0,0,0|1,0,1]=4 5814 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,2,0,0,0,0|1,1,0]=4 5815 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,2,0,0,0,0|1,1,0]=4 5816 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,2,0,0,0,0|1,1,0]=4 5817 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,2,0,0,0,0|1,1,0]=4 5818 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,2,0,0,0,0|2,0,0]=4 5819 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,2,0,0,0,0|1,0,0]=3 5820 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,2,0,0,0,0|2,0,0]=4 5821 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|2,0,0]=4 5822 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|2,0,0]=4 5823 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,2,0,0,0,0|2,0,0]=4 5824 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,2,0,0,0,0|2,0,0]=4 5825 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,2,0,0,0,0|2,0,0]=4 5826 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,2,0,0,0,0|1,0,0]=3 5827 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,2,0,0,0,0|2,0,0]=4 5828 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,2,0,0,0,0|2,0,0]=4 5829 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,2,0,0,0,0|2,0,0]=4 5830 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,2,0,0,0,0|2,0,0]=4 5831 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,2,0,0,0,0|1,0,0]=3 5832 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,2,0,0,0,0|1,0,0]=3 5833 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,2,0,0,0,0|2,0,0]=4 5834 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,2,0,0,0,0|2,0,0]=4 5835 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,2,0,0,0,0|2,0,0]=4 5836 B10R0.4 COCCNCCNC(=O)N 2230a_100000209980_200000034859 [0,2,0,0,0,0|2,0,0]=4 5837 B10R0.4 COCCNCCNC(=O)N 34a_100020590234_100011201679 [0,2,0,0,0,0|2,0,0]=4 5838 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,2,0,0,0,0|2,0,0]=4 5839 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,2,0,0,0,0|2,0,0]=4 5840 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,2,0,0,0,0|2,0,0]=4 5841 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,2,0,0,0,0|2,0,0]=4 5842 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,2,0,0,0,0|2,0,0]=4 5843 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,2,0,0,0,0|2,0,0]=4 5844 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,2,0,0,0,0|2,0,0]=4 5845 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,2,0,0,0,0|2,0,0]=4 5846 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,2,0,0,0,0|2,0,0]=4 5847 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,2,0,0,0,0|2,0,0]=4 5848 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,2,0,0,0,0|2,0,0]=4 5849 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,2,0,0,0,0|1,0,0]=3 5850 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,2,0,0,0,0|1,0,0]=3 5851 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,2,0,0,0,0|1,0,0]=3 5852 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,2,0,0,0,0|1,0,0]=3 5853 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,2,0,0,0,0|2,0,0]=4 5854 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,2,0,0,0,0|2,0,0]=4 5855 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,2,0,0,0,0|2,0,0]=4 5856 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,2,0,0,0,0|2,0,0]=4 5857 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,2,0,0,0,0|2,0,0]=4 5858 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,2,0,0,0,0|2,0,0]=4 5859 B10R0.4 COCCSCCNC(=O)N 62a_100000233755_200000034859 [0,2,0,0,0,0|2,0,0]=4 5860 B10R0.4 COCCSCCNC(=O)N 62a_200000034859_100000233755 [0,2,0,0,0,0|2,0,0]=4 5861 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,2,0,0,0,0|1,0,0]=3 5862 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,2,0,0,0,0|1,0,0]=3 5863 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,2,0,0,0,0|1,0,0]=3 5864 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,2,0,0,0,0|1,0,0]=3 5865 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,2,0,0,0,0|2,0,0]=4 5866 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,2,0,0,0,0|2,0,0]=4 5867 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,2,0,0,0,0|2,0,0]=4 5868 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,2,0,0,0,0|1,0,0]=3 5869 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,2,0,0,0,0|1,0,0]=3 5870 B10R0.4 COCSCCCOC(=S)C 62a_100000766300_200135323944 [0,2,0,0,0,0|1,1,0]=4 5871 B10R0.4 COCSCCCOC(=S)C 62a_200135323944_100000766300 [0,2,0,0,0,0|1,1,0]=4 5872 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,2,0,0,0,0|1,1,0]=4 5873 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,2,0,0,0,0|1,1,0]=4 5874 B10R0.4 COCSCCOCC(=O)N 62a_100000076697_100000766300 [0,2,0,0,0,0|2,0,0]=4 5875 B10R0.4 COCSCCOCC(=O)N 62a_100000766300_100000076697 [0,2,0,0,0,0|2,0,0]=4 5876 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,0,0,0,0|0,0,0]=2 5877 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,0,0,0,0|0,0,0]=2 5878 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,2,0,0,0,0|1,0,0]=3 5879 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,2,0,0,0,0|1,0,0]=3 5880 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,2,0,0,0,0|1,0,0]=3 5881 B10R0.4 CSCCCCOC[N+](=O)[O-] 34a_100011217163_100000761209 [0,2,0,0,0,0|1,0,1]=4 5882 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,2,0,0,0,0|2,0,0]=4 5883 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,2,0,0,0,0|2,0,0]=4 5884 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,2,0,0,0,0|2,0,0]=4 5885 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,2,0,0,0,0|2,0,0]=4 5886 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,2,0,0,0,0|1,0,0]=3 5887 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,2,0,0,0,0|2,0,0]=4 5888 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,2,0,0,0,0|2,0,0]=4 5889 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,2,0,0,0,0|2,0,0]=4 5890 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [0,2,0,0,0,0|2,0,0]=4 5891 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [0,2,0,0,0,0|2,0,0]=4 5892 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,2,0,0,0,0|2,0,0]=4 5893 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,2,0,0,0,0|2,0,0]=4 5894 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,2,0,0,0,0|2,0,0]=4 5895 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,2,0,0,0,0|2,0,0]=4 5896 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,2,0,0,0,0|2,0,0]=4 5897 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,2,0,0,0,0|2,0,0]=4 5898 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,2,0,0,0,0|2,0,0]=4 5899 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,2,0,0,0,0|2,0,0]=4 5900 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,2,0,0,0,0|2,0,0]=4 5901 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,2,0,0,0,0|2,0,0]=4 5902 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,2,0,0,0,0|1,0,0]=3 5903 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,2,0,0,0,0|1,0,0]=3 5904 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,2,0,0,0,0|1,0,0]=3 5905 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,2,0,0,0,0|1,0,0]=3 5906 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,2,0,0,0,0|1,0,0]=3 5907 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,2,0,0,0,0|1,0,0]=3 5908 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,2,0,0,0,0|1,0,0]=3 5909 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,2,0,0,0,0|2,0,0]=4 5910 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,2,0,0,0,0|2,0,0]=4 5911 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,2,0,0,0,0|2,0,0]=4 5912 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,2,0,0,0,0|2,0,0]=4 5913 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,2,0,0,0,0|2,0,0]=4 5914 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,2,0,0,0,0|2,0,0]=4 5915 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [0,2,0,0,0,0|2,0,0]=4 5916 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [0,2,0,0,0,0|2,0,0]=4 5917 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,2,0,0,0,0|1,0,0]=3 5918 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,2,0,0,0,0|1,0,0]=3 5919 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,2,0,0,0,0|1,0,0]=3 5920 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,2,0,0,0,0|1,0,0]=3 5921 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,2,0,0,0,0|2,0,0]=4 5922 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,2,0,0,0,0|2,0,0]=4 5923 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,2,0,0,0,0|2,0,0]=4 5924 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,2,0,0,0,0|2,0,0]=4 5925 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [0,2,0,0,0,0|0,1,1]=4 5926 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,2,0,0,0,0|2,0,0]=4 5927 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,2,0,0,0,0|2,0,0]=4 5928 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,2,0,0,0,0|2,0,0]=4 5929 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,2,0,0,0,0|1,0,0]=3 5930 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,2,0,0,0,0|1,0,0]=3 5931 B10R0.4 CSCSCCCOC(=S)C 62a_100011218213_200135323944 [0,2,0,0,0,0|1,1,0]=4 5932 B10R0.4 CSCSCCCOC(=S)C 62a_200135323944_100011218213 [0,2,0,0,0,0|1,1,0]=4 5933 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,2,0,0,0,0|1,1,0]=4 5934 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,2,0,0,0,0|1,1,0]=4 5935 B10R0.4 CSCSCCOCC(=O)N 62a_100000076697_100011218213 [0,2,0,0,0,0|2,0,0]=4 5936 B10R0.4 CSCSCCOCC(=O)N 62a_100011218213_100000076697 [0,2,0,0,0,0|2,0,0]=4 5937 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,2,0,0,0,0|1,0,0]=3 5938 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,2,0,0,0,0|1,0,0]=3 5939 B10R0.4 N#CCCOCCOC(=O)N 7a_100000766696_100000184422 [0,2,0,0,0,0|1,0,1]=4 5940 B10R0.4 N#CCCSCCOC(=O)N 62a_100011215226_200011214921 [0,2,0,0,0,0|1,0,1]=4 5941 B10R0.4 N#CCCSCCOC(=O)N 62a_200011214921_100011215226 [0,2,0,0,0,0|1,0,1]=4 5942 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,2,0,0,0,0|2,0,0]=4 5943 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,2,0,0,0,0|2,0,0]=4 5944 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,2,0,0,0,0|2,0,0]=4 5945 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,2,0,0,0,0|2,0,0]=4 5946 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,2,0,0,0,0|2,0,0]=4 5947 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,2,0,0,0,0|2,0,0]=4 5948 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [0,2,0,0,0,0|1,0,1]=4 5949 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [0,2,0,0,0,0|1,0,1]=4 5950 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,2,0,0,0,0|2,0,0]=4 5951 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,2,0,0,0,0|2,0,0]=4 5952 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,2,0,0,0,0|2,0,0]=4 5953 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,2,0,0,0,0|2,0,0]=4 5954 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,2,0,0,0,0|2,0,0]=4 5955 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,2,0,0,0,0|2,0,0]=4 5956 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,2,0,0,0,0|2,0,0]=4 5957 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,2,0,0,0,0|2,0,0]=4 5958 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,2,0,0,0,0|2,0,0]=4 5959 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,2,0,0,0,0|2,0,0]=4 5960 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,2,0,0,0,0|2,0,0]=4 5961 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,2,0,0,0,0|2,0,0]=4 5962 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,2,0,0,0,0|2,0,0]=4 5963 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,2,0,0,0,0|2,0,0]=4 5964 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,2,0,0,0,0|2,0,0]=4 5965 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,2,0,0,0,0|2,0,0]=4 5966 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,2,0,0,0,0|2,0,0]=4 5967 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,2,0,0,0,0|2,0,0]=4 5968 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,2,0,0,0,0|2,0,0]=4 5969 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,2,0,0,0,0|2,0,0]=4 5970 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,2,0,0,0,0|2,0,0]=4 5971 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,2,0,0,0,0|2,0,0]=4 5972 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,2,0,0,0,0|2,0,0]=4 5973 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,2,0,0,0,0|2,0,0]=4 5974 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,2,0,0,0,0|2,0,0]=4 5975 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,2,0,0,0,0|2,0,0]=4 5976 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,2,0,0,0,0|2,0,0]=4 5977 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,2,0,0,0,0|2,0,0]=4 5978 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,2,0,0,0,0|2,0,0]=4 5979 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,2,0,0,0,0|2,0,0]=4 5980 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,2,0,0,0,0|2,0,0]=4 5981 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,2,0,0,0,0|2,0,0]=4 5982 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,2,0,0,0,0|2,0,0]=4 5983 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,2,0,0,0,0|2,0,0]=4 5984 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,2,0,0,0,0|1,0,0]=3 5985 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,2,0,0,0,0|1,0,0]=3 5986 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,2,0,0,0,0|1,0,0]=3 5987 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,2,0,0,0,0|1,0,0]=3 5988 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,2,0,0,0,0|1,0,0]=3 5989 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,2,0,0,0,0|1,0,0]=3 5990 B10R0.4 NC(=O)COCCNCCF 34a_100000724931_100000076697 [0,2,0,0,0,0|2,0,0]=4 5991 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [0,2,0,0,0,0|2,0,0]=4 5992 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [0,2,0,0,0,0|2,0,0]=4 5993 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [0,2,0,0,0,0|2,0,0]=4 5994 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [0,2,0,0,0,0|2,0,0]=4 5995 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [0,2,0,0,0,0|2,0,0]=4 5996 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [0,2,0,0,0,0|2,0,0]=4 5997 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [0,2,0,0,0,0|2,0,0]=4 5998 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [0,2,0,0,0,0|2,0,0]=4 5999 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [0,2,0,0,0,0|2,0,0]=4 6000 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [0,2,0,0,0,0|2,0,0]=4 6001 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [0,2,0,0,0,0|2,0,0]=4 6002 B10R0.4 NC(=O)COCCSCCF 62a_100000076697_100011217306 [0,2,0,0,0,0|2,0,0]=4 6003 B10R0.4 NC(=O)COCCSCCF 62a_100011217306_100000076697 [0,2,0,0,0,0|2,0,0]=4 6004 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [0,2,0,0,0,0|2,0,0]=4 6005 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [0,2,0,0,0,0|2,0,0]=4 6006 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,2,0,0,0,0|1,1,0]=4 6007 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,2,0,0,0,0|1,1,0]=4 6008 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,2,0,0,0,0|1,1,0]=4 6009 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,2,0,0,0,0|1,1,0]=4 6010 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [0,2,0,0,0,0|2,0,0]=4 6011 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [0,2,0,0,0,0|2,0,0]=4 6012 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,2,0,0,0,0|2,0,0]=4 6013 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,2,0,0,0,0|2,0,0]=4 6014 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,2,0,0,0,0|2,0,0]=4 6015 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [0,2,0,0,0,0|2,0,0]=4 6016 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [0,2,0,0,0,0|2,0,0]=4 6017 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,2,0,0,0,0|2,0,0]=4 6018 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,2,0,0,0,0|2,0,0]=4 6019 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,2,0,0,0,0|1,0,0]=3 6020 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,2,0,0,0,0|1,0,0]=3 6021 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,2,0,0,0,0|1,0,0]=3 6022 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,2,0,0,0,0|1,0,0]=3 6023 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,2,0,0,0,0|1,0,0]=3 6024 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,2,0,0,0,0|1,0,0]=3 6025 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,2,0,0,0,0|1,0,0]=3 6026 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,2,0,0,0,0|1,0,0]=3 6027 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,2,0,0,0,0|1,0,0]=3 6028 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,2,0,0,0,0|1,0,0]=3 6029 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,2,0,0,0,0|1,0,0]=3 6030 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,2,0,0,0,0|1,0,0]=3 6031 B10R0.4 NCCCCCOC[N+](=O)[O-] 34a_100000762737_100000761209 [0,2,0,0,0,0|1,0,1]=4 6032 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,2,0,0,0,0|2,0,0]=4 6033 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,2,0,0,0,0|2,0,0]=4 6034 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,2,0,0,0,0|1,0,0]=3 6035 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [0,2,0,0,0,0|2,0,0]=4 6036 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [0,2,0,0,0,0|2,0,0]=4 6037 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,2,0,0,0,0|2,0,0]=4 6038 B10R0.4 NOCCOCCOC(=O)N 34a_100000700252_200011214921 [0,2,0,0,0,0|2,0,0]=4 6039 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,2,0,0,0,0|2,0,0]=4 6040 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,2,0,0,0,0|2,0,0]=4 6041 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,2,0,0,0,0|2,0,0]=4 6042 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,2,0,0,0,0|2,0,0]=4 6043 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,2,0,0,0,0|2,0,0]=4 6044 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,2,0,0,0,0|2,0,0]=4 6045 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,2,0,0,0,0|2,0,0]=4 6046 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,2,0,0,0,0|2,0,0]=4 6047 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,2,0,0,0,0|1,0,0]=3 6048 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,2,0,0,0,0|1,0,0]=3 6049 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,2,0,0,0,0|1,0,0]=3 6050 B10R0.4 O=C([O-])COCCOCCBr 34a_100000692535_100020667443 [0,2,0,0,0,0|2,0,0]=4 6051 B10R0.4 O=C([O-])COCCOCCCl 34a_100011215305_100020667443 [0,2,0,0,0,0|2,0,0]=4 6052 B10R0.4 O=C([O-])COCCOCCF 34a_200015357709_100020667443 [0,2,0,0,0,0|2,0,0]=4 6053 B10R0.4 O=C([O-])COCCOCCI 34a_100012149058_100020667443 [0,2,0,0,0,0|2,0,0]=4 6054 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,2,0,0,0,0|1,1,0]=4 6055 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,2,0,0,0,0|1,1,0]=4 6056 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,2,0,0,0,0|1,1,0]=4 6057 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,2,0,0,0,0|1,1,0]=4 6058 B10R0.4 O=CCCCCSCC(F)F 62a_100000139335_100011934356 [0,2,0,0,0,0|2,0,0]=4 6059 B10R0.4 O=CCCCCSCC(F)F 62a_100011934356_100000139335 [0,2,0,0,0,0|2,0,0]=4 6060 B10R0.4 O=CCOCCCC[N+](=O)[O-] 34a_200015379883_200009817547 [0,2,0,0,0,0|2,0,0]=4 6061 B10R0.4 O=CCOCCCC[N+](=O)[O-] 7a_200015379883_200015260668 [0,2,0,0,0,0|2,0,0]=4 6062 B10R0.4 O=CCOCCOCC(F)F 34a_100000704375_200009817547 [0,2,0,0,0,0|2,0,0]=4 6063 B10R0.4 O=CCOCCOCC(F)F 7a_100000704375_200015260668 [0,2,0,0,0,0|2,0,0]=4 6064 B10R0.4 O=[N+]([O-])COCCCCCBr 34a_100000746331_100000761209 [0,2,0,0,0,0|1,0,1]=4 6065 B10R0.4 O=[N+]([O-])COCCCCCCl 34a_100000746330_100000761209 [0,2,0,0,0,0|1,0,1]=4 6066 B10R0.4 O=[N+]([O-])COCCCCCI 34a_200012148887_100000761209 [0,2,0,0,0,0|1,0,1]=4 6067 B10R0.4 O=[N+]([O-])OCCCCSCF 62a_100015361967_100015694321 [0,2,0,0,0,0|2,0,0]=4 6068 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,0,0,0,0|1,0,0]=3 6069 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,2,0,0,0,0|2,0,0]=4 6070 B10R0.6 C=COCCC(=O)CC(C)C 1458a_100000210554_100000039644 [0,2,0,0,0,0|1,0,1]=4 6071 B10R0.6 C=COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000039644 [0,2,0,0,0,0|1,0,1]=4 6072 B10R0.6 C=COCCN(C)CC(C)C 2230a_100000747067_100000039644 [0,2,0,0,0,0|2,0,0]=4 6073 B10R0.6 C=COCCN(C)CC(C)C 269982a_100000747067_100000039644 [0,2,0,0,0,0|2,0,0]=4 6074 B10R0.6 C=COCCN(C)CC(C)O 2230a_100000227577_100000039644 [0,2,0,0,0,0|2,0,0]=4 6075 B10R0.6 C=COCCN(C)CC(C)O 269982a_100000227577_100000039644 [0,2,0,0,0,0|2,0,0]=4 6076 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [0,2,0,0,0,0|2,0,0]=4 6077 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [0,2,0,0,0,0|2,0,0]=4 6078 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,2,0,0,0,0|2,0,0]=4 6079 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,2,0,0,0,0|2,0,0]=4 6080 B10R0.6 CC(C)CN(C)CCCC=O 2230a_100000747067_200011292268 [0,2,0,0,0,0|2,0,0]=4 6081 B10R0.6 CC(C)CN(C)CCCC=O 269982a_100000747067_200011292268 [0,2,0,0,0,0|2,0,0]=4 6082 B10R0.6 CC(C)C[C@H](N)CCOCF 34a_100161151251_100015361967 [0,2,0,0,0,0|1,0,1]=4 6083 B10R0.6 CC(C)C[C@H](N)COCC=O 34a_100011830311_200009817547 [0,2,0,0,0,0|2,0,0]=4 6084 B10R0.6 CC(O)CN(C)CCCC=O 2230a_100000227577_200011292268 [0,2,0,0,0,0|2,0,0]=4 6085 B10R0.6 CC(O)CN(C)CCCC=O 269982a_100000227577_200011292268 [0,2,0,0,0,0|2,0,0]=4 6086 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|1,0,1]=4 6087 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|1,0,1]=4 6088 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|1,0,1]=4 6089 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|1,0,1]=4 6090 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,0,0,0,0|1,0,0]=3 6091 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,0,0,0,0|1,0,0]=3 6092 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,0,0,0,0|1,0,0]=3 6093 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,0,0,0,0|1,0,0]=3 6094 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,2,0,0,0,0|1,0,1]=4 6095 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,2,0,0,0,0|1,0,1]=4 6096 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,2,0,0,0,0|1,0,1]=4 6097 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,2,0,0,0,0|2,0,0]=4 6098 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,2,0,0,0,0|2,0,0]=4 6099 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,2,0,0,0,0|2,0,0]=4 6100 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,2,0,0,0,0|2,0,0]=4 6101 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,2,0,0,0,0|2,0,0]=4 6102 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,2,0,0,0,0|1,0,0]=3 6103 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,2,0,0,0,0|1,0,0]=3 6104 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,2,0,0,0,0|2,0,0]=4 6105 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [0,2,0,0,0,0|1,0,1]=4 6106 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [0,2,0,0,0,0|2,0,0]=4 6107 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [0,2,0,0,0,0|2,0,0]=4 6108 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [0,2,0,0,0,0|2,0,0]=4 6109 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [0,2,0,0,0,0|2,0,0]=4 6110 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [0,2,0,0,0,0|2,0,0]=4 6111 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [0,2,0,0,0,0|2,0,0]=4 6112 B10R0.22 C=COCCCNC(C)(C)C 34a_100000210767_100000210625 [0,2,0,0,0,0|2,0,0]=4 6113 B10R0.22 C=COCCNCC(C)(C)C 2230a_100000743828_100000039644 [0,2,0,0,0,0|2,0,0]=4 6114 B10R0.22 C=COCCNCC(C)(C)F 2230a_100020643315_100000039644 [0,2,0,0,0,0|2,0,0]=4 6115 B10R0.22 C=COCCNCC(C)(C)O 2230a_100000751335_100000039644 [0,2,0,0,0,0|2,0,0]=4 6116 B10R0.22 C=COCCOCC(C)(C)C 34a_100000033082_100011219605 [0,2,0,0,0,0|2,0,0]=4 6117 B10R0.22 C=COCCOCC(C)(C)F 34a_100000033082_100011997219 [0,2,0,0,0,0|2,0,0]=4 6118 B10R0.22 C=COCCOCC(C)(C)F 34a_100000716592_100000039644 [0,2,0,0,0,0|2,0,0]=4 6119 B10R0.22 C=COCCOCC(C)(C)O 34a_100000033082_100000764493 [0,2,0,0,0,0|2,0,0]=4 6120 B10R0.22 C=COCCOCC(C)(F)F 34a_100000068830_100000039644 [0,2,0,0,0,0|2,0,0]=4 6121 B10R0.22 C=COCCSCC(C)(C)C 62a_100000039644_100011219605 [0,2,0,0,0,0|2,0,0]=4 6122 B10R0.22 C=COCCSCC(C)(C)C 62a_100011219605_100000039644 [0,2,0,0,0,0|2,0,0]=4 6123 B10R0.22 C=COCCSCC(C)(C)F 62a_100000039644_100011997219 [0,2,0,0,0,0|2,0,0]=4 6124 B10R0.22 C=COCCSCC(C)(C)F 62a_100011997219_100000039644 [0,2,0,0,0,0|2,0,0]=4 6125 B10R0.22 C=COCCSCC(C)(C)O 62a_100000039644_100000764493 [0,2,0,0,0,0|2,0,0]=4 6126 B10R0.22 C=COCCSCC(C)(C)O 62a_100000764493_100000039644 [0,2,0,0,0,0|2,0,0]=4 6127 B10R0.22 CC(C)(C)CNCCCC=O 2230a_100000743828_200011292268 [0,2,0,0,0,0|2,0,0]=4 6128 B10R0.22 CC(C)(C)CSCCCC=O 62a_100011219605_200011292268 [0,2,0,0,0,0|2,0,0]=4 6129 B10R0.22 CC(C)(C)CSCCCC=O 62a_200011292268_100011219605 [0,2,0,0,0,0|2,0,0]=4 6130 B10R0.22 CC(C)(C)NCCCCC=O 2230a_100000715429_100000139335 [0,2,0,0,0,0|2,0,0]=4 6131 B10R0.22 CC(C)(C)OCCCCC=O 7a_100015890283_100000139335 [0,2,0,0,0,0|2,0,0]=4 6132 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000139335_100000211941 [0,2,0,0,0,0|2,0,0]=4 6133 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000211941_100000139335 [0,2,0,0,0,0|2,0,0]=4 6134 B10R0.22 CC(C)(F)CNCCCC=O 2230a_100020643315_200011292268 [0,2,0,0,0,0|2,0,0]=4 6135 B10R0.22 CC(C)(F)CSCCCC=O 62a_100011997219_200011292268 [0,2,0,0,0,0|2,0,0]=4 6136 B10R0.22 CC(C)(F)CSCCCC=O 62a_200011292268_100011997219 [0,2,0,0,0,0|2,0,0]=4 6137 B10R0.22 CC(C)(O)CCCSCC=O 62a_100009888830_200015260668 [0,2,0,0,0,0|2,0,0]=4 6138 B10R0.22 CC(C)(O)CCCSCC=O 62a_200015260668_100009888830 [0,2,0,0,0,0|2,0,0]=4 6139 B10R0.22 CC(C)(O)CNCCCC=O 2230a_100000751335_200011292268 [0,2,0,0,0,0|2,0,0]=4 6140 B10R0.22 CC(C)(O)CSCCCC=O 62a_100000764493_200011292268 [0,2,0,0,0,0|2,0,0]=4 6141 B10R0.22 CC(C)(O)CSCCCC=O 62a_200011292268_100000764493 [0,2,0,0,0,0|2,0,0]=4 6142 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [0,2,0,0,0,0|2,0,0]=4 6143 B10R0.22 CCCCCCOC(C)(C)C 34a_100000210259_100000210625 [0,2,0,0,0,0|1,0,1]=4 6144 B10R0.22 CCCCCCOC(C)(C)C 34a_100015890283_100000210314 [0,2,0,0,0,0|1,0,1]=4 6145 B10R0.22 CCCCCCOC(C)(C)C 7a_100015890283_100000210314 [0,2,0,0,0,0|1,0,1]=4 6146 B10R0.22 CCCCCCOC(F)(F)F 34a_100000210259_200103152311 [0,2,0,0,0,0|1,0,1]=4 6147 B10R0.22 CCCCCCOC(F)(F)F 7a_100000210259_200000243211 [0,2,0,0,0,0|1,0,1]=4 6148 B10R0.22 CCCOCCOS(=O)(=O)C 34a_100000210258_200000036756 [0,2,0,0,0,0|2,0,0]=4 6149 B10R0.22 CCCSCCOS(=O)(=O)C 62a_100000210303_200000036756 [0,2,0,0,0,0|2,0,0]=4 6150 B10R0.22 CCCSCCOS(=O)(=O)C 62a_200000036756_100000210303 [0,2,0,0,0,0|2,0,0]=4 6151 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,2,0,0,0,0|2,0,0]=4 6152 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,2,0,0,0,0|1,0,1]=4 6153 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [0,2,0,0,0,0|2,0,0]=4 6154 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [0,2,0,0,0,0|2,0,0]=4 6155 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [0,2,0,0,0,0|2,0,0]=4 6156 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [0,2,0,0,0,0|2,0,0]=4 6157 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [0,2,0,0,0,0|2,0,0]=4 6158 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [0,2,0,0,0,0|2,0,0]=4 6159 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [0,2,0,0,0,0|2,0,0]=4 6160 B10R0.55 CC(=O)OCNC[C@@H](F)CO 34a_100015665980_100009813279 [0,2,0,0,0,0|2,0,0]=4 6161 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [0,2,0,0,0,0|2,0,0]=4 6162 B10R0.55 CC(=O)OCOCC(Cl)CCl 34a_100000033668_100009813279 [0,2,0,0,0,0|2,0,0]=4 6163 B10R0.55 CC(=O)OCOC[C@H](F)CN 34a_100015665980_100009813279 [0,2,0,0,0,0|2,0,0]=4 6164 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [0,2,0,0,0,0|2,0,0]=4 6165 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [0,2,0,0,0,0|2,0,0]=4 6166 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [0,2,0,0,0,0|2,0,0]=4 6167 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [0,2,0,0,0,0|2,0,0]=4 6168 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100000076356_100015614560 [0,2,0,0,0,0|2,0,0]=4 6169 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000076356 [0,2,0,0,0,0|2,0,0]=4 6170 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [0,2,0,0,0,0|2,0,0]=4 6171 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [0,2,0,0,0,0|2,0,0]=4 6172 B10R0.55 CC(CF)OCCOC(=O)N 34a_100016041109_200011214921 [0,2,0,0,0,0|2,0,0]=4 6173 B10R0.55 CC(CF)OCCOC(=O)N 7a_100016041109_200011214921 [0,2,0,0,0,0|2,0,0]=4 6174 B10R0.55 CC(CN)OCCOC(=O)N 34a_100000210904_200011214921 [0,2,0,0,0,0|2,0,0]=4 6175 B10R0.55 CC(CO)OCCOC(=O)N 7a_100000766696_100012180447 [0,2,0,0,0,0|2,0,0]=4 6176 B10R0.55 CC(CO)SCCOC(=O)N 62a_100012180447_200011214921 [0,2,0,0,0,0|2,0,0]=4 6177 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|1,0,1]=4 6178 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,2,0,0,0,0|1,0,1]=4 6179 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,0,0,0,0|0,0,1]=3 6180 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,2,0,0,0,0|0,1,1]=4 6181 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,2,0,0,0,0|0,1,1]=4 6182 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,2,0,0,0,0|1,0,1]=4 6183 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,2,0,0,0,0|1,0,1]=4 6184 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,2,0,0,0,0|1,0,1]=4 6185 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 6186 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 6187 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 6188 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,2,0,0,0,0|1,0,1]=4 6189 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,2,0,0,0,0|2,0,0]=4 6190 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,2,0,0,0,0|2,0,0]=4 6191 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,2,0,0,0,0|2,0,0]=4 6192 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,2,0,0,0,0|2,0,0]=4 6193 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,2,0,0,0,0|2,0,0]=4 6194 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,2,0,0,0,0|2,0,0]=4 6195 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,2,0,0,0,0|2,0,0]=4 6196 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,2,0,0,0,0|2,0,0]=4 6197 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,2,0,0,0,0|2,0,0]=4 6198 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,2,0,0,0,0|2,0,0]=4 6199 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,2,0,0,0,0|2,0,0]=4 6200 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,2,0,0,0,0|1,0,0]=3 6201 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,2,0,0,0,0|1,0,0]=3 6202 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,2,0,0,0,0|2,0,0]=4 6203 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,2,0,0,0,0|2,0,0]=4 6204 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,2,0,0,0,0|2,0,0]=4 6205 B10R0.55 CCC(C)NCCNC(=O)N 2230a_100000209981_200000034859 [0,2,0,0,0,0|2,0,0]=4 6206 B10R0.55 CCC(C)NCCNC(=O)N 34a_100020590234_100011215416 [0,2,0,0,0,0|2,0,0]=4 6207 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,2,0,0,0,0|2,0,0]=4 6208 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,2,0,0,0,0|2,0,0]=4 6209 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,2,0,0,0,0|2,0,0]=4 6210 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,2,0,0,0,0|2,0,0]=4 6211 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,2,0,0,0,0|2,0,0]=4 6212 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,2,0,0,0,0|2,0,0]=4 6213 B10R0.55 CCC(C)OCCNC(=O)N 34a_100000181757_100011215416 [0,2,0,0,0,0|2,0,0]=4 6214 B10R0.55 CCC(C)OCCNC(=O)N 7a_100000210228_200000034859 [0,2,0,0,0,0|2,0,0]=4 6215 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,2,0,0,0,0|1,0,0]=3 6216 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,2,0,0,0,0|1,0,0]=3 6217 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,2,0,0,0,0|1,0,0]=3 6218 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,2,0,0,0,0|2,0,0]=4 6219 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,2,0,0,0,0|2,0,0]=4 6220 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,2,0,0,0,0|2,0,0]=4 6221 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,2,0,0,0,0|2,0,0]=4 6222 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,2,0,0,0,0|2,0,0]=4 6223 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,2,0,0,0,0|2,0,0]=4 6224 B10R0.55 CCC(C)SCCNC(=O)N 62a_100000758301_200000034859 [0,2,0,0,0,0|2,0,0]=4 6225 B10R0.55 CCC(C)SCCNC(=O)N 62a_200000034859_100000758301 [0,2,0,0,0,0|2,0,0]=4 6226 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,2,0,0,0,0|1,0,0]=3 6227 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,2,0,0,0,0|1,0,0]=3 6228 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,2,0,0,0,0|1,0,0]=3 6229 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,2,0,0,0,0|1,0,0]=3 6230 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,2,0,0,0,0|2,0,0]=4 6231 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,2,0,0,0,0|2,0,0]=4 6232 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,2,0,0,0,0|2,0,0]=4 6233 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,2,0,0,0,0|2,0,0]=4 6234 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,2,0,0,0,0|2,0,0]=4 6235 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,2,0,0,0,0|2,0,0]=4 6236 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,2,0,0,0,0|2,0,0]=4 6237 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,2,0,0,0,0|2,0,0]=4 6238 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,2,0,0,0,0|2,0,0]=4 6239 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,2,0,0,0,0|1,0,0]=3 6240 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,2,0,0,0,0|1,0,0]=3 6241 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,2,0,0,0,0|2,0,0]=4 6242 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,2,0,0,0,0|1,0,0]=3 6243 B10R0.55 CCN(C)CCCOC(=S)C 2230a_100000225621_200135323944 [0,2,0,0,0,0|1,1,0]=4 6244 B10R0.55 CCN(C)CCCOC(=S)C 269982a_100000225621_200135323944 [0,2,0,0,0,0|1,1,0]=4 6245 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,2,0,0,0,0|1,1,0]=4 6246 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,2,0,0,0,0|1,1,0]=4 6247 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,2,0,0,0,0|2,0,0]=4 6248 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,2,0,0,0,0|2,0,0]=4 6249 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,2,0,0,0,0|2,0,0]=4 6250 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,2,0,0,0,0|2,0,0]=4 6251 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,2,0,0,0,0|2,0,0]=4 6252 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,2,0,0,0,0|2,0,0]=4 6253 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,2,0,0,0,0|2,0,0]=4 6254 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,2,0,0,0,0|2,0,0]=4 6255 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,2,0,0,0,0|2,0,0]=4 6256 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,2,0,0,0,0|2,0,0]=4 6257 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,2,0,0,0,0|1,0,0]=3 6258 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,2,0,0,0,0|1,0,0]=3 6259 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,2,0,0,0,0|2,0,0]=4 6260 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,2,0,0,0,0|2,0,0]=4 6261 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,2,0,0,0,0|2,0,0]=4 6262 B10R0.55 COC(C)SCCOC(=O)N 62a_100009879195_200011214921 [0,2,0,0,0,0|2,0,0]=4 6263 B10R0.55 COC(C)SCCOC(=O)N 62a_200011214921_100009879195 [0,2,0,0,0,0|2,0,0]=4 6264 B10R0.55 C[C@H](CO)SCCOC(=O)N 62a_100016084084_200011214921 [0,2,0,0,0,0|2,0,0]=4 6265 B10R0.55 C[C@H](CO)SCCOC(=O)N 62a_200011214921_100016084084 [0,2,0,0,0,0|2,0,0]=4 6266 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,2,0,0,0,0|1,0,0]=3 6267 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,2,0,0,0,0|2,0,0]=4 6268 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,2,0,0,0,0|2,0,0]=4 6269 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,2,0,0,0,0|2,0,0]=4 6270 B10R0.74 C#CC(C)NCCCCC=O 2230a_100000707721_100000139335 [0,2,0,0,0,0|2,0,0]=4 6271 B10R0.74 C#CC(C)NCCCOC=C 34a_100000210767_200000035995 [0,2,0,0,0,0|2,0,0]=4 6272 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,2,0,0,0,0|1,0,1]=4 6273 B10R0.74 C#CC(C)SCCCCC=O 62a_200000035995_100000139335 [0,2,0,0,0,0|2,0,0]=4 6274 B10R0.74 C#CCOCCCC(C)CC 7a_100011216074_100000038162 [0,2,0,0,0,0|1,0,1]=4 6275 B10R0.74 C#C[C@@H](C)OCCCCC=O 7a_100009815206_100000139335 [0,2,0,0,0,0|2,0,0]=4 6276 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,2,0,0,0,0|1,0,1]=4 6277 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,2,0,0,0,0|1,0,1]=4 6278 B10R0.74 C/C=C/CCOCC(C)CC 34a_100016278192_100000748023 [0,2,0,0,0,0|2,0,0]=4 6279 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,2,0,0,0,0|2,0,0]=4 6280 B10R0.74 C/C=C/CCOC[C@@H](C)CC 34a_100016278192_100009816398 [0,2,0,0,0,0|2,0,0]=4 6281 B10R0.74 C/C=C/COCCC(C)CC 7a_100011215188_100102629194 [0,2,0,0,0,0|2,0,0]=4 6282 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,0,0,0,0|1,0,0]=3 6283 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,2,0,0,0,0|2,0,0]=4 6284 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,2,0,0,0,0|2,0,0]=4 6285 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,2,0,0,0,0|2,0,0]=4 6286 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,2,0,0,0,0|1,0,0]=3 6287 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,2,0,0,0,0|1,0,0]=3 6288 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,2,0,0,0,0|2,0,0]=4 6289 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,2,0,0,0,0|2,0,0]=4 6290 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,2,0,0,0,0|2,0,0]=4 6291 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,2,0,0,0,0|2,0,0]=4 6292 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,2,0,0,0,0|2,0,0]=4 6293 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,2,0,0,0,0|2,0,0]=4 6294 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,2,0,0,0,0|2,0,0]=4 6295 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,2,0,0,0,0|2,0,0]=4 6296 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,2,0,0,0,0|2,0,0]=4 6297 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,2,0,0,0,0|2,0,0]=4 6298 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,2,0,0,0,0|2,0,0]=4 6299 B10R0.74 C=CC(=O)OCCNCCF 34a_100000724931_100009813456 [0,2,0,0,0,0|2,0,0]=4 6300 B10R0.74 C=CC(=O)OCCNCCO 2230a_100016997473_100009813456 [0,2,0,0,0,0|2,0,0]=4 6301 B10R0.74 C=CC(=O)OCCNCCO 34a_100016990907_100009813456 [0,2,0,0,0,0|2,0,0]=4 6302 B10R0.74 C=CC(=O)OCCOCCBr 34a_100000211926_100009813456 [0,2,0,0,0,0|2,0,0]=4 6303 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,2,0,0,0,0|1,0,0]=3 6304 B10R0.74 C=CC(=O)OCCOCCN 34a_100000210304_100009813456 [0,2,0,0,0,0|2,0,0]=4 6305 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,2,0,0,0,0|1,0,0]=3 6306 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,2,0,0,0,0|1,0,0]=3 6307 B10R0.74 C=CC(=O)OCCSCCF 62a_100009813456_100011217306 [0,2,0,0,0,0|2,0,0]=4 6308 B10R0.74 C=CC(=O)OCCSCCF 62a_100011217306_100009813456 [0,2,0,0,0,0|2,0,0]=4 6309 B10R0.74 C=CC(=O)OCCSCCO 62a_100000211926_100009813456 [0,2,0,0,0,0|2,0,0]=4 6310 B10R0.74 C=CC(=O)OCCSCCO 62a_100009813456_100000211926 [0,2,0,0,0,0|2,0,0]=4 6311 B10R0.74 C=CC(=O)OCCSCOC 62a_100000766300_100009813456 [0,2,0,0,0,0|2,0,0]=4 6312 B10R0.74 C=CC(=O)OCCSCOC 62a_100009813456_100000766300 [0,2,0,0,0,0|2,0,0]=4 6313 B10R0.74 C=CC(=O)OCCSCSC 62a_100009813456_100011218213 [0,2,0,0,0,0|2,0,0]=4 6314 B10R0.74 C=CC(=O)OCCSCSC 62a_100011218213_100009813456 [0,2,0,0,0,0|2,0,0]=4 6315 B10R0.74 C=CC(C)COCCCC=O 7a_100011215527_200011292268 [0,2,0,0,0,0|2,0,0]=4 6316 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,2,0,0,0,0|2,0,0]=4 6317 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,2,0,0,0,0|2,0,0]=4 6318 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,2,0,0,0,0|1,0,0]=3 6319 B10R0.74 C=CC(C)OCCCCCF 34a_100000695699_100000729378 [0,2,0,0,0,0|2,0,0]=4 6320 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,2,0,0,0,0|2,0,0]=4 6321 B10R0.74 C=CC(C)OCCCCOC 34a_100000695699_100000755781 [0,2,0,0,0,0|2,0,0]=4 6322 B10R0.74 C=CC(C)OCCCOCC 34a_100000695699_100012232248 [0,2,0,0,0,0|2,0,0]=4 6323 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [0,2,0,0,0,0|2,0,0]=4 6324 B10R0.74 C=CC(C)OCOCCCC 34a_100000695699_100011995733 [0,2,0,0,0,0|2,0,0]=4 6325 B10R0.74 C=CC(C)SCCCCC=O 62a_100011215867_100000139335 [0,2,0,0,0,0|2,0,0]=4 6326 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,2,0,0,0,0|1,1,0]=4 6327 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,2,0,0,0,0|2,0,0]=4 6328 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,2,0,0,0,0|2,0,0]=4 6329 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,2,0,0,0,0|2,0,0]=4 6330 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,2,0,0,0,0|2,0,0]=4 6331 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,2,0,0,0,0|2,0,0]=4 6332 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|2,0,0]=4 6333 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|2,0,0]=4 6334 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,2,0,0,0,0|2,0,0]=4 6335 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,2,0,0,0,0|2,0,0]=4 6336 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [0,2,0,0,0,0|2,0,0]=4 6337 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [0,2,0,0,0,0|2,0,0]=4 6338 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [0,2,0,0,0,0|2,0,0]=4 6339 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,2,0,0,0,0|2,0,0]=4 6340 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,2,0,0,0,0|2,0,0]=4 6341 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,2,0,0,0,0|2,0,0]=4 6342 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [0,2,0,0,0,0|2,0,0]=4 6343 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [0,2,0,0,0,0|2,0,0]=4 6344 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [0,2,0,0,0,0|2,0,0]=4 6345 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [0,2,0,0,0,0|2,0,0]=4 6346 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [0,2,0,0,0,0|2,0,0]=4 6347 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [0,2,0,0,0,0|2,0,0]=4 6348 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,2,0,0,0,0|2,0,0]=4 6349 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,2,0,0,0,0|2,0,0]=4 6350 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,2,0,0,0,0|2,0,0]=4 6351 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [0,2,0,0,0,0|2,0,0]=4 6352 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [0,2,0,0,0,0|2,0,0]=4 6353 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,2,0,0,0,0|2,0,0]=4 6354 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,2,0,0,0,0|2,0,0]=4 6355 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,2,0,0,0,0|2,0,0]=4 6356 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,2,0,0,0,0|2,0,0]=4 6357 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,2,0,0,0,0|2,0,0]=4 6358 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,2,0,0,0,0|2,0,0]=4 6359 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,2,0,0,0,0|2,0,0]=4 6360 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [0,2,0,0,0,0|2,0,0]=4 6361 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [0,2,0,0,0,0|2,0,0]=4 6362 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,2,0,0,0,0|2,0,0]=4 6363 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,2,0,0,0,0|2,0,0]=4 6364 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [0,2,0,0,0,0|2,0,0]=4 6365 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [0,2,0,0,0,0|2,0,0]=4 6366 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [0,2,0,0,0,0|2,0,0]=4 6367 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [0,2,0,0,0,0|2,0,0]=4 6368 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,2,0,0,0,0|1,0,0]=3 6369 B10R0.74 C=CCOCCC[C@@H](C)CN 34a_100160569302_100015514636 [0,2,0,0,0,0|2,0,0]=4 6370 B10R0.74 C=CCOCCOC(C)CC 34a_100000037705_100011215416 [0,2,0,0,0,0|2,0,0]=4 6371 B10R0.74 C=CCOCCOC(C)CC 7a_100000037705_100000758301 [0,2,0,0,0,0|2,0,0]=4 6372 B10R0.74 C=COCCCNC(=O)CC 11a_100000210767_100000210414 [0,2,0,0,0,0|1,0,1]=4 6373 B10R0.74 C=COCCCNC(=O)CC 1626a_100000210767_100000210414 [0,2,0,0,0,0|1,0,1]=4 6374 B10R0.74 C=COCCCNC(=O)CC 240690a_100000210767_100000210414 [0,2,0,0,0,0|1,0,1]=4 6375 B10R0.74 C=COCCCNC(=O)CC 527a_100000210767_100000210414 [0,2,0,0,0,0|1,0,1]=4 6376 B10R0.74 C=COCCCNC(C)C#N 2230a_100000210767_100000184139 [0,2,0,0,0,0|2,0,0]=4 6377 B10R0.74 C=COCCCNC(C)CC 2230a_100000210767_100000758301 [0,2,0,0,0,0|1,0,0]=3 6378 B10R0.74 C=COCCCNC(C)CC 34a_100000210767_100011215416 [0,2,0,0,0,0|1,0,0]=3 6379 B10R0.74 C=COCCCNC(C)CO 2230a_100000210767_100012180447 [0,2,0,0,0,0|2,0,0]=4 6380 B10R0.74 C=COCCCNC(C)CO 34a_100000210767_100012180447 [0,2,0,0,0,0|2,0,0]=4 6381 B10R0.74 C=COCCNCC(C)CC 2230a_100020588543_100000039644 [0,2,0,0,0,0|1,0,0]=3 6382 B10R0.74 C=COCCNCC(C)CO 34a_100000744482_100000039644 [0,2,0,0,0,0|2,0,0]=4 6383 B10R0.74 C=COCCNCC(O)CC 2230a_100011218483_100000039644 [0,2,0,0,0,0|1,0,0]=3 6384 B10R0.74 C=COCCNC[C@@H](C)OC 2230a_100020591295_100000039644 [0,2,0,0,0,0|2,0,0]=4 6385 B10R0.74 C=COCCNC[C@@H](F)CO 34a_100015665980_100000039644 [0,2,0,0,0,0|2,0,0]=4 6386 B10R0.74 C=COCCNC[C@H](O)CO 2230a_100020644852_100000039644 [0,2,0,0,0,0|2,0,0]=4 6387 B10R0.74 C=COCCOCC(=O)CC 34a_100000725409_100000039644 [0,2,0,0,0,0|1,0,1]=4 6388 B10R0.74 C=COCCOCC(C)C=C 34a_100011215527_100000039644 [0,2,0,0,0,0|2,0,0]=4 6389 B10R0.74 C=COCCOCC(C)C=C 7a_100011215527_100000039644 [0,2,0,0,0,0|2,0,0]=4 6390 B10R0.74 C=COCCOCC(C)CC 34a_100000033082_100000748023 [0,2,0,0,0,0|1,0,0]=3 6391 B10R0.74 C=COCCOCC(C)CN 34a_100000744482_100000039644 [0,2,0,0,0,0|2,0,0]=4 6392 B10R0.74 C=COCCOCC(C)OC 34a_100000690652_100000039644 [0,2,0,0,0,0|2,0,0]=4 6393 B10R0.74 C=COCCOCC(Cl)CCl 34a_100000033668_100000039644 [0,2,0,0,0,0|2,0,0]=4 6394 B10R0.74 C=COCCOCC(O)CC 34a_100000033082_100011218378 [0,2,0,0,0,0|1,0,0]=3 6395 B10R0.74 C=COCCOCC(O)CO 34a_100000033082_100011219619 [0,2,0,0,0,0|2,0,0]=4 6396 B10R0.74 C=COCCOC[C@@H](C)CC 34a_100000033082_100009816398 [0,2,0,0,0,0|1,0,0]=3 6397 B10R0.74 C=COCCOC[C@@H](C)CC 7a_100009816381_100000039644 [0,2,0,0,0,0|1,0,0]=3 6398 B10R0.74 C=COCCOC[C@@H](C)CO 34a_100000033082_100000059175 [0,2,0,0,0,0|2,0,0]=4 6399 B10R0.74 C=COCCOC[C@@H](O)CF 34a_100000033082_100015614560 [0,2,0,0,0,0|2,0,0]=4 6400 B10R0.74 C=COCCOC[C@@H](O)CO 34a_100000033082_100009815848 [0,2,0,0,0,0|2,0,0]=4 6401 B10R0.74 C=COCCOC[C@H](F)CN 34a_100015665980_100000039644 [0,2,0,0,0,0|2,0,0]=4 6402 B10R0.74 C=COCCSCC(=O)CC 62a_100000039644_100000747405 [0,2,0,0,0,0|1,0,1]=4 6403 B10R0.74 C=COCCSCC(=O)CC 62a_100000747405_100000039644 [0,2,0,0,0,0|1,0,1]=4 6404 B10R0.74 C=COCCSCC(C)CC 62a_100000039644_100000748023 [0,2,0,0,0,0|1,0,0]=3 6405 B10R0.74 C=COCCSCC(C)CC 62a_100000748023_100000039644 [0,2,0,0,0,0|1,0,0]=3 6406 B10R0.74 C=COCCSCC(O)CC 62a_100000039644_100011218378 [0,2,0,0,0,0|1,0,0]=3 6407 B10R0.74 C=COCCSCC(O)CC 62a_100011218378_100000039644 [0,2,0,0,0,0|1,0,0]=3 6408 B10R0.74 C=COCCSCC(O)CO 62a_100000039644_100011219619 [0,2,0,0,0,0|2,0,0]=4 6409 B10R0.74 C=COCCSCC(O)CO 62a_100011219619_100000039644 [0,2,0,0,0,0|2,0,0]=4 6410 B10R0.74 C=COCCSC[C@@H](C)CC 62a_100000039644_100009816398 [0,2,0,0,0,0|1,0,0]=3 6411 B10R0.74 C=COCCSC[C@@H](C)CC 62a_100009816398_100000039644 [0,2,0,0,0,0|1,0,0]=3 6412 B10R0.74 C=COCCSC[C@@H](C)CO 62a_100000039644_100000059175 [0,2,0,0,0,0|2,0,0]=4 6413 B10R0.74 C=COCCSC[C@@H](C)CO 62a_100000059175_100000039644 [0,2,0,0,0,0|2,0,0]=4 6414 B10R0.74 C=COCCSC[C@@H](O)CF 62a_100000039644_100015614560 [0,2,0,0,0,0|2,0,0]=4 6415 B10R0.74 C=COCCSC[C@@H](O)CF 62a_100015614560_100000039644 [0,2,0,0,0,0|2,0,0]=4 6416 B10R0.74 C=COCCSC[C@@H](O)CO 62a_100000039644_100009815848 [0,2,0,0,0,0|2,0,0]=4 6417 B10R0.74 C=COCCSC[C@@H](O)CO 62a_100009815848_100000039644 [0,2,0,0,0,0|2,0,0]=4 6418 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|2,0,0]=4 6419 B10R0.74 CC(C#N)NCCCCC=O 2230a_100000737613_100000139335 [0,2,0,0,0,0|2,0,0]=4 6420 B10R0.74 CC(C#N)SCCCCC=O 62a_100000139335_100000703298 [0,2,0,0,0,0|2,0,0]=4 6421 B10R0.74 CC(C#N)SCCCCC=O 62a_100000703298_100000139335 [0,2,0,0,0,0|2,0,0]=4 6422 B10R0.74 CC(CF)OCCCCC=O 7a_100016041109_100000139335 [0,2,0,0,0,0|2,0,0]=4 6423 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [0,2,0,0,0,0|2,0,0]=4 6424 B10R0.74 CC=CCCCOC(C)CC 34a_100020645299_100011215416 [0,2,0,0,0,0|2,0,0]=4 6425 B10R0.74 CC=CCNCCC(C)CC 2230a_100020591266_100000070051 [0,2,0,0,0,0|2,0,0]=4 6426 B10R0.74 CC=CCOCCC(C)CC 7a_100011215188_100000070051 [0,2,0,0,0,0|2,0,0]=4 6427 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|2,0,0]=4 6428 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|2,0,0]=4 6429 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|2,0,0]=4 6430 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|2,0,0]=4 6431 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,2,0,0,0,0|1,0,1]=4 6432 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,2,0,0,0,0|1,0,1]=4 6433 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|2,0,0]=4 6434 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,2,0,0,0,0|1,0,1]=4 6435 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,2,0,0,0,0|1,0,1]=4 6436 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,2,0,0,0,0|1,0,1]=4 6437 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,2,0,0,0,0|2,0,0]=4 6438 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,2,0,0,0,0|2,0,0]=4 6439 B10R0.74 CCC(C)CCCOCC#N 7a_100011216074_100011215382 [0,2,0,0,0,0|1,0,1]=4 6440 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [0,2,0,0,0,0|0,0,0]=2 6441 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,2,0,0,0,0|1,0,1]=4 6442 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,2,0,0,0,0|0,0,2]=4 6443 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,2,0,0,0,0|1,0,0]=3 6444 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,2,0,0,0,0|1,0,0]=3 6445 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,2,0,0,0,0|1,0,0]=3 6446 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [0,2,0,0,0,0|1,0,0]=3 6447 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [0,2,0,0,0,0|1,0,0]=3 6448 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [0,2,0,0,0,0|1,0,0]=3 6449 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [0,2,0,0,0,0|1,0,0]=3 6450 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,2,0,0,0,0|1,0,0]=3 6451 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,2,0,0,0,0|1,0,0]=3 6452 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,2,0,0,0,0|1,0,0]=3 6453 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|1,0,1]=4 6454 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,2,0,0,0,0|1,0,1]=4 6455 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,2,0,0,0,0|1,0,1]=4 6456 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|1,0,1]=4 6457 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|1,0,1]=4 6458 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|1,0,1]=4 6459 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|1,0,1]=4 6460 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|1,0,1]=4 6461 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|1,0,0]=3 6462 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|1,0,0]=3 6463 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|1,0,0]=3 6464 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|1,0,0]=3 6465 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|1,0,0]=3 6466 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 6467 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 6468 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 6469 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 6470 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 6471 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 6472 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 6473 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|1,0,0]=3 6474 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|1,0,0]=3 6475 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|1,0,0]=3 6476 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|1,0,0]=3 6477 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|1,0,0]=3 6478 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|1,0,0]=3 6479 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|1,0,0]=3 6480 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|1,0,0]=3 6481 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,2,0,0,0,0|1,0,1]=4 6482 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,2,0,0,0,0|1,0,1]=4 6483 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,2,0,0,0,0|1,0,1]=4 6484 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,2,0,0,0,0|1,0,1]=4 6485 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,2,0,0,0,0|1,0,1]=4 6486 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,2,0,0,0,0|1,0,1]=4 6487 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,2,0,0,0,0|1,0,1]=4 6488 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,2,0,0,0,0|1,0,1]=4 6489 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,2,0,0,0,0|0,0,2]=4 6490 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,2,0,0,0,0|0,0,2]=4 6491 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|2,0,0]=4 6492 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|2,0,0]=4 6493 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|2,0,0]=4 6494 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|2,0,0]=4 6495 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|2,0,0]=4 6496 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,2,0,0,0,0|2,0,0]=4 6497 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,2,0,0,0,0|2,0,0]=4 6498 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,2,0,0,0,0|2,0,0]=4 6499 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|2,0,0]=4 6500 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|2,0,0]=4 6501 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|2,0,0]=4 6502 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|2,0,0]=4 6503 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|2,0,0]=4 6504 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|2,0,0]=4 6505 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|2,0,0]=4 6506 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|2,0,0]=4 6507 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|2,0,0]=4 6508 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|2,0,0]=4 6509 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|2,0,0]=4 6510 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|2,0,0]=4 6511 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|2,0,0]=4 6512 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|2,0,0]=4 6513 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|2,0,0]=4 6514 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|2,0,0]=4 6515 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|2,0,0]=4 6516 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|2,0,0]=4 6517 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|2,0,0]=4 6518 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|2,0,0]=4 6519 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|2,0,0]=4 6520 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|2,0,0]=4 6521 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|2,0,0]=4 6522 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|2,0,0]=4 6523 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|2,0,0]=4 6524 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|2,0,0]=4 6525 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|2,0,0]=4 6526 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|2,0,0]=4 6527 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|2,0,0]=4 6528 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|2,0,0]=4 6529 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|1,0,0]=3 6530 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|2,0,0]=4 6531 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|2,0,0]=4 6532 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|2,0,0]=4 6533 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,2,0,0,0,0|2,0,0]=4 6534 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|2,0,0]=4 6535 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,2,0,0,0,0|2,0,0]=4 6536 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|2,0,0]=4 6537 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,2,0,0,0,0|1,0,1]=4 6538 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 6539 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 6540 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 6541 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 6542 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 6543 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|2,0,0]=4 6544 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|2,0,0]=4 6545 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,2,0,0,0,0|2,0,0]=4 6546 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,2,0,0,0,0|2,0,0]=4 6547 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,2,0,0,0,0|2,0,0]=4 6548 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,2,0,0,0,0|2,0,0]=4 6549 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,2,0,0,0,0|2,0,0]=4 6550 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,2,0,0,0,0|2,0,0]=4 6551 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|2,0,0]=4 6552 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|1,0,0]=3 6553 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|1,0,0]=3 6554 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|1,0,0]=3 6555 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|2,0,0]=4 6556 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|2,0,0]=4 6557 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|2,0,0]=4 6558 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|2,0,0]=4 6559 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 6560 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 6561 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 6562 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|2,0,0]=4 6563 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|2,0,0]=4 6564 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,2,0,0,0,0|2,0,0]=4 6565 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,2,0,0,0,0|2,0,0]=4 6566 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,2,0,0,0,0|2,0,0]=4 6567 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,2,0,0,0,0|2,0,0]=4 6568 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,2,0,0,0,0|2,0,0]=4 6569 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,2,0,0,0,0|2,0,0]=4 6570 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|1,0,0]=3 6571 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|1,0,0]=3 6572 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,2,0,0,0,0|1,0,0]=3 6573 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,2,0,0,0,0|1,0,0]=3 6574 B10R0.74 CCN(C)CCCSCC=O 62a_200015260668_100015186262 [0,2,0,0,0,0|1,1,0]=4 6575 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|2,0,0]=4 6576 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|2,0,0]=4 6577 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|2,0,0]=4 6578 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|2,0,0]=4 6579 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 6580 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 6581 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 6582 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 6583 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|2,0,0]=4 6584 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|2,0,0]=4 6585 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,2,0,0,0,0|2,0,0]=4 6586 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,2,0,0,0,0|2,0,0]=4 6587 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,2,0,0,0,0|2,0,0]=4 6588 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,2,0,0,0,0|2,0,0]=4 6589 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,2,0,0,0,0|2,0,0]=4 6590 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,2,0,0,0,0|2,0,0]=4 6591 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,2,0,0,0,0|1,0,1]=4 6592 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,2,0,0,0,0|1,0,1]=4 6593 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,2,0,0,0,0|1,0,1]=4 6594 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,2,0,0,0,0|1,0,1]=4 6595 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,2,0,0,0,0|1,0,1]=4 6596 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,2,0,0,0,0|1,0,1]=4 6597 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,2,0,0,0,0|1,0,1]=4 6598 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,2,0,0,0,0|1,0,1]=4 6599 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,2,0,0,0,0|1,0,1]=4 6600 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,2,0,0,0,0|1,0,1]=4 6601 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,2,0,0,0,0|1,0,1]=4 6602 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,2,0,0,0,0|1,0,1]=4 6603 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,2,0,0,0,0|1,0,1]=4 6604 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,2,0,0,0,0|1,0,1]=4 6605 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,2,0,0,0,0|1,0,1]=4 6606 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,2,0,0,0,0|1,0,1]=4 6607 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,2,0,0,0,0|1,0,1]=4 6608 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,2,0,0,0,0|1,0,1]=4 6609 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,2,0,0,0,0|1,0,1]=4 6610 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,2,0,0,0,0|1,0,1]=4 6611 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,2,0,0,0,0|1,0,1]=4 6612 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,2,0,0,0,0|1,0,1]=4 6613 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,2,0,0,0,0|1,0,1]=4 6614 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,2,0,0,0,0|1,0,1]=4 6615 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,2,0,0,0,0|1,0,1]=4 6616 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,2,0,0,0,0|1,0,1]=4 6617 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,2,0,0,0,0|1,0,1]=4 6618 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,2,0,0,0,0|1,0,1]=4 6619 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,2,0,0,0,0|1,0,1]=4 6620 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,2,0,0,0,0|1,0,1]=4 6621 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,2,0,0,0,0|2,0,0]=4 6622 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|2,0,0]=4 6623 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|2,0,0]=4 6624 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,2,0,0,0,0|1,0,0]=3 6625 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,2,0,0,0,0|1,0,0]=3 6626 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,2,0,0,0,0|1,0,0]=3 6627 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|2,0,0]=4 6628 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|2,0,0]=4 6629 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|2,0,0]=4 6630 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|2,0,0]=4 6631 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|2,0,0]=4 6632 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 6633 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 6634 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 6635 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 6636 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|2,0,0]=4 6637 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,2,0,0,0,0|2,0,0]=4 6638 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,2,0,0,0,0|2,0,0]=4 6639 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 6640 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,2,0,0,0,0|2,0,0]=4 6641 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,2,0,0,0,0|2,0,0]=4 6642 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,2,0,0,0,0|2,0,0]=4 6643 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 6644 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,2,0,0,0,0|2,0,0]=4 6645 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,2,0,0,0,0|2,0,0]=4 6646 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,2,0,0,0,0|2,0,0]=4 6647 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,2,0,0,0,0|2,0,0]=4 6648 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,2,0,0,0,0|2,0,0]=4 6649 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|2,0,0]=4 6650 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|2,0,0]=4 6651 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|2,0,0]=4 6652 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|2,0,0]=4 6653 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|2,0,0]=4 6654 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|2,0,0]=4 6655 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|2,0,0]=4 6656 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|2,0,0]=4 6657 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|2,0,0]=4 6658 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,2,0,0,0,0|2,0,0]=4 6659 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,2,0,0,0,0|2,0,0]=4 6660 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,2,0,0,0,0|2,0,0]=4 6661 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,2,0,0,0,0|2,0,0]=4 6662 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,2,0,0,0,0|2,0,0]=4 6663 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,2,0,0,0,0|2,0,0]=4 6664 B10R0.74 COC(C)SCCCCC=O 62a_100000139335_100009879195 [0,2,0,0,0,0|2,0,0]=4 6665 B10R0.74 COC(C)SCCCCC=O 62a_100009879195_100000139335 [0,2,0,0,0,0|2,0,0]=4 6666 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|2,0,0]=4 6667 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|2,0,0]=4 6668 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|2,0,0]=4 6669 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|2,0,0]=4 6670 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,2,0,0,0,0|2,0,0]=4 6671 B10R0.74 CO[C@H](C)CNCCCC=O 2230a_100020591295_200011292268 [0,2,0,0,0,0|2,0,0]=4 6672 B10R0.74 C[C@@H](CN)CCCOCC=O 34a_100160569302_200009817547 [0,2,0,0,0,0|1,0,0]=3 6673 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_100000059175_200011292268 [0,2,0,0,0,0|2,0,0]=4 6674 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_200011292268_100000059175 [0,2,0,0,0,0|2,0,0]=4 6675 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [0,2,0,0,0,0|2,0,0]=4 6676 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [0,2,0,0,0,0|2,0,0]=4 6677 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [0,2,0,0,0,0|2,0,0]=4 6678 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|2,0,0]=4 6679 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|2,0,0]=4 6680 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|2,0,0]=4 6681 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|2,0,0]=4 6682 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,2,0,0,0,0|2,0,0]=4 6683 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,2,0,0,0,0|2,0,0]=4 6684 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,2,0,0,0,0|2,0,0]=4 6685 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_100015614560_200011292268 [0,2,0,0,0,0|2,0,0]=4 6686 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_200011292268_100015614560 [0,2,0,0,0,0|2,0,0]=4 6687 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,2,0,0,0,0|2,0,0]=4 6688 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,2,0,0,0,0|2,0,0]=4 6689 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|2,0,0]=4 6690 B10R0.75 C=COCCNC(C)C(C)C 2230a_100000211541_100000039644 [0,2,0,0,0,0|2,0,0]=4 6691 B10R0.75 C=COCCOC(C)C(C)C 7a_100000748068_100000039644 [0,2,0,0,0,0|2,0,0]=4 6692 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,2,0,0,0,0|2,0,0]=4 6693 B10R0.75 CC(C)C(C)NCCCC=O 2230a_100000211541_200011292268 [0,2,0,0,0,0|2,0,0]=4 6694 B10R0.75 CC(C)C(C)OCCCC=O 7a_100000748068_200011292268 [0,2,0,0,0,0|2,0,0]=4 6695 B10R0.75 CC(C)C(N)CCOCC=O 34a_100161115045_200009817547 [0,2,0,0,0,0|2,0,0]=4 6696 B10R0.75 CC(C)N(C)CCCCC=O 269982a_200000211004_100000139335 [0,2,0,0,0,0|2,0,0]=4 6697 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|1,0,0]=3 6698 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|1,0,0]=3 6699 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|1,0,0]=3 6700 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,0,0,0,0|1,0,0]=3 6701 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,0,0,0,0|1,0,0]=3 6702 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,0,0,0,0|1,0,0]=3 6703 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,0,0,0,0|1,0,0]=3 6704 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|2,0,0]=4 6705 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|2,0,0]=4 6706 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,2,0,0,0,0|2,0,0]=4 6707 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,2,0,0,0,0|2,0,0]=4 6708 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|2,0,0]=4 6709 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,2,0,0,0,0|2,0,0]=4 6710 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,2,0,0,0,0|2,0,0]=4 6711 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|2,0,0]=4 6712 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|2,0,0]=4 6713 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,2,0,0,0,0|2,0,0]=4 6714 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,2,0,0,0,0|2,0,0]=4 6715 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 6716 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 6717 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,2,0,0,0,0|2,0,0]=4 6718 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,2,0,0,0,0|2,0,0]=4 6719 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,2,0,0,0,0|2,0,0]=4 6720 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,2,0,0,0,0|2,0,0]=4 6721 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|2,0,0]=4 6722 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|2,0,0]=4 6723 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,2,0,0,0,0|2,0,0]=4 6724 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,2,0,0,0,0|2,0,0]=4 6725 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,2,0,0,0,0|2,0,0]=4 6726 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,2,0,0,0,0|2,0,0]=4 6727 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,2,0,0,0,0|2,0,0]=4 6728 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,2,0,0,0,0|2,0,0]=4 6729 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|2,0,0]=4 6730 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|2,0,0]=4 6731 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|2,0,0]=4 6732 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|2,0,0]=4 6733 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|2,0,0]=4 6734 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|2,0,0]=4 6735 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|2,0,0]=4 6736 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|2,0,0]=4 6737 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,2,0,0,0,0|2,0,0]=4 6738 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,2,0,0,0,0|2,0,0]=4 6739 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,2,0,0,0,0|1,0,1]=4 6740 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,2,0,0,0,0|1,0,1]=4 6741 B10R0.78 CC(=O)OCC(C)NCCO 270004a_100000210304_100000000629 [0,2,0,0,0,0|2,0,0]=4 6742 B10R0.78 CC(=O)OCC(O)CSCF 62a_100015361967_200000139349 [0,2,0,0,0,0|2,0,0]=4 6743 B10R0.78 CC(=O)OCC(O)CSCF 62a_200000139349_100015361967 [0,2,0,0,0,0|2,0,0]=4 6744 B10R0.78 CC(=O)OCN(C)CCCO 269982a_100000213112_100000076356 [0,2,0,0,0,0|2,0,0]=4 6745 B10R0.78 CC(C)CCC(C)NCC=O 2230a_100138410893_200015260668 [0,2,0,0,0,0|2,0,0]=4 6746 B10R0.78 CC(C)CCC(C)OCC=O 34a_100011215350_200009817547 [0,2,0,0,0,0|2,0,0]=4 6747 B10R0.78 CC(C)CCC(C)OCC=O 7a_100011215350_200015260668 [0,2,0,0,0,0|2,0,0]=4 6748 B10R0.78 CC(C)CCC(C)SCC=O 62a_100011261404_200015260668 [0,2,0,0,0,0|2,0,0]=4 6749 B10R0.78 CC(C)CCC(C)SCC=O 62a_200015260668_100011261404 [0,2,0,0,0,0|2,0,0]=4 6750 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|1,0,1]=4 6751 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,2,0,0,0,0|1,0,1]=4 6752 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,2,0,0,0,0|1,0,1]=4 6753 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|0,0,1]=3 6754 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,2,0,0,0,0|0,1,1]=4 6755 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,0,0,0,0|1,0,0]=3 6756 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,0,0,0,0|1,0,0]=3 6757 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [0,2,0,0,0,0|1,0,1]=4 6758 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [0,2,0,0,0,0|1,0,1]=4 6759 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,2,0,0,0,0|2,0,0]=4 6760 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,2,0,0,0,0|2,0,0]=4 6761 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,2,0,0,0,0|2,0,0]=4 6762 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,2,0,0,0,0|2,0,0]=4 6763 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,2,0,0,0,0|2,0,0]=4 6764 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,2,0,0,0,0|2,0,0]=4 6765 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,2,0,0,0,0|2,0,0]=4 6766 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,2,0,0,0,0|2,0,0]=4 6767 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,2,0,0,0,0|2,0,0]=4 6768 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,2,0,0,0,0|2,0,0]=4 6769 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,2,0,0,0,0|2,0,0]=4 6770 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,2,0,0,0,0|2,0,0]=4 6771 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [0,2,0,0,0,0|2,0,0]=4 6772 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [0,2,0,0,0,0|2,0,0]=4 6773 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [0,2,0,0,0,0|2,0,0]=4 6774 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,2,0,0,0,0|1,0,0]=3 6775 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [0,2,0,0,0,0|1,0,1]=4 6776 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 6777 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 6778 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,2,0,0,0,0|1,0,1]=4 6779 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,2,0,0,0,0|1,0,0]=3 6780 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 6781 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 6782 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 6783 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,2,0,0,0,0|2,0,0]=4 6784 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [0,2,0,0,0,0|1,1,0]=4 6785 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,2,0,0,0,0|1,0,1]=4 6786 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,2,0,0,0,0|1,1,0]=4 6787 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [0,2,0,0,0,0|2,0,0]=4 6788 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [0,2,0,0,0,0|2,0,0]=4 6789 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,2,0,0,0,0|1,0,0]=3 6790 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,2,0,0,0,0|1,0,1]=4 6791 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,2,0,0,0,0|1,0,1]=4 6792 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [0,2,0,0,0,0|1,1,0]=4 6793 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [0,2,0,0,0,0|1,1,0]=4 6794 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,2,0,0,0,0|1,0,0]=3 6795 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,2,0,0,0,0|1,0,0]=3 6796 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,2,0,0,0,0|1,0,1]=4 6797 B10R0.78 COCCN(C)COC(=O)C 269982a_100000743101_100000076356 [0,2,0,0,0,0|2,0,0]=4 6798 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,2,0,0,0,0|1,0,1]=4 6799 B10R0.78 CSCCN(C)COC(=O)C 269982a_100000686725_100000076356 [0,2,0,0,0,0|2,0,0]=4 6800 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [0,2,0,0,0,0|1,0,1]=4 6801 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [0,2,0,0,0,0|1,0,1]=4 6802 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [0,2,0,0,0,0|1,0,1]=4 6803 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,2,0,0,0,0|1,0,1]=4 6804 B10R0.97 C=C(C)COCCOC(=O)N 34a_100000210245_200011214921 [0,2,0,0,0,0|1,0,1]=4 6805 B10R0.97 C=C(C)COCCOC(=O)N 7a_100000766696_100000748629 [0,2,0,0,0,0|1,0,1]=4 6806 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [0,2,0,0,0,0|1,0,1]=4 6807 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [0,2,0,0,0,0|1,0,1]=4 6808 B10R0.97 C=C(C)CSCCOC(=O)N 62a_100000748629_200011214921 [0,2,0,0,0,0|1,0,1]=4 6809 B10R0.97 C=C(C)CSCCOC(=O)N 62a_200011214921_100000211660 [0,2,0,0,0,0|1,0,1]=4 6810 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,2,0,0,0,0|1,0,1]=4 6811 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,2,0,0,0,0|1,0,0]=3 6812 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,2,0,0,0,0|1,0,0]=3 6813 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,2,0,0,0,0|2,0,0]=4 6814 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,2,0,0,0,0|0,0,1]=3 6815 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,2,0,0,0,0|2,0,0]=4 6816 B10R0.97 CC(=O)CCCCO[N+](=O)[O-] 1458a_100000070787_100015694321 [0,2,0,0,0,0|1,0,1]=4 6817 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,2,0,0,0,0|0,1,1]=4 6818 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,2,0,0,0,0|2,0,0]=4 6819 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,2,0,0,0,0|2,0,0]=4 6820 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,2,0,0,0,0|2,0,0]=4 6821 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,2,0,0,0,0|2,0,0]=4 6822 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,2,0,0,0,0|2,0,0]=4 6823 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,2,0,0,0,0|2,0,0]=4 6824 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,2,0,0,0,0|2,0,0]=4 6825 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,2,0,0,0,0|2,0,0]=4 6826 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,2,0,0,0,0|2,0,0]=4 6827 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,2,0,0,0,0|2,0,0]=4 6828 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,2,0,0,0,0|2,0,0]=4 6829 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,2,0,0,0,0|2,0,0]=4 6830 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,2,0,0,0,0|2,0,0]=4 6831 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,2,0,0,0,0|2,0,0]=4 6832 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,2,0,0,0,0|2,0,0]=4 6833 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,2,0,0,0,0|2,0,0]=4 6834 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,2,0,0,0,0|2,0,0]=4 6835 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,2,0,0,0,0|2,0,0]=4 6836 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,2,0,0,0,0|2,0,0]=4 6837 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,2,0,0,0,0|2,0,0]=4 6838 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,2,0,0,0,0|2,0,0]=4 6839 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,2,0,0,0,0|2,0,0]=4 6840 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,2,0,0,0,0|2,0,0]=4 6841 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,2,0,0,0,0|2,0,0]=4 6842 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,2,0,0,0,0|2,0,0]=4 6843 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,2,0,0,0,0|2,0,0]=4 6844 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,2,0,0,0,0|1,0,1]=4 6845 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,2,0,0,0,0|2,0,0]=4 6846 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,2,0,0,0,0|2,0,0]=4 6847 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,2,0,0,0,0|2,0,0]=4 6848 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,2,0,0,0,0|2,0,0]=4 6849 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,2,0,0,0,0|1,0,1]=4 6850 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,2,0,0,0,0|1,0,1]=4 6851 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,2,0,0,0,0|2,0,0]=4 6852 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,2,0,0,0,0|2,0,0]=4 6853 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,2,0,0,0,0|1,0,1]=4 6854 B10R0.97 CC(=O)COCCOC(=O)N 34a_100000211253_200011214921 [0,2,0,0,0,0|1,0,1]=4 6855 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,2,0,0,0,0|2,0,0]=4 6856 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [0,2,0,0,0,0|2,0,0]=4 6857 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [0,2,0,0,0,0|2,0,0]=4 6858 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [0,2,0,0,0,0|2,0,0]=4 6859 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [0,2,0,0,0,0|2,0,0]=4 6860 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [0,2,0,0,0,0|2,0,0]=4 6861 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [0,2,0,0,0,0|2,0,0]=4 6862 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,2,0,0,0,0|2,0,0]=4 6863 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,2,0,0,0,0|2,0,0]=4 6864 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,2,0,0,0,0|2,0,0]=4 6865 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,2,0,0,0,0|2,0,0]=4 6866 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,2,0,0,0,0|2,0,0]=4 6867 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,2,0,0,0,0|2,0,0]=4 6868 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,2,0,0,0,0|2,0,0]=4 6869 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,2,0,0,0,0|2,0,0]=4 6870 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,2,0,0,0,0|2,0,0]=4 6871 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,2,0,0,0,0|2,0,0]=4 6872 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,2,0,0,0,0|2,0,0]=4 6873 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,2,0,0,0,0|2,0,0]=4 6874 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,2,0,0,0,0|2,0,0]=4 6875 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,2,0,0,0,0|2,0,0]=4 6876 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,2,0,0,0,0|1,0,0]=3 6877 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,2,0,0,0,0|1,0,0]=3 6878 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,2,0,0,0,0|1,0,0]=3 6879 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,2,0,0,0,0|1,0,0]=3 6880 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,2,0,0,0,0|1,0,0]=3 6881 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,2,0,0,0,0|1,0,0]=3 6882 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,2,0,0,0,0|1,0,0]=3 6883 B10R0.97 CC(=O)OCCNCC(F)F 34a_100000765723_100009814007 [0,2,0,0,0,0|2,0,0]=4 6884 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,2,0,0,0,0|1,0,0]=3 6885 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,2,0,0,0,0|1,0,0]=3 6886 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,2,0,0,0,0|1,0,0]=3 6887 B10R0.97 CC(=O)OCCOCC(F)F 34a_100000743014_100009814007 [0,2,0,0,0,0|2,0,0]=4 6888 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [0,2,0,0,0,0|2,0,0]=4 6889 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,2,0,0,0,0|1,0,0]=3 6890 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,2,0,0,0,0|1,0,0]=3 6891 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,2,0,0,0,0|1,0,0]=3 6892 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,2,0,0,0,0|1,0,0]=3 6893 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,2,0,0,0,0|1,0,0]=3 6894 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,2,0,0,0,0|1,0,0]=3 6895 B10R0.97 CC(=O)OCCSCC(F)F 62a_100009814007_100011934356 [0,2,0,0,0,0|2,0,0]=4 6896 B10R0.97 CC(=O)OCCSCC(F)F 62a_100011934356_100009814007 [0,2,0,0,0,0|2,0,0]=4 6897 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,2,0,0,0,0|1,0,0]=3 6898 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,2,0,0,0,0|1,0,0]=3 6899 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,2,0,0,0,0|1,0,0]=3 6900 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,2,0,0,0,0|1,0,0]=3 6901 B10R0.97 CC(=O)OCOCCC(F)F 34a_100103093639_100009813279 [0,2,0,0,0,0|2,0,0]=4 6902 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,2,0,0,0,0|1,0,0]=3 6903 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,2,0,0,0,0|1,0,0]=3 6904 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,2,0,0,0,0|1,0,0]=3 6905 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,2,0,0,0,0|1,0,0]=3 6906 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,2,0,0,0,0|1,0,0]=3 6907 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [0,2,0,0,0,0|2,0,0]=4 6908 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [0,2,0,0,0,0|2,0,0]=4 6909 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [0,2,0,0,0,0|2,0,0]=4 6910 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,2,0,0,0,0|1,1,0]=4 6911 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,2,0,0,0,0|1,1,0]=4 6912 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,2,0,0,0,0|1,1,0]=4 6913 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,2,0,0,0,0|1,1,0]=4 6914 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,2,0,0,0,0|1,1,0]=4 6915 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,2,0,0,0,0|1,1,0]=4 6916 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,2,0,0,0,0|1,1,0]=4 6917 B10R0.97 CC(=S)OCCCNC(C)C 2230a_100138425928_200135323944 [0,2,0,0,0,0|1,1,0]=4 6918 B10R0.97 CC(=S)OCCCNC(C)C 34a_100138425928_200135323944 [0,2,0,0,0,0|1,1,0]=4 6919 B10R0.97 CC(=S)OCCCOC(C)C 34a_100000212225_200135323944 [0,2,0,0,0,0|1,1,0]=4 6920 B10R0.97 CC(=S)OCCCSC(C)C 62a_100000210206_200135323944 [0,2,0,0,0,0|1,1,0]=4 6921 B10R0.97 CC(=S)OCCCSC(C)C 62a_200135323944_100000210206 [0,2,0,0,0,0|1,1,0]=4 6922 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [0,2,0,0,0,0|2,0,0]=4 6923 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [0,2,0,0,0,0|2,0,0]=4 6924 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,2,0,0,0,0|1,0,0]=3 6925 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,2,0,0,0,0|1,0,0]=3 6926 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [0,2,0,0,0,0|1,0,1]=4 6927 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [0,2,0,0,0,0|1,0,1]=4 6928 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [0,2,0,0,0,0|1,0,1]=4 6929 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,2,0,0,0,0|2,0,0]=4 6930 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,2,0,0,0,0|2,0,0]=4 6931 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,2,0,0,0,0|2,0,0]=4 6932 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,2,0,0,0,0|2,0,0]=4 6933 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,2,0,0,0,0|2,0,0]=4 6934 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,2,0,0,0,0|2,0,0]=4 6935 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,2,0,0,0,0|2,0,0]=4 6936 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,2,0,0,0,0|2,0,0]=4 6937 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,2,0,0,0,0|2,0,0]=4 6938 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,2,0,0,0,0|2,0,0]=4 6939 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,2,0,0,0,0|2,0,0]=4 6940 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,2,0,0,0,0|2,0,0]=4 6941 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,2,0,0,0,0|2,0,0]=4 6942 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,2,0,0,0,0|2,0,0]=4 6943 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,2,0,0,0,0|2,0,0]=4 6944 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,2,0,0,0,0|2,0,0]=4 6945 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,2,0,0,0,0|2,0,0]=4 6946 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,2,0,0,0,0|2,0,0]=4 6947 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,2,0,0,0,0|2,0,0]=4 6948 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,2,0,0,0,0|2,0,0]=4 6949 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,2,0,0,0,0|2,0,0]=4 6950 B10R0.97 CC(C)CNCCNC(=O)N 2230a_100000210953_200000034859 [0,2,0,0,0,0|2,0,0]=4 6951 B10R0.97 CC(C)CNCCNC(=O)N 34a_100020590234_100000210624 [0,2,0,0,0,0|2,0,0]=4 6952 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,2,0,0,0,0|1,0,0]=3 6953 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,2,0,0,0,0|2,0,0]=4 6954 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [0,2,0,0,0,0|2,0,0]=4 6955 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,2,0,0,0,0|1,0,0]=3 6956 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,2,0,0,0,0|1,0,0]=3 6957 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,2,0,0,0,0|2,0,0]=4 6958 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,2,0,0,0,0|2,0,0]=4 6959 B10R0.97 CC(C)CSCCNC(=O)N 62a_100000210624_200000034859 [0,2,0,0,0,0|2,0,0]=4 6960 B10R0.97 CC(C)CSCCNC(=O)N 62a_200000034859_100000210760 [0,2,0,0,0,0|2,0,0]=4 6961 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,2,0,0,0,0|1,0,0]=3 6962 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,2,0,0,0,0|1,0,0]=3 6963 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,2,0,0,0,0|2,0,0]=4 6964 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,2,0,0,0,0|2,0,0]=4 6965 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,2,0,0,0,0|2,0,0]=4 6966 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [0,2,0,0,0,0|2,0,0]=4 6967 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,2,0,0,0,0|1,0,0]=3 6968 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,2,0,0,0,0|2,0,0]=4 6969 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,2,0,0,0,0|2,0,0]=4 6970 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,2,0,0,0,0|2,0,0]=4 6971 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,2,0,0,0,0|2,0,0]=4 6972 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,2,0,0,0,0|2,0,0]=4 6973 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,2,0,0,0,0|2,0,0]=4 6974 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,2,0,0,0,0|2,0,0]=4 6975 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,2,0,0,0,0|2,0,0]=4 6976 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,2,0,0,0,0|2,0,0]=4 6977 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,2,0,0,0,0|2,0,0]=4 6978 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,2,0,0,0,0|2,0,0]=4 6979 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,2,0,0,0,0|2,0,0]=4 6980 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,2,0,0,0,0|2,0,0]=4 6981 B10R0.97 CC(O)CNCCNC(=O)N 2230a_100000210904_200000034859 [0,2,0,0,0,0|2,0,0]=4 6982 B10R0.97 CC(O)CNCCNC(=O)N 34a_100020590234_100011218427 [0,2,0,0,0,0|2,0,0]=4 6983 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,2,0,0,0,0|1,0,0]=3 6984 B10R0.97 CC(O)COCCNC(=O)N 34a_100000181757_100011218427 [0,2,0,0,0,0|2,0,0]=4 6985 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,2,0,0,0,0|1,0,0]=3 6986 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,2,0,0,0,0|2,0,0]=4 6987 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,2,0,0,0,0|2,0,0]=4 6988 B10R0.97 CC(O)CSCCNC(=O)N 62a_100011218427_200000034859 [0,2,0,0,0,0|2,0,0]=4 6989 B10R0.97 CC(O)CSCCNC(=O)N 62a_200000034859_100011218427 [0,2,0,0,0,0|2,0,0]=4 6990 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,2,0,0,0,0|1,0,0]=3 6991 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,2,0,0,0,0|1,0,0]=3 6992 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,2,0,0,0,0|2,0,0]=4 6993 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,2,0,0,0,0|2,0,0]=4 6994 B10R0.97 CN(C)CCCCO[N+](=O)[O-] 269982a_100102631434_100015694321 [0,2,0,0,0,0|2,0,0]=4 6995 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [0,2,0,0,0,0|2,0,0]=4 6996 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,2,0,0,0,0|1,0,0]=3 6997 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [0,2,0,0,0,0|2,0,0]=4 6998 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [0,2,0,0,0,0|2,0,0]=4 6999 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,2,0,0,0,0|1,0,0]=3 7000 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,2,0,0,0,0|2,0,0]=4 7001 B10R0.97 C[C@@H](O)CNCCNC(=O)N 34a_100020590234_100009817552 [0,2,0,0,0,0|2,0,0]=4 7002 B10R0.97 C[C@@H](O)COCCNC(=O)N 34a_100000181757_100009817552 [0,2,0,0,0,0|2,0,0]=4 7003 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,2,0,0,0,0|1,0,0]=3 7004 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,2,0,0,0,0|2,0,0]=4 7005 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,2,0,0,0,0|2,0,0]=4 7006 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_100009817552_200000034859 [0,2,0,0,0,0|2,0,0]=4 7007 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_200000034859_100009817552 [0,2,0,0,0,0|2,0,0]=4 7008 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,2,0,0,0,0|1,0,0]=3 7009 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,2,0,0,0,0|1,0,0]=3 7010 B10R0.97 NC(=O)OCCNCC(F)F 34a_100000765723_200011214921 [0,2,0,0,0,0|2,0,0]=4 7011 B10R0.97 NC(=O)OCCOCC(F)F 34a_100000743014_200011214921 [0,2,0,0,0,0|2,0,0]=4 7012 B10R0.97 NC(=O)OCCOCC(F)F 7a_100000766696_100011934356 [0,2,0,0,0,0|2,0,0]=4 7013 B10R0.97 NC(=O)OCCSCC(F)F 62a_100011934356_200011214921 [0,2,0,0,0,0|2,0,0]=4 7014 B10R0.97 NC(=O)OCCSCC(F)F 62a_200011214921_100011934356 [0,2,0,0,0,0|2,0,0]=4 7015 B10R0.1 C#CCOCCC(C)CCC 34a_100011217855_100000184674 [0,2,0,0,0,0|1,0,1]=4 7016 B10R0.1 C#CCOCCC(C)CCC 7a_100011217855_100000038162 [0,2,0,0,0,0|1,0,1]=4 7017 B10R0.1 C#CCOCC[C@@H](N)CCC 34a_100015193777_100000184674 [0,2,0,0,0,0|1,0,1]=4 7018 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,2,0,0,0,0|2,0,0]=4 7019 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [0,2,0,0,0,0|2,0,0]=4 7020 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [0,2,0,0,0,0|2,0,0]=4 7021 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [0,2,0,0,0,0|2,0,0]=4 7022 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [0,2,0,0,0,0|2,0,0]=4 7023 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [0,2,0,0,0,0|2,0,0]=4 7024 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [0,2,0,0,0,0|2,0,0]=4 7025 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [0,2,0,0,0,0|2,0,0]=4 7026 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|2,0,0]=4 7027 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|2,0,0]=4 7028 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,2,0,0,0,0|2,0,0]=4 7029 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,2,0,0,0,0|2,0,0]=4 7030 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|2,0,0]=4 7031 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|2,0,0]=4 7032 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [0,2,0,0,0,0|2,0,0]=4 7033 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [0,2,0,0,0,0|2,0,0]=4 7034 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [0,2,0,0,0,0|2,0,0]=4 7035 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [0,2,0,0,0,0|2,0,0]=4 7036 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [0,2,0,0,0,0|2,0,0]=4 7037 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [0,2,0,0,0,0|2,0,0]=4 7038 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [0,2,0,0,0,0|2,0,0]=4 7039 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [0,2,0,0,0,0|2,0,0]=4 7040 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,2,0,0,0,0|2,0,0]=4 7041 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,2,0,0,0,0|2,0,0]=4 7042 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,2,0,0,0,0|2,0,0]=4 7043 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,2,0,0,0,0|2,0,0]=4 7044 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [0,2,0,0,0,0|2,0,0]=4 7045 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [0,2,0,0,0,0|2,0,0]=4 7046 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [0,2,0,0,0,0|2,0,0]=4 7047 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [0,2,0,0,0,0|2,0,0]=4 7048 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [0,2,0,0,0,0|2,0,0]=4 7049 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [0,2,0,0,0,0|2,0,0]=4 7050 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [0,2,0,0,0,0|2,0,0]=4 7051 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [0,2,0,0,0,0|2,0,0]=4 7052 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [0,2,0,0,0,0|2,0,0]=4 7053 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [0,2,0,0,0,0|2,0,0]=4 7054 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,2,0,0,0,0|2,0,0]=4 7055 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,2,0,0,0,0|2,0,0]=4 7056 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,2,0,0,0,0|2,0,0]=4 7057 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,2,0,0,0,0|2,0,0]=4 7058 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,2,0,0,0,0|1,0,1]=4 7059 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [0,2,0,0,0,0|1,0,0]=3 7060 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [0,2,0,0,0,0|1,0,0]=3 7061 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [0,2,0,0,0,0|1,0,0]=3 7062 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,2,0,0,0,0|2,0,0]=4 7063 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,2,0,0,0,0|2,0,0]=4 7064 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,2,0,0,0,0|2,0,0]=4 7065 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,2,0,0,0,0|1,0,1]=4 7066 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,2,0,0,0,0|1,0,1]=4 7067 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,2,0,0,0,0|1,0,1]=4 7068 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,2,0,0,0,0|1,0,1]=4 7069 B10R0.1 C=COCCNC(C)CCC 2230a_100000741246_100000039644 [0,2,0,0,0,0|1,0,0]=3 7070 B10R0.1 C=COCCN[C@H](C)CCO 2230a_100000706166_100000039644 [0,2,0,0,0,0|2,0,0]=4 7071 B10R0.1 C=COCCN[C@H](C)CCO 34a_100000706166_100000039644 [0,2,0,0,0,0|2,0,0]=4 7072 B10R0.1 C=COCCN[C@H](C)COC 2230a_100000764878_100000039644 [0,2,0,0,0,0|2,0,0]=4 7073 B10R0.1 C=COCCOC(C)CCBr 34a_100012276601_100000039644 [0,2,0,0,0,0|2,0,0]=4 7074 B10R0.1 C=COCCOC(C)CCC 34a_100000033082_100000766640 [0,2,0,0,0,0|1,0,0]=3 7075 B10R0.1 C=COCCOC(C)CCC 34a_100000764384_100000039644 [0,2,0,0,0,0|1,0,0]=3 7076 B10R0.1 C=COCCOC(C)CCC 7a_100000764384_100000039644 [0,2,0,0,0,0|1,0,0]=3 7077 B10R0.1 C=COCCOC(C)CCO 34a_100000033082_100009893172 [0,2,0,0,0,0|2,0,0]=4 7078 B10R0.1 C=COCCOC(C)COC 34a_100000033082_100000765312 [0,2,0,0,0,0|2,0,0]=4 7079 B10R0.1 C=COCCO[C@H](C)COC 34a_100011934205_100000039644 [0,2,0,0,0,0|2,0,0]=4 7080 B10R0.1 C=COCCSC(C)CCC 62a_100000039644_100000766640 [0,2,0,0,0,0|1,0,0]=3 7081 B10R0.1 C=COCCSC(C)CCC 62a_100000766640_100000039644 [0,2,0,0,0,0|1,0,0]=3 7082 B10R0.1 C=COCCSC(C)CCO 62a_100000039644_100009893172 [0,2,0,0,0,0|2,0,0]=4 7083 B10R0.1 C=COCCSC(C)CCO 62a_100009893172_100000039644 [0,2,0,0,0,0|2,0,0]=4 7084 B10R0.1 C=COCCSC(C)COC 62a_100000039644_100000765312 [0,2,0,0,0,0|2,0,0]=4 7085 B10R0.1 C=COCCSC(C)COC 62a_100000765312_100000039644 [0,2,0,0,0,0|2,0,0]=4 7086 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [0,2,0,0,0,0|2,0,0]=4 7087 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [0,2,0,0,0,0|2,0,0]=4 7088 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|2,0,0]=4 7089 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [0,2,0,0,0,0|2,0,0]=4 7090 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [0,2,0,0,0,0|2,0,0]=4 7091 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [0,2,0,0,0,0|2,0,0]=4 7092 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [0,2,0,0,0,0|2,0,0]=4 7093 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [0,2,0,0,0,0|2,0,0]=4 7094 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|1,0,1]=4 7095 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,2,0,0,0,0|1,0,1]=4 7096 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,2,0,0,0,0|1,0,1]=4 7097 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [0,2,0,0,0,0|1,0,1]=4 7098 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [0,2,0,0,0,0|1,0,1]=4 7099 B10R0.1 CCCC(C)CCOCC#N 7a_100011217855_100011215382 [0,2,0,0,0,0|1,0,1]=4 7100 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [0,2,0,0,0,0|0,0,0]=2 7101 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [0,2,0,0,0,0|0,0,0]=2 7102 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [0,2,0,0,0,0|1,0,1]=4 7103 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [0,2,0,0,0,0|1,0,1]=4 7104 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,2,0,0,0,0|0,0,2]=4 7105 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,2,0,0,0,0|0,0,2]=4 7106 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [0,2,0,0,0,0|0,1,1]=4 7107 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [0,2,0,0,0,0|1,0,1]=4 7108 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [0,2,0,0,0,0|1,0,1]=4 7109 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [0,2,0,0,0,0|1,0,0]=3 7110 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [0,2,0,0,0,0|1,0,1]=4 7111 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [0,2,0,0,0,0|1,0,1]=4 7112 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [0,2,0,0,0,0|1,0,1]=4 7113 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [0,2,0,0,0,0|1,0,1]=4 7114 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,2,0,0,0,0|1,0,0]=3 7115 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [0,2,0,0,0,0|1,0,1]=4 7116 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [0,2,0,0,0,0|1,0,1]=4 7117 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [0,2,0,0,0,0|1,0,1]=4 7118 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [0,2,0,0,0,0|1,0,1]=4 7119 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [0,2,0,0,0,0|1,0,0]=3 7120 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [0,2,0,0,0,0|1,0,0]=3 7121 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [0,2,0,0,0,0|1,0,1]=4 7122 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [0,2,0,0,0,0|1,0,1]=4 7123 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|2,0,0]=4 7124 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|2,0,0]=4 7125 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|2,0,0]=4 7126 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,2,0,0,0,0|1,0,1]=4 7127 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,2,0,0,0,0|1,0,1]=4 7128 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,2,0,0,0,0|1,0,1]=4 7129 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,2,0,0,0,0|1,0,1]=4 7130 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,2,0,0,0,0|1,0,1]=4 7131 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,2,0,0,0,0|1,0,0]=3 7132 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,2,0,0,0,0|1,0,0]=3 7133 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,2,0,0,0,0|1,0,1]=4 7134 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,2,0,0,0,0|1,0,1]=4 7135 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,2,0,0,0,0|1,0,1]=4 7136 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,2,0,0,0,0|1,0,1]=4 7137 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [0,2,0,0,0,0|1,0,0]=3 7138 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [0,2,0,0,0,0|1,0,0]=3 7139 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [0,2,0,0,0,0|1,0,1]=4 7140 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [0,2,0,0,0,0|1,0,1]=4 7141 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,2,0,0,0,0|1,0,1]=4 7142 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,2,0,0,0,0|1,0,1]=4 7143 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,2,0,0,0,0|1,0,1]=4 7144 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [0,2,0,0,0,0|0,0,0]=2 7145 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [0,2,0,0,0,0|1,0,1]=4 7146 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,2,0,0,0,0|0,0,2]=4 7147 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [0,2,0,0,0,0|0,1,1]=4 7148 B10R0.1 CN(CC=O)CCCCCO 2230a_100000722520_200015260668 [0,2,0,0,0,0|2,0,0]=4 7149 B10R0.1 CN(CC=O)CCCCCO 269982a_100000722520_200015260668 [0,2,0,0,0,0|2,0,0]=4 7150 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [0,2,0,0,0,0|2,0,0]=4 7151 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [0,2,0,0,0,0|2,0,0]=4 7152 B10R0.1 COCC(C)SCCCC=O 62a_100000765312_200011292268 [0,2,0,0,0,0|2,0,0]=4 7153 B10R0.1 COCC(C)SCCCC=O 62a_200011292268_100000765312 [0,2,0,0,0,0|2,0,0]=4 7154 B10R0.1 COC[C@@H](C)NCCCC=O 2230a_100000764878_200011292268 [0,2,0,0,0,0|2,0,0]=4 7155 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [0,2,0,0,0,0|2,0,0]=4 7156 B10R0.19 CCCC(C)C(C)OCC=O 34a_100000708338_200009817547 [0,2,0,0,0,0|2,0,0]=4 7157 B10R0.19 CCCC(C)C(C)OCC=O 7a_100000708338_200015260668 [0,2,0,0,0,0|2,0,0]=4 7158 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [0,2,0,0,0,0|1,0,1]=4 7159 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [0,2,0,0,0,0|1,0,1]=4 7160 B10R0.24 C#CC(CCCCC)OCF 34a_100011216489_100015361967 [0,2,0,0,0,0|1,0,1]=4 7161 B10R0.24 C#CC(CCCCC)OCF 7a_100011216489_100015361967 [0,2,0,0,0,0|1,0,1]=4 7162 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [0,2,0,0,0,0|1,0,1]=4 7163 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [0,2,0,0,0,0|1,0,1]=4 7164 B10R0.24 C=CC(CCCCC)OCF 34a_100011216863_100015361967 [0,2,0,0,0,0|1,0,1]=4 7165 B10R0.24 C=CC(CCCCC)OCF 7a_100011216863_100015361967 [0,2,0,0,0,0|1,0,1]=4 7166 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [0,2,0,0,0,0|2,0,0]=4 7167 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [0,2,0,0,0,0|2,0,0]=4 7168 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [0,2,0,0,0,0|2,0,0]=4 7169 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [0,2,0,0,0,0|2,0,0]=4 7170 B10R0.24 C=COCCN(CC)CCC 2230a_100000226822_100000039644 [0,2,0,0,0,0|2,0,0]=4 7171 B10R0.24 C=COCCN(CC)CCC 269982a_100000226822_100000039644 [0,2,0,0,0,0|2,0,0]=4 7172 B10R0.24 CCCC(CCOCC)SC 34a_100000032865_100000210202 [0,2,0,0,0,0|1,0,1]=4 7173 B10R0.24 CCCC(CCOCC)SC 7a_100000032865_100000210202 [0,2,0,0,0,0|1,0,1]=4 7174 B10R0.24 CCCC(CCOCF)SC 34a_100000032865_100015361967 [0,2,0,0,0,0|1,0,1]=4 7175 B10R0.24 CCCC(CCOCF)SC 7a_100000032865_100015361967 [0,2,0,0,0,0|1,0,1]=4 7176 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [0,2,0,0,0,0|1,0,1]=4 7177 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [0,2,0,0,0,0|1,0,1]=4 7178 B10R0.24 CCCCCC(CC)OCF 34a_100011215405_100015361967 [0,2,0,0,0,0|1,0,1]=4 7179 B10R0.24 CCCCCC(CC)OCF 7a_100011215405_100015361967 [0,2,0,0,0,0|1,0,1]=4 7180 B10R0.24 CCCN(CC)CCCC=O 2230a_100000226822_200011292268 [0,2,0,0,0,0|2,0,0]=4 7181 B10R0.24 CCCN(CC)CCCC=O 269982a_100000226822_200011292268 [0,2,0,0,0,0|2,0,0]=4 7182 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|2,0,0]=4 7183 B10R0.83 C=COCCC(=O)C(C)CC 1458a_100011192722_100000039644 [0,2,0,0,0,0|1,0,1]=4 7184 B10R0.83 C=COCCC(=O)C(O)CC 1458a_100011196387_100000039644 [0,2,0,0,0,0|1,0,1]=4 7185 B10R0.83 C=COCCN(C)C(C)CC 2230a_100000741768_100000039644 [0,2,0,0,0,0|2,0,0]=4 7186 B10R0.83 C=COCCN(C)C(C)CC 269982a_100000741768_100000039644 [0,2,0,0,0,0|2,0,0]=4 7187 B10R0.83 CCC(C)N(C)CCCC=O 2230a_100000741768_200011292268 [0,2,0,0,0,0|2,0,0]=4 7188 B10R0.83 CCC(C)N(C)CCCC=O 269982a_100000741768_200011292268 [0,2,0,0,0,0|2,0,0]=4 7189 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [0,2,0,0,0,0|1,0,1]=4 7190 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [0,2,0,0,0,0|1,0,1]=4 7191 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [0,2,0,0,0,0|1,0,1]=4 7192 B10R0.91 C#CCOCC(C)CCCC 34a_100011995851_100000184674 [0,2,0,0,0,0|1,0,1]=4 7193 B10R0.91 C#CCOCC(C)CCCC 7a_100011995851_100000038162 [0,2,0,0,0,0|1,0,1]=4 7194 B10R0.91 C#CCOC[C@@H](N)CCCC 34a_100011934283_100000184674 [0,2,0,0,0,0|1,0,1]=4 7195 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|2,0,0]=4 7196 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,2,0,0,0,0|2,0,0]=4 7197 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [0,2,0,0,0,0|2,0,0]=4 7198 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [0,2,0,0,0,0|2,0,0]=4 7199 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [0,2,0,0,0,0|2,0,0]=4 7200 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [0,2,0,0,0,0|2,0,0]=4 7201 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [0,2,0,0,0,0|2,0,0]=4 7202 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|2,0,0]=4 7203 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|2,0,0]=4 7204 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,2,0,0,0,0|2,0,0]=4 7205 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,2,0,0,0,0|2,0,0]=4 7206 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,2,0,0,0,0|2,0,0]=4 7207 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,2,0,0,0,0|2,0,0]=4 7208 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,2,0,0,0,0|2,0,0]=4 7209 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [0,2,0,0,0,0|2,0,0]=4 7210 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [0,2,0,0,0,0|2,0,0]=4 7211 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,2,0,0,0,0|2,0,0]=4 7212 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,2,0,0,0,0|2,0,0]=4 7213 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,2,0,0,0,0|2,0,0]=4 7214 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,2,0,0,0,0|2,0,0]=4 7215 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [0,2,0,0,0,0|2,0,0]=4 7216 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [0,2,0,0,0,0|2,0,0]=4 7217 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [0,2,0,0,0,0|2,0,0]=4 7218 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [0,2,0,0,0,0|2,0,0]=4 7219 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [0,2,0,0,0,0|2,0,0]=4 7220 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [0,2,0,0,0,0|2,0,0]=4 7221 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [0,2,0,0,0,0|2,0,0]=4 7222 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [0,2,0,0,0,0|2,0,0]=4 7223 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,2,0,0,0,0|2,0,0]=4 7224 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,2,0,0,0,0|2,0,0]=4 7225 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,2,0,0,0,0|2,0,0]=4 7226 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,2,0,0,0,0|1,0,0]=3 7227 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,2,0,0,0,0|1,0,0]=3 7228 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,2,0,0,0,0|1,0,0]=3 7229 B10R0.91 C=CCOC(C)CCCOC 34a_200011539412_100015514636 [0,2,0,0,0,0|2,0,0]=4 7230 B10R0.91 C=CCOC(C)CCCOC 7a_200011539412_100015514636 [0,2,0,0,0,0|2,0,0]=4 7231 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [0,2,0,0,0,0|1,0,0]=3 7232 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [0,2,0,0,0,0|1,0,0]=3 7233 B10R0.91 C=CCOC[C@@H](N)CCCC 34a_100011934283_100015514636 [0,2,0,0,0,0|1,0,0]=3 7234 B10R0.91 C=CCOC[C@@H](N)CCSC 34a_100011827619_100015514636 [0,2,0,0,0,0|2,0,0]=4 7235 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,2,0,0,0,0|1,1,0]=4 7236 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,2,0,0,0,0|1,1,0]=4 7237 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [0,2,0,0,0,0|1,0,0]=3 7238 B10R0.91 C=COCCC(=O)CCOC 1458a_100000749529_100000039644 [0,2,0,0,0,0|1,0,1]=4 7239 B10R0.91 C=COCCC(=O)CCSC 1458a_100000174002_100000039644 [0,2,0,0,0,0|1,0,1]=4 7240 B10R0.91 C=COCCC(=O)COCC 1458a_100000211967_100000039644 [0,2,0,0,0,0|1,0,1]=4 7241 B10R0.91 C=COCCC(=O)CSCC 1458a_100000230394_100000039644 [0,2,0,0,0,0|1,0,1]=4 7242 B10R0.91 C=COCCN(C)CCCC 2230a_100000207549_100000039644 [0,2,0,0,0,0|1,0,0]=3 7243 B10R0.91 C=COCCN(C)CCCC 269982a_100000207549_100000039644 [0,2,0,0,0,0|1,0,0]=3 7244 B10R0.91 C=COCCN(C)CCCO 2230a_100000213112_100000039644 [0,2,0,0,0,0|2,0,0]=4 7245 B10R0.91 C=COCCN(C)CCCO 269982a_100000213112_100000039644 [0,2,0,0,0,0|2,0,0]=4 7246 B10R0.91 C=COCCN(C)CCOC 2230a_100000743101_100000039644 [0,2,0,0,0,0|2,0,0]=4 7247 B10R0.91 C=COCCN(C)CCOC 269982a_100000743101_100000039644 [0,2,0,0,0,0|2,0,0]=4 7248 B10R0.91 C=COCCN(C)CCSC 2230a_100000686725_100000039644 [0,2,0,0,0,0|2,0,0]=4 7249 B10R0.91 C=COCCN(C)CCSC 269982a_100000686725_100000039644 [0,2,0,0,0,0|2,0,0]=4 7250 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|2,0,0]=4 7251 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|2,0,0]=4 7252 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,2,0,0,0,0|2,0,0]=4 7253 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [0,2,0,0,0,0|2,0,0]=4 7254 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [0,2,0,0,0,0|2,0,0]=4 7255 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [0,2,0,0,0,0|2,0,0]=4 7256 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [0,2,0,0,0,0|2,0,0]=4 7257 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [0,2,0,0,0,0|2,0,0]=4 7258 B10R0.91 CCC#CCC(C)OCC=O 34a_200000035118_200009817547 [0,2,0,0,0,0|0,0,2]=4 7259 B10R0.91 CCC#CCC(C)OCC=O 7a_200000035118_200015260668 [0,2,0,0,0,0|0,0,2]=4 7260 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,2,0,0,0,0|1,0,1]=4 7261 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,2,0,0,0,0|1,0,1]=4 7262 B10R0.91 CCCCC(C)COCC#N 7a_100011995851_100011215382 [0,2,0,0,0,0|1,0,1]=4 7263 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [0,2,0,0,0,0|0,0,0]=2 7264 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [0,2,0,0,0,0|0,0,0]=2 7265 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,2,0,0,0,0|1,0,1]=4 7266 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,2,0,0,0,0|1,0,1]=4 7267 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [0,2,0,0,0,0|1,0,1]=4 7268 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [0,2,0,0,0,0|1,0,1]=4 7269 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [0,2,0,0,0,0|0,0,2]=4 7270 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [0,2,0,0,0,0|0,0,2]=4 7271 B10R0.91 CCCCC(C)COCSC 34a_100011995851_100011218213 [0,2,0,0,0,0|0,1,1]=4 7272 B10R0.91 CCCCC(C)SCOCC 62a_100000739092_200011215066 [0,2,0,0,0,0|1,0,1]=4 7273 B10R0.91 CCCCC(C)SCOCC 62a_200011215066_100000739092 [0,2,0,0,0,0|1,0,1]=4 7274 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|1,0,1]=4 7275 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|1,0,1]=4 7276 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,2,0,0,0,0|1,0,0]=3 7277 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [0,2,0,0,0,0|1,0,1]=4 7278 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,2,0,0,0,0|0,0,0]=2 7279 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,2,0,0,0,0|0,0,0]=2 7280 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,2,0,0,0,0|1,0,1]=4 7281 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,2,0,0,0,0|1,0,1]=4 7282 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,2,0,0,0,0|1,0,1]=4 7283 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,2,0,0,0,0|1,0,1]=4 7284 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,2,0,0,0,0|1,0,1]=4 7285 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,2,0,0,0,0|1,0,1]=4 7286 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,2,0,0,0,0|1,0,1]=4 7287 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,2,0,0,0,0|0,0,2]=4 7288 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,2,0,0,0,0|0,0,2]=4 7289 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,2,0,0,0,0|0,1,1]=4 7290 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,2,0,0,0,0|0,1,0]=3 7291 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,2,0,0,0,0|0,1,0]=3 7292 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [0,2,0,0,0,0|1,0,1]=4 7293 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [0,2,0,0,0,0|1,0,0]=3 7294 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [0,2,0,0,0,0|1,0,0]=3 7295 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [0,2,0,0,0,0|1,0,1]=4 7296 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [0,2,0,0,0,0|1,0,1]=4 7297 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [0,2,0,0,0,0|1,0,1]=4 7298 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [0,2,0,0,0,0|1,0,1]=4 7299 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [0,2,0,0,0,0|0,0,0]=2 7300 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,2,0,0,0,0|1,0,1]=4 7301 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [0,2,0,0,0,0|1,0,1]=4 7302 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [0,2,0,0,0,0|0,0,2]=4 7303 B10R0.91 CCCC[C@H](N)COCSC 34a_100011934283_100011218213 [0,2,0,0,0,0|0,1,1]=4 7304 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [0,2,0,0,0,0|1,0,1]=4 7305 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [0,2,0,0,0,0|1,0,1]=4 7306 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [0,2,0,0,0,0|1,0,1]=4 7307 B10R0.91 CCCOC(C)CNCC=O 2230a_100015185124_200015260668 [0,2,0,0,0,0|2,0,0]=4 7308 B10R0.91 CCCOC(C)CNCC=O 34a_100015185124_200009817547 [0,2,0,0,0,0|2,0,0]=4 7309 B10R0.91 CCOCC(O)CNCC=O 2230a_102515437182_200015260668 [0,2,0,0,0,0|2,0,0]=4 7310 B10R0.91 CCOCC(O)CNCC=O 34a_102515437182_200009817547 [0,2,0,0,0,0|2,0,0]=4 7311 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [0,2,0,0,0,0|1,0,1]=4 7312 B10R0.91 CN(CCCO)CCCC=O 2230a_100000213112_200011292268 [0,2,0,0,0,0|2,0,0]=4 7313 B10R0.91 CN(CCCO)CCCC=O 269982a_100000213112_200011292268 [0,2,0,0,0,0|2,0,0]=4 7314 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [0,2,0,0,0,0|1,0,0]=3 7315 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [0,2,0,0,0,0|1,0,0]=3 7316 B10R0.91 COCCN(C)CCCC=O 2230a_100000743101_200011292268 [0,2,0,0,0,0|2,0,0]=4 7317 B10R0.91 COCCN(C)CCCC=O 269982a_100000743101_200011292268 [0,2,0,0,0,0|2,0,0]=4 7318 B10R0.91 COCO[C@H](C)COCC=O 34a_100016172286_200009817547 [0,2,0,0,0,0|2,0,0]=4 7319 B10R0.91 COCO[C@H](C)COCC=O 7a_100016172286_200015260668 [0,2,0,0,0,0|2,0,0]=4 7320 B10R0.91 CSCCN(C)CCCC=O 2230a_100000686725_200011292268 [0,2,0,0,0,0|2,0,0]=4 7321 B10R0.91 CSCCN(C)CCCC=O 269982a_100000686725_200011292268 [0,2,0,0,0,0|2,0,0]=4 7322 B10R0.91 CSCC[C@H](N)COCC=O 34a_100011827619_200009817547 [0,2,0,0,0,0|1,0,0]=3 7323 B10R0.91 C[C@H](CCCO)CNCC=O 2230a_100160569302_200015260668 [0,2,0,0,0,0|2,0,0]=4 7324 B10R0.91 C[C@H](CCCO)CNCC=O 34a_100160569302_200009817547 [0,2,0,0,0,0|2,0,0]=4 7325 B10R0.91 NCCCC[C@H](N)COCF 34a_100016993712_100015361967 [0,2,0,0,0,0|1,0,1]=4 7326 B10R0.108 CCC(C)CCC(C)OCF 7a_200011216552_100015361967 [0,2,0,0,0,0|1,0,1]=4 7327 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,2,0,0,0,0|1,0,1]=4 7328 B10R0.156 CCCC(C)(C)COCC=O 7a_100011995695_200015260668 [0,2,0,0,0,0|2,0,0]=4 7329 B10R0.16 C#CC(CCCC)OCC=O 34a_200011217967_200009817547 [0,2,0,0,0,0|2,0,0]=4 7330 B10R0.16 C#CC(CCCC)OCC=O 7a_200011217967_200015260668 [0,2,0,0,0,0|2,0,0]=4 7331 B10R0.16 C=CC(CCCC)OCC=O 34a_200011215037_200009817547 [0,2,0,0,0,0|2,0,0]=4 7332 B10R0.16 C=CC(CCCC)OCC=O 7a_200011215037_200015260668 [0,2,0,0,0,0|2,0,0]=4 7333 B10R0.16 CCCCC(CC)COCC 34a_100000210273_100000210202 [0,2,0,0,0,0|1,0,1]=4 7334 B10R0.16 CCCCC(CC)COCC 34a_100121572206_100000211942 [0,2,0,0,0,0|1,0,1]=4 7335 B10R0.16 CCCCC(CC)COCC 7a_100000210273_100000210202 [0,2,0,0,0,0|1,0,1]=4 7336 B10R0.16 CCCCC(CC)COCF 34a_100000210273_100015361967 [0,2,0,0,0,0|1,0,1]=4 7337 B10R0.16 CCCCC(CC)COCF 7a_100000210273_100015361967 [0,2,0,0,0,0|1,0,1]=4 7338 B10R0.16 CCCCC(CC)OCC=O 34a_100011215227_200009817547 [0,2,0,0,0,0|2,0,0]=4 7339 B10R0.16 CCCCC(CC)OCC=O 7a_100011215227_200015260668 [0,2,0,0,0,0|2,0,0]=4 7340 B10R0.16 CCCCC(CC)SCC=O 62a_200011216223_200015260668 [0,2,0,0,0,0|2,0,0]=4 7341 B10R0.16 CCCCC(CC)SCC=O 62a_200015260668_200011216223 [0,2,0,0,0,0|2,0,0]=4 7342 B10R0.16 CCCC[C@@H](CO)NCC=O 2230a_100011934283_200015260668 [0,2,0,0,0,0|2,0,0]=4 7343 B10R0.16 CCCC[C@@H](CO)NCC=O 34a_100011934283_200009817547 [0,2,0,0,0,0|2,0,0]=4 7344 B10R0.18 CCC(C)CC(C)NCC=O 2230a_100000763565_200015260668 [0,2,0,0,0,0|2,0,0]=4 7345 B10R0.116 CCCCC(C)(C)COCC 7a_200011995781_100000210202 [0,2,0,0,0,0|1,0,1]=4 7346 B10R0.116 CCCCC(C)(C)COCF 7a_200011995781_100015361967 [0,2,0,0,0,0|1,0,1]=4 7347 B10R0.116 CCCCC(C)(C)OCC=O 7a_100011219641_200015260668 [0,2,0,0,0,0|2,0,0]=4 7348 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [0,2,0,0,0,0|1,0,1]=4 7349 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [0,2,0,0,0,0|1,0,1]=4 7350 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [0,2,0,0,0,0|1,0,1]=4 7351 B10R0.71 C#CCCCCCCOCF 34a_100011217361_100015361967 [0,2,0,0,0,0|1,0,1]=4 7352 B10R0.71 C#CCCCCCCOCF 7a_100011217361_100015361967 [0,2,0,0,0,0|1,0,1]=4 7353 B10R0.71 C#CCCCCCOCC=C 34a_100000766912_100015514636 [0,2,0,0,0,0|1,0,1]=4 7354 B10R0.71 C#CCCCCCOCC=C 34a_200000210373_100012094781 [0,2,0,0,0,0|1,0,1]=4 7355 B10R0.71 C#CCCCCCOCC=C 7a_100000766912_100015514636 [0,2,0,0,0,0|1,0,1]=4 7356 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [0,2,0,0,0,0|0,0,1]=3 7357 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [0,2,0,0,0,0|0,0,1]=3 7358 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [0,2,0,0,0,0|0,1,1]=4 7359 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [0,2,0,0,0,0|0,1,1]=4 7360 B10R0.71 C#CCCCNCCOC=C 34a_100000718082_100000039644 [0,2,0,0,0,0|1,0,1]=4 7361 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [0,2,0,0,0,0|1,0,1]=4 7362 B10R0.71 C#CCCCOCCOC=C 34a_100000033082_100000695029 [0,2,0,0,0,0|1,0,1]=4 7363 B10R0.71 C#CCCCOCCOC=C 34a_100000215630_100000039644 [0,2,0,0,0,0|1,0,1]=4 7364 B10R0.71 C#CCCCOCCOC=C 7a_100000215630_100000039644 [0,2,0,0,0,0|1,0,1]=4 7365 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [0,2,0,0,0,0|1,0,1]=4 7366 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [0,2,0,0,0,0|1,0,1]=4 7367 B10R0.71 C#CCCCSCCOC=C 62a_100000039644_100011215417 [0,2,0,0,0,0|1,0,1]=4 7368 B10R0.71 C#CCCCSCCOC=C 62a_100011215417_100000039644 [0,2,0,0,0,0|1,0,1]=4 7369 B10R0.71 C#CCCNCCCOC=C 2230a_100000210767_100000688953 [0,2,0,0,0,0|1,0,1]=4 7370 B10R0.71 C#CCCNCCCOC=C 34a_100000210767_100000688953 [0,2,0,0,0,0|1,0,1]=4 7371 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,2,0,0,0,0|1,0,1]=4 7372 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,2,0,0,0,0|1,0,1]=4 7373 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,2,0,0,0,0|1,0,1]=4 7374 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [0,2,0,0,0,0|1,0,1]=4 7375 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [0,2,0,0,0,0|1,0,1]=4 7376 B10R0.71 C#CCOCCCCCCBr 34a_100011215345_100000184674 [0,2,0,0,0,0|1,0,1]=4 7377 B10R0.71 C#CCOCCCCCCBr 7a_100011215345_100000038162 [0,2,0,0,0,0|1,0,1]=4 7378 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [0,2,0,0,0,0|1,0,1]=4 7379 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [0,2,0,0,0,0|1,0,1]=4 7380 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [0,2,0,0,0,0|1,0,1]=4 7381 B10R0.71 C#CCOCCCCCCCl 34a_100000766143_100000184674 [0,2,0,0,0,0|1,0,1]=4 7382 B10R0.71 C#CCOCCCCCCCl 7a_100000766143_100000038162 [0,2,0,0,0,0|1,0,1]=4 7383 B10R0.71 C#CCOCCCCCCF 34a_100000210247_100015922095 [0,2,0,0,0,0|1,0,1]=4 7384 B10R0.71 C#CCOCCCCCCF 34a_100000732779_100000184674 [0,2,0,0,0,0|1,0,1]=4 7385 B10R0.71 C#CCOCCCCCCF 7a_100000732779_100000038162 [0,2,0,0,0,0|1,0,1]=4 7386 B10R0.71 C#CCOCCCCCCN 34a_100000686447_100000184674 [0,2,0,0,0,0|1,0,1]=4 7387 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [0,2,0,0,0,0|1,0,1]=4 7388 B10R0.71 C#CCOCCCCCNC 34a_100000722520_100000184674 [0,2,0,0,0,0|1,0,1]=4 7389 B10R0.71 C#CCOCCCCOC=C 34a_100000031558_100000184674 [0,2,0,0,0,0|1,0,1]=4 7390 B10R0.71 C#CCOCCCCOC=C 7a_100000031558_100000038162 [0,2,0,0,0,0|1,0,1]=4 7391 B10R0.71 C#CCOCCNCCCC 2230a_100000102301_100010402529 [0,2,0,0,0,0|1,0,1]=4 7392 B10R0.71 C#CCOCCNCCCC 2230a_100000700922_100000210211 [0,2,0,0,0,0|1,0,1]=4 7393 B10R0.71 C#CCOCCNCCCC 34a_100000700922_100000210210 [0,2,0,0,0,0|1,0,1]=4 7394 B10R0.71 C#CCOCCNCCCC 7a_106832991798_100010402529 [0,2,0,0,0,0|1,0,1]=4 7395 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [0,2,0,0,0,0|1,0,1]=4 7396 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [0,2,0,0,0,0|1,0,1]=4 7397 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [0,2,0,0,0,0|1,0,1]=4 7398 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [0,2,0,0,0,0|1,0,1]=4 7399 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [0,2,0,0,0,0|1,0,1]=4 7400 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [0,2,0,0,0,0|1,0,1]=4 7401 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [0,2,0,0,0,0|1,0,1]=4 7402 B10R0.71 C#CCOCCSCCCC 34a_200000230436_100000184674 [0,2,0,0,0,0|1,0,1]=4 7403 B10R0.71 C#CCOCCSCCCC 62a_100000210211_100010402529 [0,2,0,0,0,0|1,0,1]=4 7404 B10R0.71 C#CCOCCSCCCC 62a_100010402529_100000210210 [0,2,0,0,0,0|1,0,1]=4 7405 B10R0.71 C#CCOCCSCCCC 7a_200000230436_100000038162 [0,2,0,0,0,0|1,0,1]=4 7406 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [0,2,0,0,0,0|1,0,1]=4 7407 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,2,0,0,0,0|2,0,0]=4 7408 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,2,0,0,0,0|2,0,0]=4 7409 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,2,0,0,0,0|2,0,0]=4 7410 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [0,2,0,0,0,0|2,0,0]=4 7411 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [0,2,0,0,0,0|2,0,0]=4 7412 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [0,2,0,0,0,0|2,0,0]=4 7413 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [0,2,0,0,0,0|2,0,0]=4 7414 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [0,2,0,0,0,0|2,0,0]=4 7415 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [0,2,0,0,0,0|2,0,0]=4 7416 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [0,2,0,0,0,0|2,0,0]=4 7417 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [0,2,0,0,0,0|2,0,0]=4 7418 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,2,0,0,0,0|1,0,0]=3 7419 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,2,0,0,0,0|1,0,0]=3 7420 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,2,0,0,0,0|1,0,0]=3 7421 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [0,2,0,0,0,0|2,0,0]=4 7422 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [0,2,0,0,0,0|2,0,0]=4 7423 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [0,2,0,0,0,0|2,0,0]=4 7424 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [0,2,0,0,0,0|2,0,0]=4 7425 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [0,2,0,0,0,0|2,0,0]=4 7426 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [0,2,0,0,0,0|2,0,0]=4 7427 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,2,0,0,0,0|2,0,0]=4 7428 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [0,2,0,0,0,0|2,0,0]=4 7429 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [0,2,0,0,0,0|2,0,0]=4 7430 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [0,2,0,0,0,0|2,0,0]=4 7431 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [0,2,0,0,0,0|2,0,0]=4 7432 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [0,2,0,0,0,0|2,0,0]=4 7433 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [0,2,0,0,0,0|2,0,0]=4 7434 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [0,2,0,0,0,0|2,0,0]=4 7435 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [0,2,0,0,0,0|2,0,0]=4 7436 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [0,2,0,0,0,0|2,0,0]=4 7437 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [0,2,0,0,0,0|2,0,0]=4 7438 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [0,2,0,0,0,0|2,0,0]=4 7439 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [0,2,0,0,0,0|2,0,0]=4 7440 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [0,2,0,0,0,0|2,0,0]=4 7441 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [0,2,0,0,0,0|2,0,0]=4 7442 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [0,2,0,0,0,0|2,0,0]=4 7443 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [0,2,0,0,0,0|1,0,1]=4 7444 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [0,2,0,0,0,0|1,0,1]=4 7445 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,2,0,0,0,0|1,1,0]=4 7446 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,2,0,0,0,0|1,1,0]=4 7447 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [0,2,0,0,0,0|2,0,0]=4 7448 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [0,2,0,0,0,0|2,0,0]=4 7449 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [0,2,0,0,0,0|2,0,0]=4 7450 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [0,2,0,0,0,0|2,0,0]=4 7451 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [0,2,0,0,0,0|2,0,0]=4 7452 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [0,2,0,0,0,0|2,0,0]=4 7453 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [0,2,0,0,0,0|2,0,0]=4 7454 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [0,2,0,0,0,0|2,0,0]=4 7455 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [0,2,0,0,0,0|2,0,0]=4 7456 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [0,2,0,0,0,0|2,0,0]=4 7457 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [0,2,0,0,0,0|2,0,0]=4 7458 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [0,2,0,0,0,0|2,0,0]=4 7459 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,2,0,0,0,0|2,0,0]=4 7460 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,2,0,0,0,0|2,0,0]=4 7461 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,2,0,0,0,0|2,0,0]=4 7462 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,2,0,0,0,0|2,0,0]=4 7463 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,2,0,0,0,0|2,0,0]=4 7464 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,2,0,0,0,0|2,0,0]=4 7465 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,2,0,0,0,0|2,0,0]=4 7466 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,2,0,0,0,0|2,0,0]=4 7467 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,2,0,0,0,0|2,0,0]=4 7468 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,2,0,0,0,0|2,0,0]=4 7469 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,2,0,0,0,0|2,0,0]=4 7470 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,2,0,0,0,0|2,0,0]=4 7471 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,2,0,0,0,0|2,0,0]=4 7472 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,2,0,0,0,0|1,0,1]=4 7473 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,2,0,0,0,0|1,0,1]=4 7474 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,2,0,0,0,0|1,0,1]=4 7475 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [0,2,0,0,0,0|1,0,1]=4 7476 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [0,2,0,0,0,0|1,0,1]=4 7477 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,2,0,0,0,0|2,0,0]=4 7478 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,2,0,0,0,0|2,0,0]=4 7479 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [0,2,0,0,0,0|2,0,0]=4 7480 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [0,2,0,0,0,0|2,0,0]=4 7481 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [0,2,0,0,0,0|2,0,0]=4 7482 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,2,0,0,0,0|2,0,0]=4 7483 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,2,0,0,0,0|2,0,0]=4 7484 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [0,2,0,0,0,0|1,0,1]=4 7485 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [0,2,0,0,0,0|1,0,1]=4 7486 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [0,2,0,0,0,0|1,0,1]=4 7487 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [0,2,0,0,0,0|0,0,1]=3 7488 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [0,2,0,0,0,0|0,0,1]=3 7489 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [0,2,0,0,0,0|2,0,0]=4 7490 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,2,0,0,0,0|2,0,0]=4 7491 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,2,0,0,0,0|2,0,0]=4 7492 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,2,0,0,0,0|2,0,0]=4 7493 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [0,2,0,0,0,0|2,0,0]=4 7494 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [0,2,0,0,0,0|2,0,0]=4 7495 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [0,2,0,0,0,0|2,0,0]=4 7496 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,2,0,0,0,0|2,0,0]=4 7497 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,2,0,0,0,0|2,0,0]=4 7498 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [0,2,0,0,0,0|2,0,0]=4 7499 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [0,2,0,0,0,0|0,1,1]=4 7500 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [0,2,0,0,0,0|0,1,1]=4 7501 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,2,0,0,0,0|2,0,0]=4 7502 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,2,0,0,0,0|2,0,0]=4 7503 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [0,2,0,0,0,0|2,0,0]=4 7504 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [0,2,0,0,0,0|2,0,0]=4 7505 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,2,0,0,0,0|2,0,0]=4 7506 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,2,0,0,0,0|2,0,0]=4 7507 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [0,2,0,0,0,0|2,0,0]=4 7508 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [0,2,0,0,0,0|2,0,0]=4 7509 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [0,2,0,0,0,0|2,0,0]=4 7510 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [0,2,0,0,0,0|2,0,0]=4 7511 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [0,2,0,0,0,0|2,0,0]=4 7512 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [0,2,0,0,0,0|2,0,0]=4 7513 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [0,2,0,0,0,0|2,0,0]=4 7514 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [0,2,0,0,0,0|2,0,0]=4 7515 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [0,2,0,0,0,0|2,0,0]=4 7516 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [0,2,0,0,0,0|2,0,0]=4 7517 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [0,2,0,0,0,0|2,0,0]=4 7518 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [0,2,0,0,0,0|2,0,0]=4 7519 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,2,0,0,0,0|2,0,0]=4 7520 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,2,0,0,0,0|2,0,0]=4 7521 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,2,0,0,0,0|2,0,0]=4 7522 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,2,0,0,0,0|2,0,0]=4 7523 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,2,0,0,0,0|2,0,0]=4 7524 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,2,0,0,0,0|2,0,0]=4 7525 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,2,0,0,0,0|2,0,0]=4 7526 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,2,0,0,0,0|2,0,0]=4 7527 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [0,2,0,0,0,0|2,0,0]=4 7528 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,2,0,0,0,0|2,0,0]=4 7529 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,2,0,0,0,0|2,0,0]=4 7530 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,2,0,0,0,0|2,0,0]=4 7531 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,2,0,0,0,0|2,0,0]=4 7532 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [0,2,0,0,0,0|2,0,0]=4 7533 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [0,2,0,0,0,0|2,0,0]=4 7534 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [0,2,0,0,0,0|2,0,0]=4 7535 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [0,2,0,0,0,0|2,0,0]=4 7536 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [0,2,0,0,0,0|2,0,0]=4 7537 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,2,0,0,0,0|2,0,0]=4 7538 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,2,0,0,0,0|2,0,0]=4 7539 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,2,0,0,0,0|2,0,0]=4 7540 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,2,0,0,0,0|2,0,0]=4 7541 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,2,0,0,0,0|2,0,0]=4 7542 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,2,0,0,0,0|2,0,0]=4 7543 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,2,0,0,0,0|2,0,0]=4 7544 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,2,0,0,0,0|2,0,0]=4 7545 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,2,0,0,0,0|2,0,0]=4 7546 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [0,2,0,0,0,0|2,0,0]=4 7547 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [0,2,0,0,0,0|2,0,0]=4 7548 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [0,2,0,0,0,0|2,0,0]=4 7549 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [0,2,0,0,0,0|2,0,0]=4 7550 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,2,0,0,0,0|2,0,0]=4 7551 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,2,0,0,0,0|2,0,0]=4 7552 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,2,0,0,0,0|2,0,0]=4 7553 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,2,0,0,0,0|2,0,0]=4 7554 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,2,0,0,0,0|2,0,0]=4 7555 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,2,0,0,0,0|2,0,0]=4 7556 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [0,2,0,0,0,0|2,0,0]=4 7557 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [0,2,0,0,0,0|2,0,0]=4 7558 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [0,2,0,0,0,0|1,0,1]=4 7559 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,2,0,0,0,0|2,0,0]=4 7560 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,2,0,0,0,0|2,0,0]=4 7561 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,2,0,0,0,0|2,0,0]=4 7562 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [0,2,0,0,0,0|2,0,0]=4 7563 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [0,2,0,0,0,0|2,0,0]=4 7564 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [0,2,0,0,0,0|2,0,0]=4 7565 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [0,2,0,0,0,0|2,0,0]=4 7566 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [0,2,0,0,0,0|2,0,0]=4 7567 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [0,2,0,0,0,0|2,0,0]=4 7568 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [0,2,0,0,0,0|2,0,0]=4 7569 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [0,2,0,0,0,0|2,0,0]=4 7570 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [0,2,0,0,0,0|2,0,0]=4 7571 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [0,2,0,0,0,0|2,0,0]=4 7572 B10R0.71 C=CCCCNCCOC=C 2230a_100000700776_100000039644 [0,2,0,0,0,0|1,0,1]=4 7573 B10R0.71 C=CCCCNCCOC=C 34a_100000700776_100000039644 [0,2,0,0,0,0|1,0,1]=4 7574 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [0,2,0,0,0,0|2,0,0]=4 7575 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [0,2,0,0,0,0|2,0,0]=4 7576 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [0,2,0,0,0,0|2,0,0]=4 7577 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [0,2,0,0,0,0|2,0,0]=4 7578 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [0,2,0,0,0,0|2,0,0]=4 7579 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [0,2,0,0,0,0|2,0,0]=4 7580 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [0,2,0,0,0,0|2,0,0]=4 7581 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [0,2,0,0,0,0|1,0,1]=4 7582 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [0,2,0,0,0,0|2,0,0]=4 7583 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,2,0,0,0,0|2,0,0]=4 7584 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,2,0,0,0,0|2,0,0]=4 7585 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,2,0,0,0,0|2,0,0]=4 7586 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,2,0,0,0,0|2,0,0]=4 7587 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [0,2,0,0,0,0|2,0,0]=4 7588 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [0,2,0,0,0,0|2,0,0]=4 7589 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [0,2,0,0,0,0|2,0,0]=4 7590 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [0,2,0,0,0,0|2,0,0]=4 7591 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [0,2,0,0,0,0|2,0,0]=4 7592 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [0,2,0,0,0,0|2,0,0]=4 7593 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [0,2,0,0,0,0|2,0,0]=4 7594 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [0,2,0,0,0,0|2,0,0]=4 7595 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [0,2,0,0,0,0|2,0,0]=4 7596 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [0,2,0,0,0,0|2,0,0]=4 7597 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [0,2,0,0,0,0|2,0,0]=4 7598 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [0,2,0,0,0,0|2,0,0]=4 7599 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [0,2,0,0,0,0|2,0,0]=4 7600 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [0,2,0,0,0,0|2,0,0]=4 7601 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [0,2,0,0,0,0|2,0,0]=4 7602 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [0,2,0,0,0,0|2,0,0]=4 7603 B10R0.71 C=CCCCOCCOC=C 34a_100000033082_100000757094 [0,2,0,0,0,0|1,0,1]=4 7604 B10R0.71 C=CCCCOCCOC=C 34a_100000758997_100000039644 [0,2,0,0,0,0|1,0,1]=4 7605 B10R0.71 C=CCCCOCCOC=C 7a_100000758997_100000039644 [0,2,0,0,0,0|1,0,1]=4 7606 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,2,0,0,0,0|2,0,0]=4 7607 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,2,0,0,0,0|2,0,0]=4 7608 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,2,0,0,0,0|2,0,0]=4 7609 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,2,0,0,0,0|2,0,0]=4 7610 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [0,2,0,0,0,0|2,0,0]=4 7611 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [0,2,0,0,0,0|2,0,0]=4 7612 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [0,2,0,0,0,0|2,0,0]=4 7613 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [0,2,0,0,0,0|2,0,0]=4 7614 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [0,2,0,0,0,0|1,0,1]=4 7615 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [0,2,0,0,0,0|1,0,1]=4 7616 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,2,0,0,0,0|2,0,0]=4 7617 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,2,0,0,0,0|2,0,0]=4 7618 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [0,2,0,0,0,0|2,0,0]=4 7619 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [0,2,0,0,0,0|2,0,0]=4 7620 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [0,2,0,0,0,0|2,0,0]=4 7621 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [0,2,0,0,0,0|2,0,0]=4 7622 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [0,2,0,0,0,0|2,0,0]=4 7623 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [0,2,0,0,0,0|2,0,0]=4 7624 B10R0.71 C=CCCCSCCOC=C 62a_100000039644_100000757094 [0,2,0,0,0,0|1,0,1]=4 7625 B10R0.71 C=CCCCSCCOC=C 62a_100011713584_100000039644 [0,2,0,0,0,0|1,0,1]=4 7626 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [0,2,0,0,0,0|2,0,0]=4 7627 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [0,2,0,0,0,0|2,0,0]=4 7628 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [0,2,0,0,0,0|2,0,0]=4 7629 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [0,2,0,0,0,0|2,0,0]=4 7630 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [0,2,0,0,0,0|1,0,1]=4 7631 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,2,0,0,0,0|2,0,0]=4 7632 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,2,0,0,0,0|2,0,0]=4 7633 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [0,2,0,0,0,0|2,0,0]=4 7634 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,2,0,0,0,0|2,0,0]=4 7635 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,2,0,0,0,0|2,0,0]=4 7636 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,2,0,0,0,0|2,0,0]=4 7637 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [0,2,0,0,0,0|2,0,0]=4 7638 B10R0.71 C=CCCNCCCOC=C 2230a_100000210767_100000754431 [0,2,0,0,0,0|1,0,1]=4 7639 B10R0.71 C=CCCNCCCOC=C 34a_100000210767_100000754431 [0,2,0,0,0,0|1,0,1]=4 7640 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [0,2,0,0,0,0|2,0,0]=4 7641 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [0,2,0,0,0,0|2,0,0]=4 7642 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [0,2,0,0,0,0|2,0,0]=4 7643 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,2,0,0,0,0|2,0,0]=4 7644 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,2,0,0,0,0|2,0,0]=4 7645 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,2,0,0,0,0|2,0,0]=4 7646 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [0,2,0,0,0,0|2,0,0]=4 7647 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [0,2,0,0,0,0|2,0,0]=4 7648 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [0,2,0,0,0,0|2,0,0]=4 7649 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [0,2,0,0,0,0|2,0,0]=4 7650 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,2,0,0,0,0|1,0,0]=3 7651 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,2,0,0,0,0|1,0,0]=3 7652 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,2,0,0,0,0|1,0,0]=3 7653 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [0,2,0,0,0,0|2,0,0]=4 7654 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [0,2,0,0,0,0|2,0,0]=4 7655 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [0,2,0,0,0,0|2,0,0]=4 7656 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [0,2,0,0,0,0|2,0,0]=4 7657 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [0,2,0,0,0,0|2,0,0]=4 7658 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [0,2,0,0,0,0|2,0,0]=4 7659 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,2,0,0,0,0|2,0,0]=4 7660 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [0,2,0,0,0,0|2,0,0]=4 7661 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [0,2,0,0,0,0|2,0,0]=4 7662 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [0,2,0,0,0,0|2,0,0]=4 7663 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [0,2,0,0,0,0|2,0,0]=4 7664 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,2,0,0,0,0|2,0,0]=4 7665 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,2,0,0,0,0|2,0,0]=4 7666 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,2,0,0,0,0|2,0,0]=4 7667 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [0,2,0,0,0,0|2,0,0]=4 7668 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [0,2,0,0,0,0|2,0,0]=4 7669 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,2,0,0,0,0|2,0,0]=4 7670 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,2,0,0,0,0|2,0,0]=4 7671 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,2,0,0,0,0|2,0,0]=4 7672 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,2,0,0,0,0|2,0,0]=4 7673 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,2,0,0,0,0|2,0,0]=4 7674 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [0,2,0,0,0,0|2,0,0]=4 7675 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [0,2,0,0,0,0|1,0,1]=4 7676 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [0,2,0,0,0,0|1,0,1]=4 7677 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,2,0,0,0,0|1,1,0]=4 7678 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,2,0,0,0,0|1,1,0]=4 7679 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [0,2,0,0,0,0|2,0,0]=4 7680 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [0,2,0,0,0,0|2,0,0]=4 7681 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,2,0,0,0,0|2,0,0]=4 7682 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,2,0,0,0,0|2,0,0]=4 7683 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [0,2,0,0,0,0|2,0,0]=4 7684 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [0,2,0,0,0,0|2,0,0]=4 7685 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [0,2,0,0,0,0|2,0,0]=4 7686 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [0,2,0,0,0,0|2,0,0]=4 7687 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,2,0,0,0,0|2,0,0]=4 7688 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,2,0,0,0,0|2,0,0]=4 7689 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [0,2,0,0,0,0|2,0,0]=4 7690 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [0,2,0,0,0,0|2,0,0]=4 7691 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [0,2,0,0,0,0|1,0,1]=4 7692 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [0,2,0,0,0,0|2,0,0]=4 7693 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [0,2,0,0,0,0|2,0,0]=4 7694 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [0,2,0,0,0,0|2,0,0]=4 7695 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [0,2,0,0,0,0|2,0,0]=4 7696 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [0,2,0,0,0,0|2,0,0]=4 7697 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [0,2,0,0,0,0|2,0,0]=4 7698 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [0,2,0,0,0,0|2,0,0]=4 7699 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [0,2,0,0,0,0|2,0,0]=4 7700 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [0,2,0,0,0,0|2,0,0]=4 7701 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [0,2,0,0,0,0|2,0,0]=4 7702 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [0,2,0,0,0,0|2,0,0]=4 7703 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [0,2,0,0,0,0|2,0,0]=4 7704 B10R0.71 C=CCOC/C=C/CCCC 34a_200016272032_100015514636 [0,2,0,0,0,0|1,0,1]=4 7705 B10R0.71 C=CCOC/C=C/CCCC 7a_200016272032_100015514636 [0,2,0,0,0,0|1,0,1]=4 7706 B10R0.71 C=CCOCC#CCCCC 34a_200000034558_100015514636 [0,2,0,0,0,0|1,0,1]=4 7707 B10R0.71 C=CCOCC#CCCCC 7a_200000034558_100015514636 [0,2,0,0,0,0|1,0,1]=4 7708 B10R0.71 C=CCOCCC#CCCC 34a_100000042726_100015514636 [0,2,0,0,0,0|1,0,1]=4 7709 B10R0.71 C=CCOCCC#CCCC 7a_100000042726_100015514636 [0,2,0,0,0,0|1,0,1]=4 7710 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [0,2,0,0,0,0|1,0,1]=4 7711 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [0,2,0,0,0,0|1,0,1]=4 7712 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [0,2,0,0,0,0|1,0,0]=3 7713 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [0,2,0,0,0,0|1,0,0]=3 7714 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,2,0,0,0,0|1,0,0]=3 7715 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,2,0,0,0,0|1,0,0]=3 7716 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,2,0,0,0,0|1,0,0]=3 7717 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [0,2,0,0,0,0|1,0,0]=3 7718 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [0,2,0,0,0,0|1,0,0]=3 7719 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [0,2,0,0,0,0|1,0,0]=3 7720 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [0,2,0,0,0,0|1,0,0]=3 7721 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [0,2,0,0,0,0|1,0,0]=3 7722 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [0,2,0,0,0,0|1,0,0]=3 7723 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,2,0,0,0,0|1,0,0]=3 7724 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,2,0,0,0,0|1,0,0]=3 7725 B10R0.71 C=CCOCCCCOC=C 34a_100000031558_100015514636 [0,2,0,0,0,0|1,0,1]=4 7726 B10R0.71 C=CCOCCCCOC=C 7a_100000031558_100015514636 [0,2,0,0,0,0|1,0,1]=4 7727 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,2,0,0,0,0|1,0,0]=3 7728 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,2,0,0,0,0|1,0,0]=3 7729 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,2,0,0,0,0|1,0,0]=3 7730 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,2,0,0,0,0|1,0,0]=3 7731 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,2,0,0,0,0|1,0,0]=3 7732 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [0,2,0,0,0,0|2,0,0]=4 7733 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [0,2,0,0,0,0|2,0,0]=4 7734 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [0,2,0,0,0,0|2,0,0]=4 7735 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [0,2,0,0,0,0|2,0,0]=4 7736 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [0,2,0,0,0,0|2,0,0]=4 7737 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [0,2,0,0,0,0|2,0,0]=4 7738 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [0,2,0,0,0,0|2,0,0]=4 7739 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [0,2,0,0,0,0|2,0,0]=4 7740 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [0,2,0,0,0,0|2,0,0]=4 7741 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [0,2,0,0,0,0|2,0,0]=4 7742 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [0,2,0,0,0,0|2,0,0]=4 7743 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [0,2,0,0,0,0|2,0,0]=4 7744 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [0,2,0,0,0,0|2,0,0]=4 7745 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [0,2,0,0,0,0|2,0,0]=4 7746 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [0,2,0,0,0,0|2,0,0]=4 7747 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [0,2,0,0,0,0|2,0,0]=4 7748 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,2,0,0,0,0|1,0,0]=3 7749 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,2,0,0,0,0|1,0,0]=3 7750 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [0,2,0,0,0,0|1,0,1]=4 7751 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [0,2,0,0,0,0|1,0,1]=4 7752 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [0,2,0,0,0,0|1,1,0]=4 7753 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [0,2,0,0,0,0|1,1,0]=4 7754 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [0,2,0,0,0,0|1,1,0]=4 7755 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [0,2,0,0,0,0|1,1,0]=4 7756 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [0,2,0,0,0,0|1,1,0]=4 7757 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [0,2,0,0,0,0|1,1,0]=4 7758 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [0,2,0,0,0,0|1,1,0]=4 7759 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [0,2,0,0,0,0|1,1,0]=4 7760 B10R0.71 C=COCCCCOCC#N 7a_100000031558_100011215382 [0,2,0,0,0,0|1,0,1]=4 7761 B10R0.71 C=COCCCCOCC=O 34a_100000031558_200009817547 [0,2,0,0,0,0|0,0,2]=4 7762 B10R0.71 C=COCCCCOCC=O 7a_100000031558_200015260668 [0,2,0,0,0,0|0,0,2]=4 7763 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [0,2,0,0,0,0|1,0,0]=3 7764 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [0,2,0,0,0,0|1,0,0]=3 7765 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [0,2,0,0,0,0|1,0,0]=3 7766 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [0,2,0,0,0,0|1,0,0]=3 7767 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [0,2,0,0,0,0|1,0,0]=3 7768 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [0,2,0,0,0,0|1,0,0]=3 7769 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [0,2,0,0,0,0|1,0,0]=3 7770 B10R0.71 C=COCCCNC/C=C/C 34a_100000210767_100102629194 [0,2,0,0,0,0|1,0,1]=4 7771 B10R0.71 C=COCCCNCC#CC 2230a_100000210767_100000748600 [0,2,0,0,0,0|1,0,1]=4 7772 B10R0.71 C=COCCCNCC#CC 34a_100000210767_100000748600 [0,2,0,0,0,0|1,0,1]=4 7773 B10R0.71 C=COCCCNCC=CC 2230a_100000210767_100000070051 [0,2,0,0,0,0|1,0,1]=4 7774 B10R0.71 C=COCCCNCC=CC 34a_100000210767_100000070051 [0,2,0,0,0,0|1,0,1]=4 7775 B10R0.71 C=COCCCNCCC#N 2230a_100000210767_100011215226 [0,2,0,0,0,0|1,0,1]=4 7776 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [0,2,0,0,0,0|1,0,0]=3 7777 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [0,2,0,0,0,0|1,0,0]=3 7778 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [0,2,0,0,0,0|1,0,0]=3 7779 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [0,2,0,0,0,0|1,0,0]=3 7780 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [0,2,0,0,0,0|1,0,0]=3 7781 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [0,2,0,0,0,0|1,0,0]=3 7782 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [0,2,0,0,0,0|1,0,0]=3 7783 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [0,2,0,0,0,0|1,0,0]=3 7784 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [0,2,0,0,0,0|1,0,0]=3 7785 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [0,2,0,0,0,0|1,0,0]=3 7786 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,2,0,0,0,0|1,0,0]=3 7787 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [0,2,0,0,0,0|1,0,0]=3 7788 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [0,2,0,0,0,0|1,0,0]=3 7789 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [0,2,0,0,0,0|1,0,0]=3 7790 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [0,2,0,0,0,0|1,0,0]=3 7791 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [0,2,0,0,0,0|1,0,0]=3 7792 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [0,2,0,0,0,0|1,0,0]=3 7793 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [0,2,0,0,0,0|1,0,0]=3 7794 B10R0.71 C=COCCOC/C=C\CC 34a_100000033082_100103147603 [0,2,0,0,0,0|1,0,1]=4 7795 B10R0.71 C=COCCOC/C=C\CC 34a_100016268518_100000039644 [0,2,0,0,0,0|1,0,1]=4 7796 B10R0.71 C=COCCOCC#CCC 34a_100000032950_100000039644 [0,2,0,0,0,0|1,0,1]=4 7797 B10R0.71 C=COCCOCC#CCC 34a_100000033082_100009813939 [0,2,0,0,0,0|1,0,1]=4 7798 B10R0.71 C=COCCOCC/C=C/C 34a_100016278192_100000039644 [0,2,0,0,0,0|1,0,1]=4 7799 B10R0.71 C=COCCOCCC#CC 34a_100000750427_100000039644 [0,2,0,0,0,0|1,0,1]=4 7800 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [0,2,0,0,0,0|1,0,0]=3 7801 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,2,0,0,0,0|1,0,0]=3 7802 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,2,0,0,0,0|1,0,0]=3 7803 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,2,0,0,0,0|1,0,0]=3 7804 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [0,2,0,0,0,0|1,0,0]=3 7805 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [0,2,0,0,0,0|1,0,0]=3 7806 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [0,2,0,0,0,0|1,0,0]=3 7807 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [0,2,0,0,0,0|1,0,0]=3 7808 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [0,2,0,0,0,0|1,0,0]=3 7809 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [0,2,0,0,0,0|1,0,0]=3 7810 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [0,2,0,0,0,0|1,0,0]=3 7811 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,2,0,0,0,0|1,0,0]=3 7812 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [0,2,0,0,0,0|1,0,0]=3 7813 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [0,2,0,0,0,0|1,0,0]=3 7814 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [0,2,0,0,0,0|1,0,0]=3 7815 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [0,2,0,0,0,0|1,0,0]=3 7816 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [0,2,0,0,0,0|1,0,0]=3 7817 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [0,2,0,0,0,0|1,0,0]=3 7818 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [0,2,0,0,0,0|1,0,0]=3 7819 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [0,2,0,0,0,0|1,0,0]=3 7820 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [0,2,0,0,0,0|1,0,0]=3 7821 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [0,2,0,0,0,0|1,0,0]=3 7822 B10R0.71 C=COCCOCCOCF 34a_100000039918_100015361967 [0,2,0,0,0,0|2,0,0]=4 7823 B10R0.71 C=COCCOCCOCF 7a_100000039918_100015361967 [0,2,0,0,0,0|2,0,0]=4 7824 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [0,2,0,0,0,0|1,0,0]=3 7825 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [0,2,0,0,0,0|1,0,0]=3 7826 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [0,2,0,0,0,0|1,0,0]=3 7827 B10R0.71 C=COCCSC/C=C\CC 62a_100000039644_100103147603 [0,2,0,0,0,0|1,0,1]=4 7828 B10R0.71 C=COCCSC/C=C\CC 62a_100103147603_100000039644 [0,2,0,0,0,0|1,0,1]=4 7829 B10R0.71 C=COCCSCC#CCC 62a_100000039644_100009813939 [0,2,0,0,0,0|1,0,1]=4 7830 B10R0.71 C=COCCSCC#CCC 62a_100009813939_100000039644 [0,2,0,0,0,0|1,0,1]=4 7831 B10R0.71 C=COCCSCCCC#N 62a_100000039644_100000687738 [0,2,0,0,0,0|1,0,1]=4 7832 B10R0.71 C=COCCSCCCC#N 62a_100000687738_100000039644 [0,2,0,0,0,0|1,0,1]=4 7833 B10R0.71 C=COCCSCCCC=O 62a_100000039644_200011292268 [0,2,0,0,0,0|1,0,1]=4 7834 B10R0.71 C=COCCSCCCC=O 62a_200011292268_100000039644 [0,2,0,0,0,0|1,0,1]=4 7835 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,2,0,0,0,0|1,0,0]=3 7836 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,2,0,0,0,0|1,0,0]=3 7837 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [0,2,0,0,0,0|1,0,0]=3 7838 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [0,2,0,0,0,0|1,0,0]=3 7839 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [0,2,0,0,0,0|1,0,0]=3 7840 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [0,2,0,0,0,0|1,0,0]=3 7841 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [0,2,0,0,0,0|1,0,0]=3 7842 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [0,2,0,0,0,0|1,0,0]=3 7843 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [0,2,0,0,0,0|1,0,0]=3 7844 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [0,2,0,0,0,0|1,0,0]=3 7845 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [0,2,0,0,0,0|1,0,0]=3 7846 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [0,2,0,0,0,0|1,0,0]=3 7847 B10R0.71 CC#CCNCCCCC=O 2230a_100000685387_100000139335 [0,2,0,0,0,0|1,0,1]=4 7848 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [0,2,0,0,0,0|1,0,1]=4 7849 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [0,2,0,0,0,0|1,0,1]=4 7850 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [0,2,0,0,0,0|1,0,1]=4 7851 B10R0.71 CC#CCSCCCCC=O 62a_100000139335_100000748600 [0,2,0,0,0,0|1,0,1]=4 7852 B10R0.71 CC#CCSCCCCC=O 62a_100000748600_100000139335 [0,2,0,0,0,0|1,0,1]=4 7853 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [0,2,0,0,0,0|0,0,1]=3 7854 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [0,2,0,0,0,0|0,0,1]=3 7855 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,2,0,0,0,0|2,0,0]=4 7856 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,2,0,0,0,0|2,0,0]=4 7857 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,2,0,0,0,0|2,0,0]=4 7858 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,2,0,0,0,0|2,0,0]=4 7859 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,2,0,0,0,0|2,0,0]=4 7860 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,2,0,0,0,0|2,0,0]=4 7861 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,2,0,0,0,0|2,0,0]=4 7862 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,2,0,0,0,0|1,0,1]=4 7863 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,2,0,0,0,0|1,0,1]=4 7864 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [0,2,0,0,0,0|1,0,1]=4 7865 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [0,2,0,0,0,0|1,0,1]=4 7866 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,2,0,0,0,0|2,0,0]=4 7867 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,2,0,0,0,0|2,0,0]=4 7868 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,2,0,0,0,0|2,0,0]=4 7869 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,2,0,0,0,0|2,0,0]=4 7870 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,2,0,0,0,0|2,0,0]=4 7871 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,2,0,0,0,0|2,0,0]=4 7872 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,2,0,0,0,0|2,0,0]=4 7873 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,2,0,0,0,0|2,0,0]=4 7874 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,2,0,0,0,0|2,0,0]=4 7875 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,2,0,0,0,0|2,0,0]=4 7876 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,2,0,0,0,0|2,0,0]=4 7877 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,2,0,0,0,0|2,0,0]=4 7878 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [0,2,0,0,0,0|1,0,1]=4 7879 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [0,2,0,0,0,0|1,0,1]=4 7880 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,2,0,0,0,0|2,0,0]=4 7881 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,2,0,0,0,0|2,0,0]=4 7882 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [0,2,0,0,0,0|2,0,0]=4 7883 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,2,0,0,0,0|2,0,0]=4 7884 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [0,2,0,0,0,0|2,0,0]=4 7885 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,2,0,0,0,0|2,0,0]=4 7886 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [0,2,0,0,0,0|2,0,0]=4 7887 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [0,2,0,0,0,0|2,0,0]=4 7888 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,2,0,0,0,0|2,0,0]=4 7889 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [0,2,0,0,0,0|2,0,0]=4 7890 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [0,2,0,0,0,0|2,0,0]=4 7891 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [0,2,0,0,0,0|2,0,0]=4 7892 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [0,2,0,0,0,0|2,0,0]=4 7893 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [0,2,0,0,0,0|2,0,0]=4 7894 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [0,2,0,0,0,0|2,0,0]=4 7895 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [0,2,0,0,0,0|2,0,0]=4 7896 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [0,2,0,0,0,0|2,0,0]=4 7897 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [0,2,0,0,0,0|2,0,0]=4 7898 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,2,0,0,0,0|1,0,0]=3 7899 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,2,0,0,0,0|1,0,0]=3 7900 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [0,2,0,0,0,0|2,0,0]=4 7901 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [0,2,0,0,0,0|2,0,0]=4 7902 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [0,2,0,0,0,0|2,0,0]=4 7903 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [0,2,0,0,0,0|2,0,0]=4 7904 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [0,2,0,0,0,0|2,0,0]=4 7905 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [0,2,0,0,0,0|2,0,0]=4 7906 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [0,2,0,0,0,0|2,0,0]=4 7907 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [0,2,0,0,0,0|2,0,0]=4 7908 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [0,2,0,0,0,0|2,0,0]=4 7909 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [0,2,0,0,0,0|2,0,0]=4 7910 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [0,2,0,0,0,0|2,0,0]=4 7911 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [0,2,0,0,0,0|2,0,0]=4 7912 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [0,2,0,0,0,0|2,0,0]=4 7913 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [0,2,0,0,0,0|2,0,0]=4 7914 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [0,2,0,0,0,0|2,0,0]=4 7915 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [0,2,0,0,0,0|2,0,0]=4 7916 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [0,2,0,0,0,0|1,0,1]=4 7917 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [0,2,0,0,0,0|1,0,1]=4 7918 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,2,0,0,0,0|1,1,0]=4 7919 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,2,0,0,0,0|1,1,0]=4 7920 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [0,2,0,0,0,0|2,0,0]=4 7921 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [0,2,0,0,0,0|2,0,0]=4 7922 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [0,2,0,0,0,0|2,0,0]=4 7923 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [0,2,0,0,0,0|2,0,0]=4 7924 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [0,2,0,0,0,0|2,0,0]=4 7925 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [0,2,0,0,0,0|2,0,0]=4 7926 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [0,2,0,0,0,0|2,0,0]=4 7927 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [0,2,0,0,0,0|2,0,0]=4 7928 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [0,2,0,0,0,0|2,0,0]=4 7929 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [0,2,0,0,0,0|2,0,0]=4 7930 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [0,2,0,0,0,0|2,0,0]=4 7931 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [0,2,0,0,0,0|2,0,0]=4 7932 B10R0.71 CCC#CCSCCCC=O 62a_100009813939_200011292268 [0,2,0,0,0,0|1,0,1]=4 7933 B10R0.71 CCC#CCSCCCC=O 62a_200011292268_100009813939 [0,2,0,0,0,0|1,0,1]=4 7934 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [0,2,0,0,0,0|0,0,1]=3 7935 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [0,2,0,0,0,0|0,0,1]=3 7936 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [0,2,0,0,0,0|0,0,1]=3 7937 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [0,2,0,0,0,0|0,0,1]=3 7938 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [0,2,0,0,0,0|1,0,1]=4 7939 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [0,2,0,0,0,0|1,0,1]=4 7940 B10R0.71 CCCC/C=C\CCOCF 34a_200016286491_100015361967 [0,2,0,0,0,0|1,0,1]=4 7941 B10R0.71 CCCC/C=C\CCOCF 7a_200016286491_100015361967 [0,2,0,0,0,0|1,0,1]=4 7942 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [0,2,0,0,0,0|1,0,1]=4 7943 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [0,2,0,0,0,0|1,0,1]=4 7944 B10R0.71 CCCCC#CCCOCF 34a_100000037610_100015361967 [0,2,0,0,0,0|1,0,1]=4 7945 B10R0.71 CCCCC#CCCOCF 7a_100000037610_100015361967 [0,2,0,0,0,0|1,0,1]=4 7946 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [0,2,0,0,0,0|0,0,1]=3 7947 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [0,2,0,0,0,0|0,0,1]=3 7948 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [0,2,0,0,0,0|1,0,1]=4 7949 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [0,2,0,0,0,0|1,0,1]=4 7950 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [0,2,0,0,0,0|1,0,1]=4 7951 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [0,2,0,0,0,0|1,0,1]=4 7952 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [0,2,0,0,0,0|1,0,1]=4 7953 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [0,2,0,0,0,0|1,0,1]=4 7954 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [0,2,0,0,0,0|1,0,1]=4 7955 B10R0.71 CCCCCC#CCOCF 34a_200000033628_100015361967 [0,2,0,0,0,0|1,0,1]=4 7956 B10R0.71 CCCCCC#CCOCF 7a_200000033628_100015361967 [0,2,0,0,0,0|1,0,1]=4 7957 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,2,0,0,0,0|1,0,1]=4 7958 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,2,0,0,0,0|1,0,1]=4 7959 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,2,0,0,0,0|1,0,1]=4 7960 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,2,0,0,0,0|1,0,1]=4 7961 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,2,0,0,0,0|1,0,1]=4 7962 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,2,0,0,0,0|1,0,1]=4 7963 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,2,0,0,0,0|1,0,1]=4 7964 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,2,0,0,0,0|1,0,1]=4 7965 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,2,0,0,0,0|1,0,1]=4 7966 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,2,0,0,0,0|1,0,0]=3 7967 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [0,2,0,0,0,0|1,0,1]=4 7968 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,2,0,0,0,0|0,0,0]=2 7969 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,2,0,0,0,0|0,0,0]=2 7970 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,2,0,0,0,0|1,0,1]=4 7971 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,2,0,0,0,0|1,0,1]=4 7972 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,2,0,0,0,0|1,0,1]=4 7973 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,2,0,0,0,0|1,0,1]=4 7974 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,2,0,0,0,0|1,0,1]=4 7975 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,2,0,0,0,0|1,0,1]=4 7976 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,2,0,0,0,0|1,0,1]=4 7977 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,2,0,0,0,0|0,0,2]=4 7978 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,2,0,0,0,0|0,0,2]=4 7979 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,2,0,0,0,0|0,1,1]=4 7980 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,2,0,0,0,0|0,1,0]=3 7981 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,2,0,0,0,0|0,1,0]=3 7982 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,2,0,0,0,0|1,0,1]=4 7983 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,2,0,0,0,0|1,0,1]=4 7984 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,2,0,0,0,0|1,0,1]=4 7985 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,2,0,0,0,0|1,0,1]=4 7986 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,2,0,0,0,0|1,0,1]=4 7987 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,2,0,0,0,0|1,0,1]=4 7988 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,2,0,0,0,0|1,0,1]=4 7989 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,2,0,0,0,0|1,0,1]=4 7990 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,2,0,0,0,0|1,0,1]=4 7991 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,2,0,0,0,0|1,0,1]=4 7992 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,2,0,0,0,0|1,0,1]=4 7993 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,2,0,0,0,0|0,0,2]=4 7994 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,2,0,0,0,0|0,0,2]=4 7995 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,2,0,0,0,0|0,0,2]=4 7996 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,2,0,0,0,0|0,0,2]=4 7997 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,2,0,0,0,0|0,0,2]=4 7998 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,2,0,0,0,0|0,0,2]=4 7999 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,2,0,0,0,0|0,0,2]=4 8000 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,2,0,0,0,0|0,0,2]=4 8001 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,2,0,0,0,0|0,0,2]=4 8002 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,2,0,0,0,0|0,0,2]=4 8003 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,2,0,0,0,0|0,1,1]=4 8004 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,2,0,0,0,0|0,1,1]=4 8005 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,2,0,0,0,0|0,1,1]=4 8006 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,2,0,0,0,0|0,1,1]=4 8007 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,2,0,0,0,0|1,0,1]=4 8008 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,2,0,0,0,0|1,0,1]=4 8009 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,2,0,0,0,0|1,0,0]=3 8010 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,2,0,0,0,0|1,0,1]=4 8011 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,2,0,0,0,0|1,0,1]=4 8012 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,2,0,0,0,0|1,0,1]=4 8013 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,2,0,0,0,0|1,0,1]=4 8014 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,2,0,0,0,0|1,0,1]=4 8015 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,2,0,0,0,0|1,0,0]=3 8016 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,2,0,0,0,0|1,0,1]=4 8017 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,2,0,0,0,0|1,0,1]=4 8018 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,2,0,0,0,0|1,0,1]=4 8019 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,2,0,0,0,0|1,0,1]=4 8020 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,2,0,0,0,0|1,0,1]=4 8021 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,2,0,0,0,0|1,0,1]=4 8022 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,2,0,0,0,0|1,0,1]=4 8023 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,2,0,0,0,0|1,0,1]=4 8024 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,2,0,0,0,0|1,0,0]=3 8025 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,2,0,0,0,0|1,0,0]=3 8026 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,2,0,0,0,0|1,0,1]=4 8027 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,2,0,0,0,0|1,0,1]=4 8028 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,2,0,0,0,0|1,0,0]=3 8029 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,2,0,0,0,0|1,0,0]=3 8030 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,2,0,0,0,0|1,0,1]=4 8031 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,2,0,0,0,0|1,0,1]=4 8032 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,2,0,0,0,0|1,0,1]=4 8033 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,2,0,0,0,0|1,0,1]=4 8034 B10R0.71 CCCCNCCOCC#N 2230a_100000102301_200000047693 [0,2,0,0,0,0|1,0,1]=4 8035 B10R0.71 CCCCNCCOCC#N 7a_106832991798_200000047693 [0,2,0,0,0,0|1,0,1]=4 8036 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,2,0,0,0,0|1,0,1]=4 8037 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,2,0,0,0,0|1,0,1]=4 8038 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,2,0,0,0,0|1,0,1]=4 8039 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,2,0,0,0,0|1,0,1]=4 8040 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,2,0,0,0,0|0,0,2]=4 8041 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,2,0,0,0,0|0,0,2]=4 8042 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,2,0,0,0,0|0,0,2]=4 8043 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,2,0,0,0,0|0,0,2]=4 8044 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,2,0,0,0,0|1,0,0]=3 8045 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,2,0,0,0,0|1,0,1]=4 8046 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,2,0,0,0,0|1,0,1]=4 8047 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,2,0,0,0,0|1,0,1]=4 8048 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,2,0,0,0,0|1,0,1]=4 8049 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,2,0,0,0,0|1,0,1]=4 8050 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,2,0,0,0,0|1,0,1]=4 8051 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [0,2,0,0,0,0|1,0,1]=4 8052 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [0,2,0,0,0,0|1,0,1]=4 8053 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [0,2,0,0,0,0|1,0,1]=4 8054 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [0,2,0,0,0,0|1,0,1]=4 8055 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,2,0,0,0,0|0,0,0]=2 8056 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,2,0,0,0,0|0,0,0]=2 8057 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,2,0,0,0,0|1,0,1]=4 8058 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,2,0,0,0,0|1,0,1]=4 8059 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,2,0,0,0,0|1,0,1]=4 8060 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,2,0,0,0,0|1,0,1]=4 8061 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,2,0,0,0,0|1,0,1]=4 8062 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,2,0,0,0,0|1,0,1]=4 8063 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,2,0,0,0,0|1,0,1]=4 8064 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,2,0,0,0,0|1,0,1]=4 8065 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,2,0,0,0,0|1,0,1]=4 8066 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,2,0,0,0,0|1,0,1]=4 8067 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,2,0,0,0,0|1,0,1]=4 8068 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,2,0,0,0,0|1,0,1]=4 8069 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,2,0,0,0,0|1,0,1]=4 8070 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,2,0,0,0,0|1,0,1]=4 8071 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,2,0,0,0,0|1,0,1]=4 8072 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,2,0,0,0,0|1,0,1]=4 8073 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,2,0,0,0,0|1,0,1]=4 8074 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,2,0,0,0,0|1,0,1]=4 8075 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,2,0,0,0,0|1,0,1]=4 8076 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,2,0,0,0,0|1,0,1]=4 8077 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,2,0,0,0,0|0,0,2]=4 8078 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,2,0,0,0,0|0,0,2]=4 8079 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,2,0,0,0,0|0,0,2]=4 8080 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,2,0,0,0,0|0,0,2]=4 8081 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [0,2,0,0,0,0|0,1,1]=4 8082 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,2,0,0,0,0|0,1,0]=3 8083 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,2,0,0,0,0|0,1,0]=3 8084 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [0,2,0,0,0,0|1,0,1]=4 8085 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [0,2,0,0,0,0|1,0,1]=4 8086 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,2,0,0,0,0|1,0,0]=3 8087 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,2,0,0,0,0|1,0,0]=3 8088 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,2,0,0,0,0|1,0,1]=4 8089 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,2,0,0,0,0|1,0,1]=4 8090 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,2,0,0,0,0|1,0,0]=3 8091 B10R0.71 CCCCSCCOCC#N 62a_100000210211_200000047693 [0,2,0,0,0,0|1,0,1]=4 8092 B10R0.71 CCCCSCCOCC#N 62a_200000047693_100000210210 [0,2,0,0,0,0|1,0,1]=4 8093 B10R0.71 CCCCSCCOCC#N 7a_200000230436_100011215382 [0,2,0,0,0,0|1,0,1]=4 8094 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,2,0,0,0,0|0,0,0]=2 8095 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,2,0,0,0,0|0,0,0]=2 8096 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,2,0,0,0,0|1,0,1]=4 8097 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,2,0,0,0,0|1,0,1]=4 8098 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,2,0,0,0,0|1,0,1]=4 8099 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,2,0,0,0,0|1,0,1]=4 8100 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,2,0,0,0,0|1,0,1]=4 8101 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,2,0,0,0,0|1,0,1]=4 8102 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,2,0,0,0,0|0,0,2]=4 8103 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,2,0,0,0,0|0,0,2]=4 8104 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,2,0,0,0,0|0,0,2]=4 8105 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,2,0,0,0,0|0,0,2]=4 8106 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [0,2,0,0,0,0|0,1,1]=4 8107 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,2,0,0,0,0|1,0,1]=4 8108 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,2,0,0,0,0|1,0,1]=4 8109 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,2,0,0,0,0|1,0,1]=4 8110 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,2,0,0,0,0|1,0,1]=4 8111 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,2,0,0,0,0|1,0,1]=4 8112 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,2,0,0,0,0|1,0,1]=4 8113 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,2,0,0,0,0|1,0,1]=4 8114 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,2,0,0,0,0|1,0,1]=4 8115 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,2,0,0,0,0|1,0,1]=4 8116 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,2,0,0,0,0|1,0,1]=4 8117 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,2,0,0,0,0|1,0,1]=4 8118 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,2,0,0,0,0|1,0,1]=4 8119 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [0,2,0,0,0,0|1,0,0]=3 8120 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [0,2,0,0,0,0|1,0,0]=3 8121 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [0,2,0,0,0,0|1,0,1]=4 8122 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [0,2,0,0,0,0|1,0,1]=4 8123 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,2,0,0,0,0|1,0,0]=3 8124 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,2,0,0,0,0|1,0,0]=3 8125 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [0,2,0,0,0,0|1,0,1]=4 8126 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [0,2,0,0,0,0|1,0,1]=4 8127 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [0,2,0,0,0,0|1,0,1]=4 8128 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,2,0,0,0,0|1,0,1]=4 8129 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,2,0,0,0,0|1,0,1]=4 8130 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,2,0,0,0,0|1,0,1]=4 8131 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,2,0,0,0,0|1,0,1]=4 8132 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,2,0,0,0,0|1,0,1]=4 8133 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,2,0,0,0,0|1,0,1]=4 8134 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,2,0,0,0,0|1,0,1]=4 8135 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [0,2,0,0,0,0|1,0,1]=4 8136 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [0,2,0,0,0,0|1,0,1]=4 8137 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [0,2,0,0,0,0|1,0,1]=4 8138 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [0,2,0,0,0,0|1,0,1]=4 8139 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,2,0,0,0,0|1,0,1]=4 8140 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,2,0,0,0,0|1,0,1]=4 8141 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,2,0,0,0,0|1,0,1]=4 8142 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,2,0,0,0,0|1,0,1]=4 8143 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,2,0,0,0,0|1,0,1]=4 8144 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [0,2,0,0,0,0|1,0,1]=4 8145 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [0,2,0,0,0,0|1,0,1]=4 8146 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [0,2,0,0,0,0|1,0,1]=4 8147 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,2,0,0,0,0|1,0,1]=4 8148 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,2,0,0,0,0|1,0,1]=4 8149 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,2,0,0,0,0|1,0,1]=4 8150 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,2,0,0,0,0|1,0,1]=4 8151 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,2,0,0,0,0|1,0,1]=4 8152 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,2,0,0,0,0|1,0,1]=4 8153 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,2,0,0,0,0|1,0,1]=4 8154 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,2,0,0,0,0|1,0,1]=4 8155 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,2,0,0,0,0|1,0,1]=4 8156 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,2,0,0,0,0|1,0,1]=4 8157 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,2,0,0,0,0|1,0,1]=4 8158 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,2,0,0,0,0|1,0,1]=4 8159 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,2,0,0,0,0|1,0,1]=4 8160 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [0,2,0,0,0,0|1,0,1]=4 8161 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [0,2,0,0,0,0|1,0,1]=4 8162 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [0,2,0,0,0,0|1,0,1]=4 8163 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [0,2,0,0,0,0|1,0,1]=4 8164 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [0,2,0,0,0,0|1,0,1]=4 8165 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [0,2,0,0,0,0|1,0,1]=4 8166 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,2,0,0,0,0|1,0,1]=4 8167 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,2,0,0,0,0|1,0,1]=4 8168 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,2,0,0,0,0|1,0,1]=4 8169 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,2,0,0,0,0|1,0,1]=4 8170 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [0,2,0,0,0,0|1,0,1]=4 8171 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [0,2,0,0,0,0|1,0,1]=4 8172 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [0,2,0,0,0,0|1,0,1]=4 8173 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [0,2,0,0,0,0|1,0,1]=4 8174 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,2,0,0,0,0|1,0,0]=3 8175 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [0,2,0,0,0,0|1,0,1]=4 8176 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [0,2,0,0,0,0|1,0,1]=4 8177 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,2,0,0,0,0|1,0,1]=4 8178 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,2,0,0,0,0|1,0,1]=4 8179 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,2,0,0,0,0|1,0,1]=4 8180 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,2,0,0,0,0|1,0,1]=4 8181 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,2,0,0,0,0|1,0,1]=4 8182 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,2,0,0,0,0|1,0,1]=4 8183 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,2,0,0,0,0|1,0,1]=4 8184 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [0,2,0,0,0,0|1,0,1]=4 8185 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [0,2,0,0,0,0|1,0,1]=4 8186 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [0,2,0,0,0,0|1,0,1]=4 8187 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [0,2,0,0,0,0|1,0,1]=4 8188 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [0,2,0,0,0,0|1,0,1]=4 8189 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [0,2,0,0,0,0|1,0,1]=4 8190 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,2,0,0,0,0|1,0,0]=3 8191 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [0,2,0,0,0,0|1,0,1]=4 8192 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [0,2,0,0,0,0|1,0,1]=4 8193 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [0,2,0,0,0,0|1,0,1]=4 8194 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [0,2,0,0,0,0|1,0,1]=4 8195 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [0,2,0,0,0,0|1,0,1]=4 8196 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [0,2,0,0,0,0|1,0,1]=4 8197 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [0,2,0,0,0,0|1,0,1]=4 8198 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [0,2,0,0,0,0|1,0,1]=4 8199 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [0,2,0,0,0,0|1,0,1]=4 8200 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,2,0,0,0,0|1,0,1]=4 8201 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,2,0,0,0,0|1,0,1]=4 8202 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [0,2,0,0,0,0|1,0,1]=4 8203 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,2,0,0,0,0|1,0,1]=4 8204 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,2,0,0,0,0|1,0,1]=4 8205 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,2,0,0,0,0|1,0,1]=4 8206 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [0,2,0,0,0,0|1,0,1]=4 8207 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [0,2,0,0,0,0|1,0,1]=4 8208 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [0,2,0,0,0,0|1,0,1]=4 8209 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [0,2,0,0,0,0|1,0,1]=4 8210 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [0,2,0,0,0,0|1,0,1]=4 8211 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [0,2,0,0,0,0|1,0,1]=4 8212 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [0,2,0,0,0,0|1,0,1]=4 8213 B10R0.71 CCOCCOCCOCF 34a_100000210240_100015361967 [0,2,0,0,0,0|1,0,1]=4 8214 B10R0.71 CCOCCOCCOCF 7a_100000210240_100015361967 [0,2,0,0,0,0|1,0,1]=4 8215 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [0,2,0,0,0,0|1,0,1]=4 8216 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [0,2,0,0,0,0|1,0,1]=4 8217 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [0,2,0,0,0,0|1,0,1]=4 8218 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [0,2,0,0,0,0|1,0,1]=4 8219 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [0,2,0,0,0,0|1,0,1]=4 8220 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [0,2,0,0,0,0|1,0,1]=4 8221 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,2,0,0,0,0|1,0,0]=3 8222 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,2,0,0,0,0|1,0,0]=3 8223 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [0,2,0,0,0,0|1,0,1]=4 8224 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [0,2,0,0,0,0|1,0,1]=4 8225 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,2,0,0,0,0|1,0,1]=4 8226 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,2,0,0,0,0|1,0,1]=4 8227 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,2,0,0,0,0|1,0,1]=4 8228 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,2,0,0,0,0|1,0,1]=4 8229 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [0,2,0,0,0,0|1,0,1]=4 8230 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [0,2,0,0,0,0|1,0,1]=4 8231 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [0,2,0,0,0,0|1,0,1]=4 8232 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,2,0,0,0,0|1,0,0]=3 8233 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,2,0,0,0,0|1,0,0]=3 8234 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [0,2,0,0,0,0|1,0,1]=4 8235 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [0,2,0,0,0,0|1,0,1]=4 8236 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,2,0,0,0,0|1,0,1]=4 8237 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,2,0,0,0,0|1,0,1]=4 8238 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [0,2,0,0,0,0|1,0,1]=4 8239 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [0,2,0,0,0,0|1,0,1]=4 8240 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,2,0,0,0,0|1,0,0]=3 8241 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,2,0,0,0,0|1,0,0]=3 8242 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,2,0,0,0,0|1,0,0]=3 8243 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,2,0,0,0,0|1,0,0]=3 8244 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,2,0,0,0,0|0,0,0]=2 8245 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,2,0,0,0,0|1,0,1]=4 8246 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,2,0,0,0,0|0,0,2]=4 8247 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [0,2,0,0,0,0|0,1,1]=4 8248 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [0,2,0,0,0,0|1,0,0]=3 8249 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,2,0,0,0,0|1,0,1]=4 8250 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,2,0,0,0,0|1,0,1]=4 8251 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,2,0,0,0,0|1,0,0]=3 8252 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,2,0,0,0,0|1,0,0]=3 8253 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,2,0,0,0,0|1,0,0]=3 8254 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,2,0,0,0,0|1,0,0]=3 8255 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,2,0,0,0,0|1,0,0]=3 8256 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [0,2,0,0,0,0|2,0,0]=4 8257 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [0,2,0,0,0,0|2,0,0]=4 8258 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [0,2,0,0,0,0|1,0,0]=3 8259 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [0,2,0,0,0,0|1,0,0]=3 8260 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [0,2,0,0,0,0|1,1,0]=4 8261 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [0,2,0,0,0,0|1,1,0]=4 8262 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,2,0,0,0,0|1,0,0]=3 8263 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,2,0,0,0,0|1,0,0]=3 8264 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [0,2,0,0,0,0|1,0,0]=3 8265 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [0,2,0,0,0,0|1,0,0]=3 8266 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,2,0,0,0,0|1,0,0]=3 8267 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,2,0,0,0,0|1,0,0]=3 8268 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,2,0,0,0,0|1,0,0]=3 8269 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,2,0,0,0,0|1,0,0]=3 8270 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,2,0,0,0,0|1,0,0]=3 8271 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,2,0,0,0,0|1,0,0]=3 8272 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [0,2,0,0,0,0|0,1,1]=4 8273 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [0,2,0,0,0,0|0,1,1]=4 8274 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [0,2,0,0,0,0|0,1,1]=4 8275 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [0,2,0,0,0,0|0,1,1]=4 8276 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,2,0,0,0,0|1,0,0]=3 8277 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,2,0,0,0,0|1,0,0]=3 8278 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,2,0,0,0,0|1,0,1]=4 8279 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,2,0,0,0,0|1,0,1]=4 8280 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,2,0,0,0,0|1,0,1]=4 8281 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,2,0,0,0,0|1,0,1]=4 8282 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,2,0,0,0,0|1,0,1]=4 8283 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,2,0,0,0,0|1,0,1]=4 8284 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,2,0,0,0,0|1,0,1]=4 8285 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [0,2,0,0,0,0|1,0,1]=4 8286 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [0,2,0,0,0,0|1,0,1]=4 8287 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [0,2,0,0,0,0|0,1,1]=4 8288 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [0,2,0,0,0,0|0,1,1]=4 8289 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [0,2,0,0,0,0|1,0,1]=4 8290 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [0,2,0,0,0,0|1,0,1]=4 8291 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [0,2,0,0,0,0|1,0,1]=4 8292 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [0,2,0,0,0,0|1,0,1]=4 8293 B10R0.71 N#CCOCCCCCCBr 7a_100011215345_100011215382 [0,2,0,0,0,0|1,0,1]=4 8294 B10R0.71 N#CCOCCCCCCCl 7a_100000766143_100011215382 [0,2,0,0,0,0|1,0,1]=4 8295 B10R0.71 N#CCOCCCCCCF 7a_100000732779_100011215382 [0,2,0,0,0,0|1,0,1]=4 8296 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [0,2,0,0,0,0|1,0,1]=4 8297 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [0,2,0,0,0,0|1,0,1]=4 8298 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [0,2,0,0,0,0|1,0,1]=4 8299 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [0,2,0,0,0,0|0,0,0]=2 8300 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,2,0,0,0,0|1,0,1]=4 8301 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,2,0,0,0,0|0,0,2]=4 8302 B10R0.71 NCCCOCCCOCF 34a_100011310245_100015361967 [0,2,0,0,0,0|1,0,1]=4 8303 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,2,0,0,0,0|1,0,1]=4 8304 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,2,0,0,0,0|1,0,1]=4 8305 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,2,0,0,0,0|1,0,0]=3 8306 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [0,2,0,0,0,0|0,1,1]=4 8307 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [0,2,0,0,0,0|0,1,1]=4 8308 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [0,2,0,0,0,0|1,0,0]=3 8309 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [0,2,0,0,0,0|1,0,0]=3 8310 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,2,0,0,0,0|1,0,0]=3 8311 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,2,0,0,0,0|1,0,0]=3 8312 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,2,0,0,0,0|1,0,0]=3 8313 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,2,0,0,0,0|1,0,0]=3 8314 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,2,0,0,0,0|1,0,0]=3 8315 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,2,0,0,0,0|1,0,0]=3 8316 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,2,0,0,0,0|1,0,0]=3 8317 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,2,0,0,0,0|1,0,0]=3 8318 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,2,0,0,0,0|1,0,0]=3 8319 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,2,0,0,0,0|1,0,0]=3 8320 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [0,2,0,0,0,0|1,0,1]=4 8321 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,2,0,0,0,0|1,0,0]=3 8322 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,2,0,0,0,0|1,0,0]=3 8323 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,2,0,0,0,0|1,0,0]=3 8324 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,2,0,0,0,0|1,0,0]=3 8325 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,2,0,0,0,0|1,0,0]=3 8326 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,2,0,0,0,0|1,0,0]=3 8327 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [0,2,0,0,0,0|0,0,0]=2 8328 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [0,2,0,0,0,0|0,0,0]=2 8329 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [0,2,0,0,0,0|0,0,0]=2 8330 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [0,2,0,0,0,0|0,0,0]=2 8331 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [0,2,0,0,0,0|0,0,0]=2 8332 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [0,2,0,0,0,0|0,0,0]=2 8333 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [0,2,0,0,0,0|0,1,0]=3 8334 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [0,2,0,0,0,0|0,1,0]=3 8335 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,2,0,0,0,0|0,1,0]=3 8336 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,2,0,0,0,0|0,1,0]=3 8337 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,2,0,0,0,0|1,0,1]=4 8338 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,2,0,0,0,0|0,0,2]=4 8339 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,2,0,0,0,0|0,0,2]=4 8340 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,2,0,0,0,0|0,0,2]=4 8341 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,2,0,0,0,0|0,0,2]=4 8342 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,2,0,0,0,0|0,0,2]=4 8343 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,2,0,0,0,0|0,0,2]=4 8344 B10R0.41 C#CC(CC)OCCCC=O 7a_100000758843_200011292268 [0,2,0,0,0,0|2,0,0]=4 8345 B10R0.41 C#CC(CC)OCCOC=C 34a_100000758843_100000039644 [0,2,0,0,0,0|2,0,0]=4 8346 B10R0.41 C#CC(CC)OCCOC=C 7a_100000758843_100000039644 [0,2,0,0,0,0|2,0,0]=4 8347 B10R0.41 C=CC(CC)OCCCC=O 7a_100000766422_200011292268 [0,2,0,0,0,0|2,0,0]=4 8348 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|2,0,0]=4 8349 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|2,0,0]=4 8350 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|2,0,0]=4 8351 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|2,0,0]=4 8352 B10R0.41 C=COCCNC(CC)CC 2230a_100000199018_100000039644 [0,2,0,0,0,0|2,0,0]=4 8353 B10R0.41 C=COCCN[C@@H](CC)CO 2230a_100000709445_100000039644 [0,2,0,0,0,0|2,0,0]=4 8354 B10R0.41 C=COCCOC(C=C)CC 34a_100000766422_100000039644 [0,2,0,0,0,0|2,0,0]=4 8355 B10R0.41 C=COCCOC(C=C)CC 7a_100000766422_100000039644 [0,2,0,0,0,0|2,0,0]=4 8356 B10R0.41 C=COCCOC(CC)CC 7a_100000688536_100000039644 [0,2,0,0,0,0|2,0,0]=4 8357 B10R0.41 C=COCCSC(CC)CC 62a_100000039644_100000210505 [0,2,0,0,0,0|2,0,0]=4 8358 B10R0.41 C=COCCSC(CC)CC 62a_100000210505_100000039644 [0,2,0,0,0,0|2,0,0]=4 8359 B10R0.41 CCC(CC)NCCCC=O 2230a_100000199018_200011292268 [0,2,0,0,0,0|2,0,0]=4 8360 B10R0.41 CCC(CC)OCCCC=O 7a_100000688536_200011292268 [0,2,0,0,0,0|2,0,0]=4 8361 B10R0.41 CCC(CC)SCCCC=O 62a_100000210505_200011292268 [0,2,0,0,0,0|2,0,0]=4 8362 B10R0.41 CCC(CC)SCCCC=O 62a_200011292268_100000210505 [0,2,0,0,0,0|2,0,0]=4 8363 B10R0.41 CCCCCNC(C=O)C=O 2230a_100000209983_100000736813 [0,2,0,0,0,0|2,0,0]=4 8364 B10R0.41 CCCCCOC(C=O)C=O 34a_100000210253_100000736813 [0,2,0,0,0,0|2,0,0]=4 8365 B10R0.41 CCCCCSC(C=O)C=O 62a_100000210326_100000736813 [0,2,0,0,0,0|2,0,0]=4 8366 B10R0.41 CCCCCSC(C=O)C=O 62a_100000736813_100000210326 [0,2,0,0,0,0|2,0,0]=4 8367 B10R0.41 CCN(CC)CCCCC=O 2230a_100000724800_100000139335 [0,2,0,0,0,0|2,0,0]=4 8368 B10R0.41 CCN(CC)CCCCC=O 269956a_100000042499_100000139335 [0,2,0,0,0,0|2,0,0]=4 8369 B10R0.41 CCN(CC)CCCCC=O 269982a_100000724800_100000139335 [0,2,0,0,0,0|2,0,0]=4 8370 B10R0.41 CC[C@@H](CO)NCCCC=O 2230a_100000709445_200011292268 [0,2,0,0,0,0|2,0,0]=4 8371 B10R0.62 C=COCCNC(C)(C)CC 2230a_100000211385_100000039644 [0,2,0,0,0,0|2,0,0]=4 8372 B10R0.62 C=COCCOC(C)(C)CC 7a_100000210230_100000039644 [0,2,0,0,0,0|2,0,0]=4 8373 B10R0.62 C=COCCSC(C)(C)CC 62a_100000032637_100000039644 [0,2,0,0,0,0|2,0,0]=4 8374 B10R0.62 C=COCCSC(C)(C)CC 62a_100000039644_100000032637 [0,2,0,0,0,0|2,0,0]=4 8375 B10R0.62 CCC(C)(C)NCCCC=O 2230a_100000211385_200011292268 [0,2,0,0,0,0|2,0,0]=4 8376 B10R0.62 CCC(C)(C)OCCCC=O 7a_100000210230_200011292268 [0,2,0,0,0,0|2,0,0]=4 8377 B10R0.62 CCC(C)(C)SCCCC=O 62a_100000032637_200011292268 [0,2,0,0,0,0|2,0,0]=4 8378 B10R0.62 CCC(C)(C)SCCCC=O 62a_200011292268_100000032637 [0,2,0,0,0,0|2,0,0]=4 8379 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,0,0,1,0,0|1,0,1]=4 8380 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,0,0,1,0,0|1,0,1]=4 8381 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,0,0,1,0,0|1,0,1]=4 8382 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,1,0,0|2,0,0]=4 8383 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,1,0,0|2,0,0]=4 8384 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 8385 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|1,0,1]=4 8386 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 8387 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|1,0,1]=4 8388 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|1,0,1]=4 8389 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,1,0,0|1,0,1]=4 8390 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,1,0,0|1,0,1]=4 8391 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,1,0,0|1,0,1]=4 8392 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,1,0,0|1,0,1]=4 8393 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,1,0,0|1,0,1]=4 8394 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|2,0,0]=4 8395 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|0,0,1]=3 8396 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|0,0,1]=3 8397 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|0,0,1]=3 8398 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|1,0,1]=4 8399 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|1,0,1]=4 8400 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|1,0,1]=4 8401 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|1,0,1]=4 8402 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,1,0,0|1,0,1]=4 8403 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,1,0,0|1,0,1]=4 8404 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,1,0,0|1,0,1]=4 8405 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,1,0,0|1,0,1]=4 8406 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|2,0,0]=4 8407 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|2,0,0]=4 8408 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|0,1,1]=4 8409 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|0,1,1]=4 8410 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|1,0,1]=4 8411 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 8412 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 8413 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,1,0,0|1,0,1]=4 8414 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,1,0,0|1,0,1]=4 8415 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|2,0,0]=4 8416 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|0,0,1]=3 8417 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|0,0,1]=3 8418 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|1,0,1]=4 8419 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|1,0,1]=4 8420 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|1,0,1]=4 8421 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,1,0,0|1,0,1]=4 8422 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,1,0,0|1,0,1]=4 8423 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,1,0,0|1,0,1]=4 8424 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|2,0,0]=4 8425 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|2,0,0]=4 8426 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|0,1,1]=4 8427 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|0,1,1]=4 8428 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|1,0,1]=4 8429 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 8430 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 8431 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 8432 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 8433 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 8434 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 8435 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [1,0,0,1,0,0|2,0,0]=4 8436 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [1,0,0,1,0,0|2,0,0]=4 8437 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [1,0,0,1,0,0|1,0,1]=4 8438 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [1,0,0,1,0,0|1,0,1]=4 8439 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [1,0,0,1,0,0|1,0,1]=4 8440 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [1,0,0,1,0,0|1,0,1]=4 8441 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [1,0,0,1,0,0|1,0,1]=4 8442 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 8443 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,1]=4 8444 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 8445 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|1,0,1]=4 8446 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|1,0,1]=4 8447 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [1,0,0,1,0,0|1,0,1]=4 8448 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 8449 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 8450 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|1,0,1]=4 8451 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 8452 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|1,0,1]=4 8453 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 8454 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|1,0,1]=4 8455 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|1,0,1]=4 8456 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|1,0,1]=4 8457 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|1,0,1]=4 8458 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|1,0,1]=4 8459 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|0,0,1]=3 8460 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|0,0,1]=3 8461 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|0,0,1]=3 8462 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 8463 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 8464 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 8465 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|1,0,1]=4 8466 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|1,0,1]=4 8467 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [1,0,0,1,0,0|1,0,1]=4 8468 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [1,0,0,1,0,0|1,0,1]=4 8469 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 8470 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|0,1,1]=4 8471 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|0,1,1]=4 8472 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|1,0,1]=4 8473 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|1,0,1]=4 8474 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [1,0,0,1,0,0|1,0,1]=4 8475 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [1,0,0,1,0,0|1,0,1]=4 8476 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [1,0,0,1,0,0|1,0,0]=3 8477 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [1,0,0,1,0,0|1,0,0]=3 8478 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [1,0,0,1,0,0|2,0,0]=4 8479 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [1,0,0,1,0,0|2,0,0]=4 8480 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 8481 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 8482 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|1,0,1]=4 8483 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|1,0,1]=4 8484 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|0,0,1]=3 8485 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|0,0,1]=3 8486 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 8487 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 8488 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 8489 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|1,0,1]=4 8490 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 8491 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|0,1,1]=4 8492 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|0,1,1]=4 8493 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|1,0,1]=4 8494 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|1,0,1]=4 8495 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [1,0,0,1,0,0|1,0,1]=4 8496 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [1,0,0,1,0,0|1,0,1]=4 8497 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 8498 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 8499 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [1,0,0,1,0,0|2,0,0]=4 8500 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [1,0,0,1,0,0|2,0,0]=4 8501 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [1,0,0,1,0,0|2,0,0]=4 8502 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [1,0,0,1,0,0|2,0,0]=4 8503 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [1,0,0,1,0,0|2,0,0]=4 8504 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [1,0,0,1,0,0|2,0,0]=4 8505 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [1,0,0,1,0,0|2,0,0]=4 8506 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [1,0,0,1,0,0|2,0,0]=4 8507 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [1,0,0,1,0,0|2,0,0]=4 8508 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [1,0,0,1,0,0|2,0,0]=4 8509 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [1,0,0,1,0,0|1,0,1]=4 8510 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [1,0,0,1,0,0|1,0,1]=4 8511 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [1,0,0,1,0,0|1,0,1]=4 8512 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [1,0,0,1,0,0|1,0,1]=4 8513 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [1,0,0,1,0,0|1,0,1]=4 8514 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [1,0,0,1,0,0|1,0,1]=4 8515 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|1,0,1]=4 8516 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|1,0,1]=4 8517 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|1,0,1]=4 8518 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|1,0,1]=4 8519 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [1,0,0,1,0,0|1,0,1]=4 8520 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [1,0,0,1,0,0|1,0,1]=4 8521 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [1,0,0,1,0,0|1,0,1]=4 8522 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [1,0,0,1,0,0|1,0,1]=4 8523 B8R1.10 COCNC1CCC1 2230a_100000749019_100000766300 [1,0,0,1,0,0|1,0,1]=4 8524 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [1,0,0,1,0,0|1,0,1]=4 8525 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [1,0,0,1,0,0|1,0,1]=4 8526 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [1,0,0,1,0,0|1,0,0]=3 8527 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [1,0,0,1,0,0|1,0,0]=3 8528 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [1,0,0,1,0,0|2,0,0]=4 8529 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [1,0,0,1,0,0|1,0,0]=3 8530 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [1,0,0,1,0,0|2,0,0]=4 8531 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [1,0,0,1,0,0|1,0,0]=3 8532 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [1,0,0,1,0,0|2,0,0]=4 8533 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [1,0,0,1,0,0|1,0,1]=4 8534 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|0,0,1]=3 8535 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|0,0,1]=3 8536 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 8537 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 8538 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 8539 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 8540 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 8541 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 8542 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|1,0,0]=3 8543 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|1,0,0]=3 8544 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|1,0,0]=3 8545 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|1,0,1]=4 8546 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 8547 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 8548 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 8549 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|1,0,0]=3 8550 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 8551 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|1,0,0]=3 8552 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|1,0,0]=3 8553 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|0,0,1]=3 8554 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|0,0,1]=3 8555 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|1,0,0]=3 8556 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [1,0,0,1,0,0|1,0,1]=4 8557 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,0,0,1,0,0|1,0,1]=4 8558 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,0,0,1,0,0|2,0,0]=4 8559 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [1,0,0,1,0,0|1,0,1]=4 8560 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|1,0,0]=3 8561 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|1,0,0]=3 8562 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|1,0,0]=3 8563 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|1,0,0]=3 8564 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [1,0,0,1,0,0|1,0,1]=4 8565 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 8566 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 8567 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|1,0,0]=3 8568 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [1,0,0,1,0,0|1,0,1]=4 8569 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,0,0,1,0,0|1,0,1]=4 8570 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,0,0,1,0,0|2,0,0]=4 8571 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|1,0,0]=3 8572 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|1,0,0]=3 8573 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|1,0,0]=3 8574 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|1,0,0]=3 8575 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [1,0,0,1,0,0|2,0,0]=4 8576 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [1,0,0,1,0,0|2,0,0]=4 8577 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [1,0,0,1,0,0|1,0,0]=3 8578 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [1,0,0,1,0,0|1,0,0]=3 8579 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|1,0,0]=3 8580 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,1,0,0|1,0,0]=3 8581 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,1,0,0|1,0,0]=3 8582 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [1,0,0,1,0,0|1,0,1]=4 8583 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [1,0,0,1,0,0|1,0,1]=4 8584 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [1,0,0,1,0,0|1,0,1]=4 8585 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [1,0,0,1,0,0|1,0,1]=4 8586 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [1,0,0,1,0,0|1,0,1]=4 8587 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [1,0,0,1,0,0|1,0,1]=4 8588 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [1,0,0,1,0,0|1,0,1]=4 8589 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [1,0,0,1,0,0|2,0,0]=4 8590 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [1,0,0,1,0,0|2,0,0]=4 8591 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 8592 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 8593 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 8594 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 8595 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 8596 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 8597 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [1,0,0,1,0,0|2,0,0]=4 8598 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [1,0,0,1,0,0|2,0,0]=4 8599 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [1,0,0,1,0,0|2,0,0]=4 8600 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [1,0,0,1,0,0|2,0,0]=4 8601 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [1,0,0,1,0,0|2,0,0]=4 8602 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [1,0,0,1,0,0|2,0,0]=4 8603 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [1,0,0,1,0,0|2,0,0]=4 8604 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [1,0,0,1,0,0|2,0,0]=4 8605 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [1,0,0,1,0,0|2,0,0]=4 8606 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [1,0,0,1,0,0|2,0,0]=4 8607 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|1,0,1]=4 8608 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|1,0,1]=4 8609 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|1,0,1]=4 8610 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|1,0,1]=4 8611 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|1,0,1]=4 8612 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|1,0,1]=4 8613 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|1,0,1]=4 8614 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 8615 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,1]=4 8616 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 8617 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|1,0,1]=4 8618 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|1,0,1]=4 8619 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|1,0,1]=4 8620 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|1,0,1]=4 8621 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 8622 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|1,0,1]=4 8623 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 8624 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|1,0,1]=4 8625 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [1,0,0,1,0,0|1,0,1]=4 8626 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [1,0,0,1,0,0|1,0,1]=4 8627 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [1,0,0,1,0,0|1,0,1]=4 8628 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [1,0,0,1,0,0|1,0,1]=4 8629 B8R1.36 COCNCC1CC1 2230a_100000735609_100000766300 [1,0,0,1,0,0|1,0,1]=4 8630 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [1,0,0,1,0,0|1,0,1]=4 8631 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [1,0,0,1,0,0|1,0,1]=4 8632 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|1,0,1]=4 8633 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|1,0,1]=4 8634 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [1,0,0,1,0,0|1,0,1]=4 8635 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [1,0,0,1,0,0|1,0,1]=4 8636 B8R1.36 NOCCOC1CC1 34a_100000700252_100000211595 [1,0,0,1,0,0|2,0,0]=4 8637 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [1,0,0,1,0,0|1,0,0]=3 8638 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [1,0,0,1,0,0|1,0,0]=3 8639 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [1,0,0,1,0,0|1,0,0]=3 8640 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [1,0,0,1,0,0|2,0,0]=4 8641 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [1,0,0,1,0,0|1,0,0]=3 8642 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [1,0,0,1,0,0|1,0,0]=3 8643 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [1,0,0,1,0,0|2,0,0]=4 8644 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [1,0,0,1,0,0|2,0,0]=4 8645 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [1,0,0,1,0,0|2,0,0]=4 8646 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [1,0,0,1,0,0|2,0,0]=4 8647 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [1,0,0,1,0,0|2,0,0]=4 8648 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [1,0,0,1,0,0|2,0,0]=4 8649 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [1,0,0,1,0,0|1,0,1]=4 8650 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|1,0,1]=4 8651 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|1,0,1]=4 8652 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,1,0,1,0,0|1,0,1]=4 8653 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|2,0,0]=4 8654 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|1,0,0]=3 8655 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 8656 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 8657 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|2,0,0]=4 8658 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,1,0,1,0,0|1,0,1]=4 8659 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|2,0,0]=4 8660 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,1,0,1,0,0|2,0,0]=4 8661 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|2,0,0]=4 8662 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,1,0,1,0,0|2,0,0]=4 8663 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,1,0,0|2,0,0]=4 8664 B10R1.10 C[C@H]1CCCN(C1)CC=O 2230a_100000717927_200015260668 [0,1,0,1,0,0|2,0,0]=4 8665 B10R1.10 C[C@H]1CCCN(C1)CC=O 269982a_100000717927_200015260668 [0,1,0,1,0,0|2,0,0]=4 8666 B10R1.10 C[C@H]1CCCN(C1)CC=O 34a_100000717927_200009817547 [0,1,0,1,0,0|2,0,0]=4 8667 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,1,0,1,0,0|2,0,0]=4 8668 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,1,0,1,0,0|2,0,0]=4 8669 B10R1.10 O=CCN1CCCC(C1)F 2230a_100000697950_200015260668 [0,1,0,1,0,0|2,0,0]=4 8670 B10R1.10 O=CCN1CCCC(C1)F 269982a_100000697950_200015260668 [0,1,0,1,0,0|2,0,0]=4 8671 B10R1.10 O=CCN1CCCC(C1)F 34a_100000697950_200009817547 [0,1,0,1,0,0|2,0,0]=4 8672 B10R1.10 O=CCN1CCCC(C1)O 2230a_100000211013_200015260668 [0,1,0,1,0,0|2,0,0]=4 8673 B10R1.10 O=CCN1CCCC(C1)O 269982a_100000211013_200015260668 [0,1,0,1,0,0|2,0,0]=4 8674 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,1,0,1,0,0|2,0,0]=4 8675 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|2,0,0]=4 8676 B10R1.16 CC1CCC(C1)OCC=O 34a_100000698185_200009817547 [0,1,0,1,0,0|2,0,0]=4 8677 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,1,0,0|2,0,0]=4 8678 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,1,0,0|2,0,0]=4 8679 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|2,0,0]=4 8680 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,1,0,0|2,0,0]=4 8681 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,1,0,0|1,0,0]=3 8682 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,1,0,0|1,0,0]=3 8683 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,1,0,0|2,0,0]=4 8684 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,1,0,0|2,0,0]=4 8685 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,1,0,1,0,0|2,0,0]=4 8686 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,1,0,1,0,0|2,0,0]=4 8687 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,1,0,1,0,0|2,0,0]=4 8688 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,1,0,1,0,0|2,0,0]=4 8689 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,1,0,0|1,0,0]=3 8690 B10R1.16 CCOCC1=CC(=O)OC1 34a_100121572206_100000716558 [0,1,0,1,0,0|1,0,1]=4 8691 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,1,0,1,0,0|2,0,0]=4 8692 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,1,0,0|2,0,0]=4 8693 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,1,0,0|2,0,0]=4 8694 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,1,0,0|2,0,0]=4 8695 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,1,0,0|1,0,0]=3 8696 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,1,0,0|1,0,0]=3 8697 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,1,0,1,0,0|1,0,1]=4 8698 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,1,0,1,0,0|1,0,1]=4 8699 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,1,0,0|2,0,0]=4 8700 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,1,0,0|2,0,0]=4 8701 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,1,0,0|1,0,0]=3 8702 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,1,0,0|1,0,0]=3 8703 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,1,0,0|2,0,0]=4 8704 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,1,0,0|2,0,0]=4 8705 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,1,0,0|1,0,0]=3 8706 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,1,0,0|1,0,0]=3 8707 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,1,0,1,0,0|2,0,0]=4 8708 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,1,0,1,0,0|2,0,0]=4 8709 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,1,0,1,0,0|2,0,0]=4 8710 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,1,0,1,0,0|2,0,0]=4 8711 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [0,1,0,1,0,0|2,0,0]=4 8712 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015307671_100015361967 [0,1,0,1,0,0|2,0,0]=4 8713 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015361967_100015307671 [0,1,0,1,0,0|2,0,0]=4 8714 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,1,0,1,0,0|2,0,0]=4 8715 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,1,0,1,0,0|2,0,0]=4 8716 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [0,1,0,1,0,0|2,0,0]=4 8717 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,1,0,1,0,0|2,0,0]=4 8718 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [0,1,0,1,0,0|2,0,0]=4 8719 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [0,1,0,1,0,0|2,0,0]=4 8720 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,1,0,1,0,0|2,0,0]=4 8721 B10R1.16 O=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_200015260668 [0,1,0,1,0,0|2,0,0]=4 8722 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,1,0,1,0,0|2,0,0]=4 8723 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,1,0,1,0,0|1,0,1]=4 8724 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,1,0,0|1,0,0]=3 8725 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,1,0,0|1,0,0]=3 8726 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|2,0,0]=4 8727 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|2,0,0]=4 8728 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|2,0,0]=4 8729 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|2,0,0]=4 8730 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,1,0,0|2,0,0]=4 8731 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,1,0,0|2,0,0]=4 8732 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,1,0,1,0,0|2,0,0]=4 8733 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,1,0,1,0,0|1,0,0]=3 8734 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,1,0,1,0,0|1,0,0]=3 8735 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,1,0,1,0,0|1,0,0]=3 8736 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,1,0,1,0,0|1,0,0]=3 8737 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 8738 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 8739 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 8740 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,1,0,1,0,0|2,0,0]=4 8741 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,1,0,1,0,0|2,0,0]=4 8742 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,1,0,1,0,0|2,0,0]=4 8743 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,1,0,1,0,0|2,0,0]=4 8744 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,1,0,1,0,0|2,0,0]=4 8745 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,1,0,1,0,0|2,0,0]=4 8746 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,1,0,1,0,0|2,0,0]=4 8747 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,1,0,1,0,0|2,0,0]=4 8748 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,1,0,1,0,0|2,0,0]=4 8749 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [0,1,0,1,0,0|1,0,1]=4 8750 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [0,1,0,1,0,0|1,0,1]=4 8751 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [0,1,0,1,0,0|1,0,1]=4 8752 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,1,0,1,0,0|1,0,1]=4 8753 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,1,0,0|1,0,0]=3 8754 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|2,0,0]=4 8755 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|2,0,0]=4 8756 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,1,0,0|2,0,0]=4 8757 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,1,0,1,0,0|2,0,0]=4 8758 B10R1.24 C=COCCN1CC(C1)C 2230a_100000702820_100000039644 [0,1,0,1,0,0|2,0,0]=4 8759 B10R1.24 C=COCCN1CC(C1)C 269982a_100000702820_100000039644 [0,1,0,1,0,0|2,0,0]=4 8760 B10R1.24 C=COCCN1CC(C1)C 34a_100000702820_100000039644 [0,1,0,1,0,0|2,0,0]=4 8761 B10R1.24 C=COCCN1CC(C1)F 2230a_100000690557_100000039644 [0,1,0,1,0,0|2,0,0]=4 8762 B10R1.24 C=COCCN1CC(C1)F 269982a_100000690557_100000039644 [0,1,0,1,0,0|2,0,0]=4 8763 B10R1.24 C=COCCN1CC(C1)F 34a_100000690557_100000039644 [0,1,0,1,0,0|2,0,0]=4 8764 B10R1.24 C=COCCN1CC(C1)O 269982a_100000749847_100000039644 [0,1,0,1,0,0|2,0,0]=4 8765 B10R1.24 CC1CN(C1)CCCC=O 2230a_100000702820_200011292268 [0,1,0,1,0,0|2,0,0]=4 8766 B10R1.24 CC1CN(C1)CCCC=O 269982a_100000702820_200011292268 [0,1,0,1,0,0|2,0,0]=4 8767 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,1,0,1,0,0|2,0,0]=4 8768 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,1,0,1,0,0|2,0,0]=4 8769 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,1,0,1,0,0|2,0,0]=4 8770 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,1,0,1,0,0|2,0,0]=4 8771 B10R1.24 O=CCCCN1CC(C1)F 2230a_100000690557_200011292268 [0,1,0,1,0,0|2,0,0]=4 8772 B10R1.24 O=CCCCN1CC(C1)F 269982a_100000690557_200011292268 [0,1,0,1,0,0|2,0,0]=4 8773 B10R1.24 O=CCCCN1CC(C1)O 269982a_100000749847_200011292268 [0,1,0,1,0,0|2,0,0]=4 8774 B10R1.24 O=CCNCC1CC(C1)O 2230a_100016992100_200015260668 [0,1,0,1,0,0|2,0,0]=4 8775 B10R1.24 O=CCOCC1CC(C1)Cl 34a_100009874164_200009817547 [0,1,0,1,0,0|2,0,0]=4 8776 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,1,0,1,0,0|2,0,0]=4 8777 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,1,0,1,0,0|2,0,0]=4 8778 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,1,0,1,0,0|1,0,0]=3 8779 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,1,0,1,0,0|1,0,0]=3 8780 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,1,0,1,0,0|1,0,0]=3 8781 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,1,0,1,0,0|1,0,0]=3 8782 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,1,0,1,0,0|2,0,0]=4 8783 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,1,0,1,0,0|2,0,0]=4 8784 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,1,0,1,0,0|2,0,0]=4 8785 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,1,0,1,0,0|2,0,0]=4 8786 B10R1.56 C/C=C/COCC1CC1C 34a_100000744939_100102629194 [0,1,0,1,0,0|2,0,0]=4 8787 B10R1.56 C/C=C/COCC1CC1C 7a_100000744939_100102629194 [0,1,0,1,0,0|2,0,0]=4 8788 B10R1.56 C=CCCOCC1CC1C 34a_100000744939_100000754431 [0,1,0,1,0,0|2,0,0]=4 8789 B10R1.56 C=CCCOCC1CC1C 7a_100000744939_100000754431 [0,1,0,1,0,0|2,0,0]=4 8790 B10R1.56 C=COCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000039644 [0,1,0,1,0,0|2,0,0]=4 8791 B10R1.56 C=COCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000039644 [0,1,0,1,0,0|2,0,0]=4 8792 B10R1.56 C=COCCN[C@@H]1C[C@H]1F 34a_100025746932_100000039644 [0,1,0,1,0,0|2,0,0]=4 8793 B10R1.56 CC=CCOCC1CC1C 34a_100000744939_100000070051 [0,1,0,1,0,0|2,0,0]=4 8794 B10R1.56 CC=CCOCC1CC1C 7a_100000744939_100000070051 [0,1,0,1,0,0|2,0,0]=4 8795 B10R1.56 O=CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200011292268 [0,1,0,1,0,0|2,0,0]=4 8796 B10R1.56 O=CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200011292268 [0,1,0,1,0,0|2,0,0]=4 8797 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|1,0,1]=4 8798 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|1,0,0]=3 8799 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,1,0,0|2,0,0]=4 8800 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|1,0,1]=4 8801 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|1,0,1]=4 8802 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,1,0,0|1,0,0]=3 8803 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,1,0,0|1,0,0]=3 8804 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,1,0,0|1,0,0]=3 8805 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,1,0,0|1,0,0]=3 8806 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,1,0,1,0,0|2,0,0]=4 8807 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,1,0,1,0,0|2,0,0]=4 8808 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,1,0,1,0,0|2,0,0]=4 8809 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,1,0,0|2,0,0]=4 8810 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|1,0,0]=3 8811 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,1,0,1,0,0|2,0,0]=4 8812 B10R1.61 CN(C)C1CCCNC1=O 2230a_100102631434_100000687798 [0,1,0,1,0,0|2,0,0]=4 8813 B10R1.61 CN(C)C1CCCNC1=O 269982a_100102631434_100000687798 [0,1,0,1,0,0|2,0,0]=4 8814 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,1,0,1,0,0|2,0,0]=4 8815 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,1,0,1,0,0|2,0,0]=4 8816 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,1,0,1,0,0|2,0,0]=4 8817 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,1,0,0|2,0,0]=4 8818 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,1,0,0|2,0,0]=4 8819 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,1,0,0|2,0,0]=4 8820 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|1,0,1]=4 8821 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,1,0,1,0,0|2,0,0]=4 8822 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,1,0,1,0,0|2,0,0]=4 8823 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,1,0,1,0,0|2,0,0]=4 8824 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,1,0,0|2,0,0]=4 8825 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,1,0,1,0,0|1,0,1]=4 8826 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,1,0,0|2,0,0]=4 8827 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,1,0,0|2,0,0]=4 8828 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [0,1,0,1,0,0|2,0,0]=4 8829 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [0,1,0,1,0,0|2,0,0]=4 8830 B10R1.64 CC(C)NC1CCNC1=O 2230a_100016995588_100000210206 [0,1,0,1,0,0|2,0,0]=4 8831 B10R1.64 CC(C)NC1CCNC1=O 34a_100016995588_100000210206 [0,1,0,1,0,0|2,0,0]=4 8832 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,1,0,1,0,0|1,0,0]=3 8833 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,1,0,1,0,0|1,0,0]=3 8834 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [0,1,0,1,0,0|2,0,0]=4 8835 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [0,1,0,1,0,0|2,0,0]=4 8836 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [0,1,0,1,0,0|1,0,1]=4 8837 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [0,1,0,1,0,0|1,0,1]=4 8838 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,1,0,1,0,0|1,0,0]=3 8839 B10R1.64 CC(C)O[C@H]1CCNC1=O 34a_100000688343_100000210206 [0,1,0,1,0,0|2,0,0]=4 8840 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [0,1,0,1,0,0|2,0,0]=4 8841 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [0,1,0,1,0,0|2,0,0]=4 8842 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,1,0,1,0,0|1,0,0]=3 8843 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,1,0,1,0,0|1,0,0]=3 8844 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [0,1,0,1,0,0|2,0,0]=4 8845 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [0,1,0,1,0,0|2,0,0]=4 8846 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [0,1,0,1,0,0|2,0,0]=4 8847 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [0,1,0,1,0,0|2,0,0]=4 8848 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [0,1,0,1,0,0|2,0,0]=4 8849 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [0,1,0,1,0,0|2,0,0]=4 8850 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [0,1,0,1,0,0|2,0,0]=4 8851 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [0,1,0,1,0,0|2,0,0]=4 8852 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,1,0,1,0,0|1,0,1]=4 8853 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,1,0,1,0,0|1,0,0]=3 8854 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,1,0,1,0,0|1,0,0]=3 8855 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|2,0,0]=4 8856 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,1,0,1,0,0|2,0,0]=4 8857 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,1,0,1,0,0|2,0,0]=4 8858 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,1,0,1,0,0|2,0,0]=4 8859 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,1,0,1,0,0|2,0,0]=4 8860 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,1,0,1,0,0|2,0,0]=4 8861 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,1,0,1,0,0|1,0,0]=3 8862 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,1,0,1,0,0|1,0,0]=3 8863 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,1,0,1,0,0|1,0,0]=3 8864 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,1,0,1,0,0|1,0,0]=3 8865 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,1,0,1,0,0|2,0,0]=4 8866 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,1,0,1,0,0|2,0,0]=4 8867 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,1,0,1,0,0|2,0,0]=4 8868 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,1,0,1,0,0|2,0,0]=4 8869 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 8870 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 8871 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 8872 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,1,0,1,0,0|2,0,0]=4 8873 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,1,0,1,0,0|2,0,0]=4 8874 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,1,0,1,0,0|1,0,0]=3 8875 B10R1.66 CC(=O)OCN1CCSC1 269982a_100011215254_100000076356 [0,1,0,1,0,0|2,0,0]=4 8876 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [0,1,0,1,0,0|1,0,1]=4 8877 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [0,1,0,1,0,0|1,0,1]=4 8878 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [0,1,0,1,0,0|1,0,1]=4 8879 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [0,1,0,1,0,0|2,0,0]=4 8880 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [0,1,0,1,0,0|2,0,0]=4 8881 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,1,0,1,0,0|2,0,0]=4 8882 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,1,0,1,0,0|2,0,0]=4 8883 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,1,0,1,0,0|2,0,0]=4 8884 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,1,0,1,0,0|2,0,0]=4 8885 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,1,0,1,0,0|2,0,0]=4 8886 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,1,0,1,0,0|2,0,0]=4 8887 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,1,0,1,0,0|2,0,0]=4 8888 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,1,0,1,0,0|2,0,0]=4 8889 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,1,0,1,0,0|2,0,0]=4 8890 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,1,0,1,0,0|2,0,0]=4 8891 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,1,0,1,0,0|2,0,0]=4 8892 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,1,0,1,0,0|2,0,0]=4 8893 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,1,0,1,0,0|1,0,0]=3 8894 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|2,0,0]=4 8895 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,1,0,1,0,0|2,0,0]=4 8896 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,1,0,1,0,0|2,0,0]=4 8897 B10R1.73 CC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100009813279 [0,1,0,1,0,0|2,0,0]=4 8898 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,1,0,1,0,0|2,0,0]=4 8899 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,1,0,1,0,0|2,0,0]=4 8900 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,1,0,1,0,0|2,0,0]=4 8901 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|2,0,0]=4 8902 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 8903 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 8904 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 8905 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [0,1,0,1,0,0|2,0,0]=4 8906 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,1,0,0|1,0,1]=4 8907 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,1,0,0|2,0,0]=4 8908 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,1,0,1,0,0|1,0,0]=3 8909 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,1,0,1,0,0|1,0,0]=3 8910 B10R1.117 CC(Br)COC1CCC1=O 34a_100012180447_100009892977 [0,1,0,1,0,0|2,0,0]=4 8911 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,1,0,1,0,0|2,0,0]=4 8912 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,1,0,1,0,0|2,0,0]=4 8913 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,1,0,1,0,0|2,0,0]=4 8914 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,1,0,1,0,0|2,0,0]=4 8915 B10R1.117 CC(F)COC1CCC1=O 34a_100015925927_100009892977 [0,1,0,1,0,0|2,0,0]=4 8916 B10R1.117 CC(O)CNC1CCC1=O 34a_100000210904_100009892977 [0,1,0,1,0,0|2,0,0]=4 8917 B10R1.117 CC(O)CSC1CCC1=O 62a_100009892977_100011218427 [0,1,0,1,0,0|2,0,0]=4 8918 B10R1.117 CC(O)CSC1CCC1=O 62a_100011218427_100009892977 [0,1,0,1,0,0|2,0,0]=4 8919 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [0,1,0,1,0,0|2,0,0]=4 8920 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [0,1,0,1,0,0|2,0,0]=4 8921 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 8922 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 8923 B10R1.117 C[C@@H](Cl)COC1CCC1=O 34a_100016084084_100009892977 [0,1,0,1,0,0|2,0,0]=4 8924 B10R1.117 C[C@@H](N)COC1CCC1=O 34a_100000737577_100009892977 [0,1,0,1,0,0|2,0,0]=4 8925 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009817552_100009892977 [0,1,0,1,0,0|2,0,0]=4 8926 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009892977_100009817552 [0,1,0,1,0,0|2,0,0]=4 8927 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,1,0,1,0,0|2,0,0]=4 8928 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,1,0,1,0,0|2,0,0]=4 8929 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,1,0,1,0,0|2,0,0]=4 8930 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,1,0,1,0,0|2,0,0]=4 8931 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,1,0,1,0,0|2,0,0]=4 8932 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,1,0,1,0,0|2,0,0]=4 8933 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,1,0,1,0,0|2,0,0]=4 8934 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,1,0,1,0,0|2,0,0]=4 8935 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,1,0,1,0,0|2,0,0]=4 8936 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,1,0,1,0,0|2,0,0]=4 8937 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,1,0,1,0,0|1,0,0]=3 8938 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,1,0,1,0,0|1,0,0]=3 8939 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,1,0,1,0,0|1,0,0]=3 8940 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,1,0,1,0,0|1,0,0]=3 8941 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [0,1,0,1,0,0|2,0,0]=4 8942 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,1,0,1,0,0|1,0,0]=3 8943 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,1,0,1,0,0|1,0,0]=3 8944 B10R1.126 CC(=O)OCSCC1CO1 62a_100000076356_102125554688 [0,1,0,1,0,0|2,0,0]=4 8945 B10R1.126 CC(=O)OCSCC1CO1 62a_102125554688_100000076356 [0,1,0,1,0,0|2,0,0]=4 8946 B10R1.126 CC(=O)OCSCC1CS1 62a_100000031435_100000076356 [0,1,0,1,0,0|2,0,0]=4 8947 B10R1.126 CC(=O)OCSCC1CS1 62a_100000076356_100000031435 [0,1,0,1,0,0|2,0,0]=4 8948 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000076356_100000745022 [0,1,0,1,0,0|2,0,0]=4 8949 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000076356 [0,1,0,1,0,0|2,0,0]=4 8950 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [0,1,0,1,0,0|2,0,0]=4 8951 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [0,1,0,1,0,0|2,0,0]=4 8952 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [0,1,0,1,0,0|2,0,0]=4 8953 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [0,1,0,1,0,0|2,0,0]=4 8954 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [0,1,0,1,0,0|2,0,0]=4 8955 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [0,1,0,1,0,0|2,0,0]=4 8956 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [0,1,0,1,0,0|2,0,0]=4 8957 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [0,1,0,1,0,0|2,0,0]=4 8958 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [0,1,0,1,0,0|2,0,0]=4 8959 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [0,1,0,1,0,0|2,0,0]=4 8960 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [0,1,0,1,0,0|2,0,0]=4 8961 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,1,0,1,0,0|2,0,0]=4 8962 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,1,0,1,0,0|2,0,0]=4 8963 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,1,0,1,0,0|2,0,0]=4 8964 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,1,0,1,0,0|2,0,0]=4 8965 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,1,0,1,0,0|2,0,0]=4 8966 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,1,0,1,0,0|2,0,0]=4 8967 B10R1.126 NC(=O)NCCNC1CC1 34a_100020590234_100000211595 [0,1,0,1,0,0|2,0,0]=4 8968 B10R1.126 NC(=O)NCCOC1CC1 34a_100000181757_100000211595 [0,1,0,1,0,0|2,0,0]=4 8969 B10R1.126 NC(=O)NCCSC1CC1 62a_200000034859_100000211595 [0,1,0,1,0,0|2,0,0]=4 8970 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,1,0,1,0,0|1,0,0]=3 8971 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,1,0,1,0,0|1,0,0]=3 8972 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,1,0,1,0,0|2,0,0]=4 8973 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,1,0,1,0,0|2,0,0]=4 8974 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,1,0,1,0,0|2,0,0]=4 8975 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,1,0,1,0,0|2,0,0]=4 8976 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,1,0,1,0,0|2,0,0]=4 8977 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,1,0,1,0,0|2,0,0]=4 8978 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|2,0,0]=4 8979 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,1,0,1,0,0|2,0,0]=4 8980 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|2,0,0]=4 8981 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,1,0,1,0,0|2,0,0]=4 8982 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,1,0,1,0,0|2,0,0]=4 8983 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [0,1,0,1,0,0|2,0,0]=4 8984 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,1,0,1,0,0|1,0,0]=3 8985 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,1,0,1,0,0|1,0,0]=3 8986 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,1,0,1,0,0|1,0,0]=3 8987 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,1,0,1,0,0|1,0,0]=3 8988 B10R1.127 CC(=O)OCSC1COC1 62a_100000076356_100009818527 [0,1,0,1,0,0|2,0,0]=4 8989 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [0,1,0,1,0,0|2,0,0]=4 8990 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [0,1,0,1,0,0|2,0,0]=4 8991 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [0,1,0,1,0,0|2,0,0]=4 8992 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [0,1,0,1,0,0|2,0,0]=4 8993 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [0,1,0,1,0,0|2,0,0]=4 8994 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [0,1,0,1,0,0|2,0,0]=4 8995 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,1,0,1,0,0|2,0,0]=4 8996 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,1,0,1,0,0|2,0,0]=4 8997 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,1,0,1,0,0|2,0,0]=4 8998 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,1,0,1,0,0|2,0,0]=4 8999 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,1,0,1,0,0|2,0,0]=4 9000 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,1,0,1,0,0|2,0,0]=4 9001 B10R1.127 NC(=O)NCCN1CCC1 269982a_100000754969_200000034859 [0,1,0,1,0,0|2,0,0]=4 9002 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,1,0,1,0,0|1,0,0]=3 9003 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,1,0,1,0,0|2,0,0]=4 9004 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,1,0,1,0,0|2,0,0]=4 9005 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,1,0,1,0,0|2,0,0]=4 9006 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,1,0,1,0,0|2,0,0]=4 9007 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,1,0,1,0,0|2,0,0]=4 9008 B10R1.133 CC1(CCCC1OCF)C 34a_100000726220_100015361967 [0,1,0,1,0,0|1,0,1]=4 9009 B10R1.133 CC1(CCCC1OCF)C 7a_100000726220_100015361967 [0,1,0,1,0,0|1,0,1]=4 9010 B10R1.133 CC1(CCCN1CC=O)C 2230a_100000761399_200015260668 [0,1,0,1,0,0|2,0,0]=4 9011 B10R1.133 CC1(CCCN1CC=O)C 269982a_100000761399_200015260668 [0,1,0,1,0,0|2,0,0]=4 9012 B10R1.133 CC1(CCCN1CC=O)C 34a_100000761399_200009817547 [0,1,0,1,0,0|2,0,0]=4 9013 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [0,1,0,1,0,0|1,0,1]=4 9014 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [0,1,0,1,0,0|1,0,1]=4 9015 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,1,0,1,0,0|2,0,0]=4 9016 B10R1.177 C/C=C/CCOCC1CC1 34a_100016278192_100000742324 [0,1,0,1,0,0|2,0,0]=4 9017 B10R1.177 C/C=C/CNCCC1CC1 34a_100000764129_100102629194 [0,1,0,1,0,0|2,0,0]=4 9018 B10R1.177 C/C=C/COCCC1CC1 34a_100000754188_100102629194 [0,1,0,1,0,0|2,0,0]=4 9019 B10R1.177 C/C=C/COCCC1CC1 34a_100016270725_100000694398 [0,1,0,1,0,0|2,0,0]=4 9020 B10R1.177 C/C=C/COCCC1CC1 7a_100000754188_100102629194 [0,1,0,1,0,0|2,0,0]=4 9021 B10R1.177 C/C=C/CSCCC1CC1 62a_100000764125_100102629194 [0,1,0,1,0,0|2,0,0]=4 9022 B10R1.177 C/C=C/CSCCC1CC1 62a_100102629194_100000764125 [0,1,0,1,0,0|2,0,0]=4 9023 B10R1.177 C=CCCCCNC1CC1 34a_100000212008_100011215482 [0,1,0,1,0,0|2,0,0]=4 9024 B10R1.177 C=CCCCCNC1CC1 34a_100000703577_100000211595 [0,1,0,1,0,0|2,0,0]=4 9025 B10R1.177 C=CCCCCOC1CC1 34a_100000766645_100000211595 [0,1,0,1,0,0|2,0,0]=4 9026 B10R1.177 C=CCCCCSC1CC1 62a_100011215482_100000211595 [0,1,0,1,0,0|2,0,0]=4 9027 B10R1.177 C=CCCCNCC1CC1 2230a_100000700776_100000742324 [0,1,0,1,0,0|2,0,0]=4 9028 B10R1.177 C=CCCCNCC1CC1 2230a_100000735609_100011713584 [0,1,0,1,0,0|2,0,0]=4 9029 B10R1.177 C=CCCCNCC1CC1 269862a_100000700776_100000741477 [0,1,0,1,0,0|2,0,0]=4 9030 B10R1.177 C=CCCCNCC1CC1 34a_100000700776_100000742324 [0,1,0,1,0,0|2,0,0]=4 9031 B10R1.177 C=CCCCNCC1CC1 34a_100000735609_100000757094 [0,1,0,1,0,0|2,0,0]=4 9032 B10R1.177 C=CCCCOCC1CC1 34a_100000211283_100000757094 [0,1,0,1,0,0|2,0,0]=4 9033 B10R1.177 C=CCCCOCC1CC1 34a_100000758997_100000742324 [0,1,0,1,0,0|2,0,0]=4 9034 B10R1.177 C=CCCCOCC1CC1 7a_100000758997_100000742324 [0,1,0,1,0,0|2,0,0]=4 9035 B10R1.177 C=CCCCSCC1CC1 62a_100000756562_100000757094 [0,1,0,1,0,0|2,0,0]=4 9036 B10R1.177 C=CCCCSCC1CC1 62a_100011713584_100000742324 [0,1,0,1,0,0|2,0,0]=4 9037 B10R1.177 C=CCCNCCC1CC1 2230a_100015191253_100000694398 [0,1,0,1,0,0|2,0,0]=4 9038 B10R1.177 C=CCCNCCC1CC1 34a_100000764129_100000754431 [0,1,0,1,0,0|2,0,0]=4 9039 B10R1.177 C=CCCOCCC1CC1 34a_100000754188_100000754431 [0,1,0,1,0,0|2,0,0]=4 9040 B10R1.177 C=CCCOCCC1CC1 34a_100011205117_100000694398 [0,1,0,1,0,0|2,0,0]=4 9041 B10R1.177 C=CCCOCCC1CC1 7a_100000754188_100000754431 [0,1,0,1,0,0|2,0,0]=4 9042 B10R1.177 C=CCCSCCC1CC1 62a_100000754431_100000764125 [0,1,0,1,0,0|2,0,0]=4 9043 B10R1.177 C=CCCSCCC1CC1 62a_100000764125_100000754431 [0,1,0,1,0,0|2,0,0]=4 9044 B10R1.177 C=CCOCCCC1CO1 34a_200000210373_100000733510 [0,1,0,1,0,0|2,0,0]=4 9045 B10R1.177 C=CCOCCNC1CC1 34a_100000738766_100015514636 [0,1,0,1,0,0|2,0,0]=4 9046 B10R1.177 C=CCOCCOC1CC1 34a_100000037705_100000211595 [0,1,0,1,0,0|2,0,0]=4 9047 B10R1.177 C=COCCCNC1CC1 34a_100000210767_100000211595 [0,1,0,1,0,0|1,0,0]=3 9048 B10R1.177 C=COCCNCC1CC1 2230a_100000735609_100000039644 [0,1,0,1,0,0|1,0,0]=3 9049 B10R1.177 C=COCCNCC1CC1 34a_100000735609_100000039644 [0,1,0,1,0,0|1,0,0]=3 9050 B10R1.177 C=COCCOCC1CC1 34a_100000033082_100000742324 [0,1,0,1,0,0|1,0,0]=3 9051 B10R1.177 C=COCCOCC1CC1 34a_100000211283_100000039644 [0,1,0,1,0,0|1,0,0]=3 9052 B10R1.177 C=COCCOCC1CO1 34a_100000033082_102125554688 [0,1,0,1,0,0|2,0,0]=4 9053 B10R1.177 C=COCCOC[C@@H]1CO1 34a_100000757423_100000039644 [0,1,0,1,0,0|2,0,0]=4 9054 B10R1.177 C=COCCSCC1CC1 62a_100000039644_100000742324 [0,1,0,1,0,0|1,0,0]=3 9055 B10R1.177 C=COCCSCC1CC1 62a_100000756562_100000039644 [0,1,0,1,0,0|1,0,0]=3 9056 B10R1.177 C=COCCSCC1CO1 62a_100000039644_102125554688 [0,1,0,1,0,0|2,0,0]=4 9057 B10R1.177 C=COCCSCC1CO1 62a_102125554688_100000039644 [0,1,0,1,0,0|2,0,0]=4 9058 B10R1.177 C=COCCSCC1CS1 62a_100000031435_100000039644 [0,1,0,1,0,0|2,0,0]=4 9059 B10R1.177 C=COCCSCC1CS1 62a_100000039644_100000031435 [0,1,0,1,0,0|2,0,0]=4 9060 B10R1.177 C=COCCSC[C@@H]1CO1 62a_100000039644_100000745022 [0,1,0,1,0,0|2,0,0]=4 9061 B10R1.177 C=COCCSC[C@@H]1CO1 62a_100000745022_100000039644 [0,1,0,1,0,0|2,0,0]=4 9062 B10R1.177 CC=CCCCOC1CC1 34a_100020645299_100000211595 [0,1,0,1,0,0|2,0,0]=4 9063 B10R1.177 CC=CCNCCC1CC1 34a_100000764129_100000070051 [0,1,0,1,0,0|2,0,0]=4 9064 B10R1.177 CC=CCOCCC1CC1 34a_100000754188_100000070051 [0,1,0,1,0,0|2,0,0]=4 9065 B10R1.177 CC=CCOCCC1CC1 7a_100000754188_100000070051 [0,1,0,1,0,0|2,0,0]=4 9066 B10R1.177 CC=CCSCCC1CC1 62a_100000070051_100000764125 [0,1,0,1,0,0|2,0,0]=4 9067 B10R1.177 CC=CCSCCC1CC1 62a_100000764125_100000070051 [0,1,0,1,0,0|2,0,0]=4 9068 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,1,0,1,0,0|1,0,1]=4 9069 B10R1.177 CCOCCCNC1CC1 34a_100000210961_100000211595 [0,1,0,1,0,0|1,0,1]=4 9070 B10R1.177 CCOCCCNC1CC1 34a_100000212008_100012232248 [0,1,0,1,0,0|1,0,1]=4 9071 B10R1.177 CCOCCCOC1CC1 34a_100000757476_100000211595 [0,1,0,1,0,0|1,0,1]=4 9072 B10R1.177 CCOCCCSC1CC1 62a_100012232248_100000211595 [0,1,0,1,0,0|1,0,1]=4 9073 B10R1.177 CCOCCNCC1CC1 2230a_100000735609_100011215890 [0,1,0,1,0,0|1,0,1]=4 9074 B10R1.177 CCOCCNCC1CC1 2230a_102516460346_100000742324 [0,1,0,1,0,0|1,0,1]=4 9075 B10R1.177 CCOCCNCC1CC1 269862a_100011200944_100000741477 [0,1,0,1,0,0|1,0,1]=4 9076 B10R1.177 CCOCCNCC1CC1 34a_100000735609_100000210147 [0,1,0,1,0,0|1,0,1]=4 9077 B10R1.177 CCOCCNCC1CC1 34a_102516460346_100000742324 [0,1,0,1,0,0|1,0,1]=4 9078 B10R1.177 CCOCCOCC1CC1 34a_100000210136_100000742324 [0,1,0,1,0,0|1,0,1]=4 9079 B10R1.177 CCOCCOCC1CC1 34a_100000211283_100000210147 [0,1,0,1,0,0|1,0,1]=4 9080 B10R1.177 CCOCCOCC1CC1 7a_100000210136_100000742324 [0,1,0,1,0,0|1,0,1]=4 9081 B10R1.177 CCOCCSCC1CC1 62a_100000210147_100000742324 [0,1,0,1,0,0|1,0,1]=4 9082 B10R1.177 CCOCCSCC1CC1 62a_100000756562_100011215890 [0,1,0,1,0,0|1,0,1]=4 9083 B10R1.177 CCOCSCCC1CC1 62a_100000739092_100000764125 [0,1,0,1,0,0|1,0,1]=4 9084 B10R1.177 CCOCSCCC1CC1 62a_100000764125_100000739092 [0,1,0,1,0,0|1,0,1]=4 9085 B10R1.177 O=CCCCCSC1CC1 62a_100000139335_100000211595 [0,1,0,1,0,0|1,0,0]=3 9086 B10R1.177 O=CCCCNCC1CC1 2230a_100000735609_200011292268 [0,1,0,1,0,0|1,0,0]=3 9087 B10R1.177 O=CCCCSCC1CC1 62a_100000756562_200011292268 [0,1,0,1,0,0|1,0,0]=3 9088 B10R1.177 O=CCCCSCC1CC1 62a_200011292268_100000742324 [0,1,0,1,0,0|1,0,0]=3 9089 B10R1.177 O=CCCCSCC1CO1 62a_102125554688_200011292268 [0,1,0,1,0,0|2,0,0]=4 9090 B10R1.177 O=CCCCSCC1CO1 62a_200011292268_102125554688 [0,1,0,1,0,0|2,0,0]=4 9091 B10R1.177 O=CCCCSCC1CS1 62a_100000031435_200011292268 [0,1,0,1,0,0|2,0,0]=4 9092 B10R1.177 O=CCCCSCC1CS1 62a_200011292268_100000031435 [0,1,0,1,0,0|2,0,0]=4 9093 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_100000745022_200011292268 [0,1,0,1,0,0|2,0,0]=4 9094 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_200011292268_100000745022 [0,1,0,1,0,0|2,0,0]=4 9095 B10R1.177 O=CCOCC#CC1CC1 34a_100000083941_200009817547 [0,1,0,1,0,0|0,0,2]=4 9096 B10R1.177 O=CCOCC#CC1CC1 7a_100000083941_200015260668 [0,1,0,1,0,0|0,0,2]=4 9097 B10R1.177 O=CCOCCNC1CC1 34a_100000738766_200009817547 [0,1,0,1,0,0|1,0,0]=3 9098 B10R1.177 O=CCSCCCC1CO1 62a_100000733510_200015260668 [0,1,0,1,0,0|1,1,0]=4 9099 B10R1.177 O=CCSCCCC1CO1 62a_200015260668_100000733510 [0,1,0,1,0,0|1,1,0]=4 9100 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|1,0,0]=3 9101 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|1,0,0]=3 9102 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|1,0,0]=3 9103 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|1,0,0]=3 9104 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|1,0,0]=3 9105 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|1,0,0]=3 9106 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 9107 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 9108 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 9109 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,1,0,1,0,0|2,0,0]=4 9110 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|1,0,0]=3 9111 B10R1.375 CC1(CC1COCC=O)C 34a_100000728257_200009817547 [0,1,0,1,0,0|2,0,0]=4 9112 B10R1.375 CC1(CC1COCC=O)C 7a_100000728257_200015260668 [0,1,0,1,0,0|2,0,0]=4 9113 B10R1.11 CC(OCF)C1CCCC1 34a_100011216366_100015361967 [0,1,0,1,0,0|1,0,1]=4 9114 B10R1.11 CC(OCF)C1CCCC1 7a_100011216366_100015361967 [0,1,0,1,0,0|1,0,1]=4 9115 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [0,1,0,1,0,0|1,0,1]=4 9116 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [0,1,0,1,0,0|1,0,1]=4 9117 B10R1.11 CN(CC=O)C1CCCC1 2230a_100000207505_200015260668 [0,1,0,1,0,0|2,0,0]=4 9118 B10R1.11 CN(CC=O)C1CCCC1 269982a_100000207505_200015260668 [0,1,0,1,0,0|2,0,0]=4 9119 B10R1.11 CN(CC=O)C1CCCC1 34a_100000207505_200009817547 [0,1,0,1,0,0|2,0,0]=4 9120 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|1,0,0]=3 9121 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 9122 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 9123 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 9124 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 9125 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|1,0,0]=3 9126 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|1,0,0]=3 9127 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|1,0,0]=3 9128 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|1,0,0]=3 9129 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 9130 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 9131 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|1,0,0]=3 9132 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|1,0,0]=3 9133 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|1,0,0]=3 9134 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|1,0,0]=3 9135 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [0,1,0,1,0,0|1,0,1]=4 9136 B10R1.21 C#CCOCC1CCCC1 34a_100000210247_100000740388 [0,1,0,1,0,0|1,0,1]=4 9137 B10R1.21 C#CCOCC1CCCC1 34a_100000742336_100000184674 [0,1,0,1,0,0|1,0,1]=4 9138 B10R1.21 C#CCOCC1CCCC1 7a_100000742336_100000038162 [0,1,0,1,0,0|1,0,1]=4 9139 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [0,1,0,1,0,0|2,0,0]=4 9140 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [0,1,0,1,0,0|2,0,0]=4 9141 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [0,1,0,1,0,0|2,0,0]=4 9142 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [0,1,0,1,0,0|2,0,0]=4 9143 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [0,1,0,1,0,0|2,0,0]=4 9144 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [0,1,0,1,0,0|2,0,0]=4 9145 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [0,1,0,1,0,0|2,0,0]=4 9146 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [0,1,0,1,0,0|2,0,0]=4 9147 B10R1.21 C=CCCNC1CCCC1 2230a_100000211070_100000754431 [0,1,0,1,0,0|2,0,0]=4 9148 B10R1.21 C=CCCNC1CCCC1 2230a_100015191253_100000179811 [0,1,0,1,0,0|2,0,0]=4 9149 B10R1.21 C=CCCNC1CCCC1 270004a_100015191253_100000210133 [0,1,0,1,0,0|2,0,0]=4 9150 B10R1.21 C=CCCNC1CCCC1 34a_100000211070_100000754431 [0,1,0,1,0,0|2,0,0]=4 9151 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [0,1,0,1,0,0|2,0,0]=4 9152 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [0,1,0,1,0,0|2,0,0]=4 9153 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [0,1,0,1,0,0|2,0,0]=4 9154 B10R1.21 C=CCCSC1CCCC1 62a_100000754431_100000179811 [0,1,0,1,0,0|2,0,0]=4 9155 B10R1.21 C=CCCSC1CCCC1 62a_100011217020_100000754431 [0,1,0,1,0,0|2,0,0]=4 9156 B10R1.21 C=CCNCC1CCCC1 2230a_100000737975_100000210623 [0,1,0,1,0,0|2,0,0]=4 9157 B10R1.21 C=CCNCC1CCCC1 2230a_100020586998_100000740388 [0,1,0,1,0,0|2,0,0]=4 9158 B10R1.21 C=CCNCC1CCCC1 34a_100000737975_100015514636 [0,1,0,1,0,0|2,0,0]=4 9159 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [0,1,0,1,0,0|1,0,0]=3 9160 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [0,1,0,1,0,0|1,0,0]=3 9161 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [0,1,0,1,0,0|1,0,0]=3 9162 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [0,1,0,1,0,0|2,0,0]=4 9163 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [0,1,0,1,0,0|2,0,0]=4 9164 B10R1.21 C=CCOCC1CCNC1 34a_100000748654_100015514636 [0,1,0,1,0,0|2,0,0]=4 9165 B10R1.21 C=CCOCC1CCOC1 34a_100000740260_100015514636 [0,1,0,1,0,0|2,0,0]=4 9166 B10R1.21 C=CCOCC1CCOC1 34a_200000210373_100011261433 [0,1,0,1,0,0|2,0,0]=4 9167 B10R1.21 C=CCOC[C@H]1CCCN1 34a_100000745186_100015514636 [0,1,0,1,0,0|2,0,0]=4 9168 B10R1.21 C=CCSCC1CCCC1 62a_100000210623_100000740388 [0,1,0,1,0,0|1,1,0]=4 9169 B10R1.21 C=CCSCC1CCCC1 62a_100000740388_100000210623 [0,1,0,1,0,0|1,1,0]=4 9170 B10R1.21 C=COCCN1CCCC1 2230a_100000188435_100000039644 [0,1,0,1,0,0|1,0,0]=3 9171 B10R1.21 C=COCCN1CCCC1 269982a_100000188435_100000039644 [0,1,0,1,0,0|1,0,0]=3 9172 B10R1.21 C=COCCN1CCSC1 2230a_100011215254_100000039644 [0,1,0,1,0,0|2,0,0]=4 9173 B10R1.21 C=COCCN1CCSC1 269982a_100011215254_100000039644 [0,1,0,1,0,0|2,0,0]=4 9174 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [0,1,0,1,0,0|2,0,0]=4 9175 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [0,1,0,1,0,0|2,0,0]=4 9176 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [0,1,0,1,0,0|2,0,0]=4 9177 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [0,1,0,1,0,0|2,0,0]=4 9178 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [0,1,0,1,0,0|2,0,0]=4 9179 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [0,1,0,1,0,0|2,0,0]=4 9180 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [0,1,0,1,0,0|2,0,0]=4 9181 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [0,1,0,1,0,0|2,0,0]=4 9182 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [0,1,0,1,0,0|1,0,1]=4 9183 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [0,1,0,1,0,0|1,0,1]=4 9184 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [0,1,0,1,0,0|1,0,1]=4 9185 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [0,1,0,1,0,0|1,0,1]=4 9186 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [0,1,0,1,0,0|1,0,1]=4 9187 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [0,1,0,1,0,0|1,0,1]=4 9188 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [0,1,0,1,0,0|1,0,1]=4 9189 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [0,1,0,1,0,0|1,0,1]=4 9190 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [0,1,0,1,0,0|1,0,1]=4 9191 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [0,1,0,1,0,0|1,0,1]=4 9192 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [0,1,0,1,0,0|1,0,1]=4 9193 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [0,1,0,1,0,0|1,0,1]=4 9194 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [0,1,0,1,0,0|2,0,0]=4 9195 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,1,0,1,0,0|1,0,1]=4 9196 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,1,0,1,0,0|1,0,1]=4 9197 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,1,0,1,0,0|1,0,1]=4 9198 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [0,1,0,1,0,0|1,0,1]=4 9199 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [0,1,0,1,0,0|1,0,1]=4 9200 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [0,1,0,1,0,0|0,0,2]=4 9201 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [0,1,0,1,0,0|1,0,1]=4 9202 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [0,1,0,1,0,0|1,0,1]=4 9203 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [0,1,0,1,0,0|1,0,1]=4 9204 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [0,1,0,1,0,0|1,0,1]=4 9205 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [0,1,0,1,0,0|1,0,1]=4 9206 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [0,1,0,1,0,0|1,0,1]=4 9207 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [0,1,0,1,0,0|1,0,1]=4 9208 B10R1.21 CCOCCN1CCCC1 2230a_100000188435_100011215890 [0,1,0,1,0,0|1,0,1]=4 9209 B10R1.21 CCOCCN1CCCC1 269982a_100000188435_100011215890 [0,1,0,1,0,0|1,0,1]=4 9210 B10R1.21 CCOCSC1CCCC1 62a_100000739092_100000179811 [0,1,0,1,0,0|1,0,1]=4 9211 B10R1.21 CCOCSC1CCCC1 62a_100011217020_100000739092 [0,1,0,1,0,0|1,0,1]=4 9212 B10R1.21 CSCOCC1CCCC1 34a_100000742336_100011218213 [0,1,0,1,0,0|0,1,1]=4 9213 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [0,1,0,1,0,0|1,0,1]=4 9214 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [0,1,0,1,0,0|1,0,1]=4 9215 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [0,1,0,1,0,0|1,0,1]=4 9216 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [0,1,0,1,0,0|1,0,1]=4 9217 B10R1.21 FCOCCC1CCNC1 34a_100016987287_100015361967 [0,1,0,1,0,0|1,0,1]=4 9218 B10R1.21 FCOCCC1CCOC1 34a_100011879284_100015361967 [0,1,0,1,0,0|1,0,1]=4 9219 B10R1.21 N#CCOCC1CCCC1 7a_100000742336_100011215382 [0,1,0,1,0,0|1,0,1]=4 9220 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [0,1,0,1,0,0|1,0,1]=4 9221 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [0,1,0,1,0,0|1,0,0]=3 9222 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [0,1,0,1,0,0|1,0,0]=3 9223 B10R1.21 O=CCCCN1CCSC1 2230a_100011215254_200011292268 [0,1,0,1,0,0|2,0,0]=4 9224 B10R1.21 O=CCCCN1CCSC1 269982a_100011215254_200011292268 [0,1,0,1,0,0|2,0,0]=4 9225 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [0,1,0,1,0,0|1,0,0]=3 9226 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [0,1,0,1,0,0|1,0,0]=3 9227 B10R1.21 O=CCNCC1CCOC1 2230a_100000737293_200015260668 [0,1,0,1,0,0|2,0,0]=4 9228 B10R1.21 O=CCNCC1CCOC1 34a_100000737293_200009817547 [0,1,0,1,0,0|2,0,0]=4 9229 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [0,1,0,1,0,0|2,0,0]=4 9230 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [0,1,0,1,0,0|2,0,0]=4 9231 B10R1.21 O=CCOCC1CC=CC1 34a_100000688395_200009817547 [0,1,0,1,0,0|0,0,2]=4 9232 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [0,1,0,1,0,0|0,0,0]=2 9233 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [0,1,0,1,0,0|0,0,0]=2 9234 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [0,1,0,1,0,0|1,0,0]=3 9235 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [0,1,0,1,0,0|1,0,0]=3 9236 B10R1.21 O=CCOCC1CCNC1 34a_100000748654_200009817547 [0,1,0,1,0,0|1,0,0]=3 9237 B10R1.21 O=CCOCC1CCOC1 34a_100000740260_200009817547 [0,1,0,1,0,0|1,0,0]=3 9238 B10R1.21 O=CCOCC1COCO1 34a_100011216627_200009817547 [0,1,0,1,0,0|2,0,0]=4 9239 B10R1.21 O=CCOCC1OCCO1 34a_100000087154_200009817547 [0,1,0,1,0,0|2,0,0]=4 9240 B10R1.21 O=CCOC[C@H]1CCCN1 34a_100000745186_200009817547 [0,1,0,1,0,0|1,0,0]=3 9241 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [0,1,0,1,0,0|0,1,0]=3 9242 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [0,1,0,1,0,0|0,1,0]=3 9243 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [0,1,0,1,0,0|1,1,0]=4 9244 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [0,1,0,1,0,0|1,1,0]=4 9245 B10R1.21 O=CCSCC1CCOC1 62a_100000702531_200015260668 [0,1,0,1,0,0|1,1,0]=4 9246 B10R1.21 O=CCSCC1CCOC1 62a_200015260668_100000702531 [0,1,0,1,0,0|1,1,0]=4 9247 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [0,1,0,1,0,0|0,0,2]=4 9248 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [0,1,0,1,0,0|0,0,2]=4 9249 B10R1.29 C#CCNC1CCOC1=O 34a_100000212058_100000211211 [0,1,0,1,0,0|0,0,2]=4 9250 B10R1.29 C#CCOC1CCCC1C 34a_100011216460_100000184674 [0,1,0,1,0,0|1,0,1]=4 9251 B10R1.29 C#CCOC1CCCC1C 7a_100011216460_100000038162 [0,1,0,1,0,0|1,0,1]=4 9252 B10R1.29 C#CCOC1CCOC1=O 34a_100000210247_100000211211 [0,1,0,1,0,0|0,0,2]=4 9253 B10R1.29 C#CCSC1CCOC1=O 62a_100000038162_100000211211 [0,1,0,1,0,0|0,0,2]=4 9254 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [0,1,0,1,0,0|2,0,0]=4 9255 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [0,1,0,1,0,0|2,0,0]=4 9256 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [0,1,0,1,0,0|2,0,0]=4 9257 B10R1.29 C=CCCN1CCC[C@@H]1C 2230a_100020605311_100000754431 [0,1,0,1,0,0|2,0,0]=4 9258 B10R1.29 C=CCCN1CCC[C@@H]1C 269982a_100020605311_100000754431 [0,1,0,1,0,0|2,0,0]=4 9259 B10R1.29 C=CCCN1CCC[C@H]1C 2230a_100015189458_100000754431 [0,1,0,1,0,0|2,0,0]=4 9260 B10R1.29 C=CCCN1CCC[C@H]1C 269982a_100015189458_100000754431 [0,1,0,1,0,0|2,0,0]=4 9261 B10R1.29 C=CCCN1CCC[C@H]1C 34a_100015189458_100000754431 [0,1,0,1,0,0|2,0,0]=4 9262 B10R1.29 C=CCNC1CCOC1=O 2230a_100020586998_100000211211 [0,1,0,1,0,0|0,0,2]=4 9263 B10R1.29 C=CCOC1CCCC1C 34a_100011216460_100015514636 [0,1,0,1,0,0|1,0,0]=3 9264 B10R1.29 C=CCOC1CCCC1C 7a_100011216460_100015514636 [0,1,0,1,0,0|1,0,0]=3 9265 B10R1.29 C=CCOC1CCOC1=O 34a_200000210373_100000211211 [0,1,0,1,0,0|0,0,2]=4 9266 B10R1.29 C=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015514636 [0,1,0,1,0,0|2,0,0]=4 9267 B10R1.29 C=CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100015514636 [0,1,0,1,0,0|2,0,0]=4 9268 B10R1.29 C=CCO[C@H]1CNC[C@H]1C 34a_200015306588_100015514636 [0,1,0,1,0,0|2,0,0]=4 9269 B10R1.29 C=CCSC1CCOC1=O 62a_100000210623_100000211211 [0,1,0,1,0,0|0,0,2]=4 9270 B10R1.29 C=CCSC1CCOC1=O 62a_100000211211_100000210623 [0,1,0,1,0,0|0,0,2]=4 9271 B10R1.29 CC1CCCC1OCC#N 7a_100011216460_100011215382 [0,1,0,1,0,0|1,0,1]=4 9272 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [0,1,0,1,0,0|0,0,0]=2 9273 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [0,1,0,1,0,0|0,0,0]=2 9274 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [0,1,0,1,0,0|1,0,1]=4 9275 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [0,1,0,1,0,0|1,0,1]=4 9276 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,1,0,1,0,0|0,0,2]=4 9277 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,1,0,1,0,0|0,0,2]=4 9278 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [0,1,0,1,0,0|2,0,0]=4 9279 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [0,1,0,1,0,0|2,0,0]=4 9280 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [0,1,0,1,0,0|2,0,0]=4 9281 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,1,0,1,0,0|1,0,0]=3 9282 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,1,0,1,0,0|1,0,0]=3 9283 B10R1.29 CCCNC1CCOC1C 270004a_100020643023_100000691750 [0,1,0,1,0,0|1,0,1]=4 9284 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,1,0,1,0,0|1,0,0]=3 9285 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,1,0,1,0,0|1,0,0]=3 9286 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,1,0,0|1,0,0]=3 9287 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,1,0,0|1,0,0]=3 9288 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,1,0,1,0,0|1,0,1]=4 9289 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,1,0,1,0,0|1,0,1]=4 9290 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|0,0,0]=2 9291 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,1,0,1,0,0|1,0,0]=3 9292 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,1,0,0|1,0,0]=3 9293 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,1,0,0|1,0,0]=3 9294 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|0,0,0]=2 9295 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|0,0,0]=2 9296 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [0,1,0,1,0,0|1,0,1]=4 9297 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,1,0,1,0,0|1,0,0]=3 9298 B10R1.29 CCOCN1CCC[C@@H]1C 269982a_100020605311_100000739092 [0,1,0,1,0,0|1,0,1]=4 9299 B10R1.29 CCOCN1CCC[C@H]1C 269982a_100015189458_100000739092 [0,1,0,1,0,0|1,0,1]=4 9300 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,1,0,1,0,0|2,0,0]=4 9301 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,1,0,1,0,0|2,0,0]=4 9302 B10R1.29 CN1CCCC1COCF 34a_100000743107_100015361967 [0,1,0,1,0,0|1,0,1]=4 9303 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [0,1,0,1,0,0|2,0,0]=4 9304 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [0,1,0,1,0,0|2,0,0]=4 9305 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [0,1,0,1,0,0|2,0,0]=4 9306 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [0,1,0,1,0,0|2,0,0]=4 9307 B10R1.29 CNCCN1CCNC1=O 2230a_100011207550_200000210301 [0,1,0,1,0,0|2,0,0]=4 9308 B10R1.29 CNCCN1CCNC1=O 2230a_106832991635_100000090651 [0,1,0,1,0,0|2,0,0]=4 9309 B10R1.29 CNCCN1CCNC1=O 7a_106832991635_100000090651 [0,1,0,1,0,0|2,0,0]=4 9310 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [0,1,0,1,0,0|2,0,0]=4 9311 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [0,1,0,1,0,0|2,0,0]=4 9312 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [0,1,0,1,0,0|2,0,0]=4 9313 B10R1.29 COCCN1CCNC1=O 34a_100000216532_200000210301 [0,1,0,1,0,0|2,0,0]=4 9314 B10R1.29 COCNC1CCNC1=O 2230a_100016995588_100000766300 [0,1,0,1,0,0|2,0,0]=4 9315 B10R1.29 COCN[C@@H]1CONC1=O 2230a_100000765999_100000766300 [0,1,0,1,0,0|2,0,0]=4 9316 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,1,0,1,0,0|2,0,0]=4 9317 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,1,0,1,0,0|2,0,0]=4 9318 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,1,0,1,0,0|1,0,0]=3 9319 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,1,0,1,0,0|1,0,0]=3 9320 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,1,0,1,0,0|2,0,0]=4 9321 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,1,0,1,0,0|2,0,0]=4 9322 B10R1.29 CSCCN1CCNC1=O 62a_100000090651_200000210301 [0,1,0,1,0,0|2,0,0]=4 9323 B10R1.29 CSCCN1CCNC1=O 62a_200000210301_100000090651 [0,1,0,1,0,0|2,0,0]=4 9324 B10R1.29 CSCNC1CCNC1=O 2230a_100016995588_100011218213 [0,1,0,1,0,0|2,0,0]=4 9325 B10R1.29 CSCNC1CCNC1=O 34a_100016995588_100011218213 [0,1,0,1,0,0|2,0,0]=4 9326 B10R1.29 CSCN[C@@H]1CONC1=O 2230a_100000765999_100011218213 [0,1,0,1,0,0|2,0,0]=4 9327 B10R1.29 CSCN[C@@H]1CONC1=O 34a_100000765999_100011218213 [0,1,0,1,0,0|2,0,0]=4 9328 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,1,0,1,0,0|2,0,0]=4 9329 B10R1.29 CSCOC1CCCC1C 34a_100011216460_100011218213 [0,1,0,1,0,0|0,1,1]=4 9330 B10R1.29 CSCO[C@H]1CCNC1=O 34a_100000688343_100011218213 [0,1,0,1,0,0|2,0,0]=4 9331 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,1,0,1,0,0|2,0,0]=4 9332 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,1,0,1,0,0|2,0,0]=4 9333 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,1,0,1,0,0|1,0,0]=3 9334 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,1,0,1,0,0|1,0,0]=3 9335 B10R1.29 C[C@@H]1CNC[C@@H]1OCC=O 34a_200015306588_200009817547 [0,1,0,1,0,0|1,0,0]=3 9336 B10R1.29 N#CCSC1CCOC1=O 62a_100000211211_100011215382 [0,1,0,1,0,0|1,0,1]=4 9337 B10R1.29 N#CCSC1CCOC1=O 62a_100011215382_100000211211 [0,1,0,1,0,0|1,0,1]=4 9338 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [0,1,0,1,0,0|2,0,0]=4 9339 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,1,0,1,0,0|1,0,0]=3 9340 B10R1.29 N[C@H]1CCC[C@@H]1OCC=O 34a_100000748460_200009817547 [0,1,0,1,0,0|1,0,0]=3 9341 B10R1.29 N[C@H]1COC[C@@H]1OCC=O 34a_100015191717_200009817547 [0,1,0,1,0,0|2,0,0]=4 9342 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [0,1,0,1,0,0|2,0,0]=4 9343 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,1,0,1,0,0|2,0,0]=4 9344 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,1,0,1,0,0|2,0,0]=4 9345 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [0,1,0,1,0,0|2,0,0]=4 9346 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [0,1,0,1,0,0|2,0,0]=4 9347 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,1,0,1,0,0|2,0,0]=4 9348 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [0,1,0,1,0,0|2,0,0]=4 9349 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [0,1,0,1,0,0|2,0,0]=4 9350 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,1,0,1,0,0|2,0,0]=4 9351 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,1,0,1,0,0|2,0,0]=4 9352 B10R1.29 O=C1NCCC1COCF 34a_100000133458_100015361967 [0,1,0,1,0,0|2,0,0]=4 9353 B10R1.29 O=C1NCCC1NCCF 2230a_100016995588_100011217306 [0,1,0,1,0,0|2,0,0]=4 9354 B10R1.29 O=C1NCCC1NCCF 34a_100016995588_100011217306 [0,1,0,1,0,0|2,0,0]=4 9355 B10R1.29 O=C1NCCC1NCCO 2230a_100016995588_100000211926 [0,1,0,1,0,0|2,0,0]=4 9356 B10R1.29 O=C1NCCC1NCCO 34a_100016995588_100000211926 [0,1,0,1,0,0|2,0,0]=4 9357 B10R1.29 O=C1NCC[C@@H]1OCCF 34a_100000688343_100011217306 [0,1,0,1,0,0|2,0,0]=4 9358 B10R1.29 O=C1NCC[C@@H]1OCCO 34a_100000688343_100000211926 [0,1,0,1,0,0|2,0,0]=4 9359 B10R1.29 O=C1NOC[C@H]1NCCF 2230a_100000765999_100011217306 [0,1,0,1,0,0|2,0,0]=4 9360 B10R1.29 O=C1NOC[C@H]1NCCF 34a_100000765999_100011217306 [0,1,0,1,0,0|2,0,0]=4 9361 B10R1.29 O=C1NOC[C@H]1NCCO 2230a_100000765999_100000211926 [0,1,0,1,0,0|2,0,0]=4 9362 B10R1.29 O=C1NOC[C@H]1NCCO 34a_100000765999_100000211926 [0,1,0,1,0,0|2,0,0]=4 9363 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,1,0,1,0,0|1,0,0]=3 9364 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,1,0,1,0,0|1,0,0]=3 9365 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,1,0,1,0,0|1,0,0]=3 9366 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,1,0,1,0,0|1,0,0]=3 9367 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,1,0,1,0,0|1,0,0]=3 9368 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,1,0,1,0,0|1,0,0]=3 9369 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,1,0,1,0,0|1,0,0]=3 9370 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,1,0,1,0,0|1,0,0]=3 9371 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [0,1,0,1,0,0|1,0,1]=4 9372 B10R1.29 O=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200009817547 [0,1,0,1,0,0|1,0,0]=3 9373 B10R1.29 O=CCSC1CCOC1=O 62a_100000211211_200015260668 [0,1,0,1,0,0|1,0,1]=4 9374 B10R1.29 O=CCSC1CCOC1=O 62a_200015260668_100000211211 [0,1,0,1,0,0|1,0,1]=4 9375 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200015260668_200016002552 [0,1,0,1,0,0|1,1,0]=4 9376 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_200015260668 [0,1,0,1,0,0|1,1,0]=4 9377 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [0,1,0,1,0,0|2,0,0]=4 9378 B10R1.29 [13CH3]NCCN1CCNC1=O 2230a_100011207550_200025704644 [0,1,0,1,0,0|2,0,0]=4 9379 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [0,1,0,1,0,0|2,0,0]=4 9380 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [0,1,0,1,0,0|2,0,0]=4 9381 B10R1.29 [13CH3]OCCN1CCNC1=O 34a_100000216532_200025704644 [0,1,0,1,0,0|2,0,0]=4 9382 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,1,0,1,0,0|2,0,0]=4 9383 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,1,0,1,0,0|2,0,0]=4 9384 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_100000090651_200025704644 [0,1,0,1,0,0|2,0,0]=4 9385 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_200025704644_100000090651 [0,1,0,1,0,0|2,0,0]=4 9386 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [0,1,0,1,0,0|2,0,0]=4 9387 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [0,1,0,1,0,0|2,0,0]=4 9388 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [0,1,0,1,0,0|2,0,0]=4 9389 B10R1.85 CCCN1CCCOCC1 2230a_100000685342_100000210303 [0,1,0,1,0,0|1,0,1]=4 9390 B10R1.85 CCCN1CCCOCC1 269982a_100000685342_100000210303 [0,1,0,1,0,0|1,0,1]=4 9391 B10R1.85 CCCN1CCCOCC1 34a_100000685342_100000210303 [0,1,0,1,0,0|1,0,1]=4 9392 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,1,0,1,0,0|1,0,1]=4 9393 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,1,0,1,0,0|1,0,1]=4 9394 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,1,0,1,0,0|1,0,1]=4 9395 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,1,0,1,0,0|1,0,1]=4 9396 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,1,0,1,0,0|1,0,1]=4 9397 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,1,0,1,0,0|1,0,0]=3 9398 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,1,0,1,0,0|1,0,0]=3 9399 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,1,0,1,0,0|1,0,0]=3 9400 B10R1.85 O=CCN1CCCOCC1 2230a_100000685342_200015260668 [0,1,0,1,0,0|2,0,0]=4 9401 B10R1.85 O=CCN1CCCOCC1 269982a_100000685342_200015260668 [0,1,0,1,0,0|2,0,0]=4 9402 B10R1.85 O=CCN1CCCOCC1 34a_100000685342_200009817547 [0,1,0,1,0,0|2,0,0]=4 9403 B10R1.130 CC1CC(C(=O)O1)SCF 62a_100015361967_200000216747 [0,1,0,1,0,0|2,0,0]=4 9404 B10R1.130 CC1CC(C(=O)O1)SCF 62a_200000216747_100015361967 [0,1,0,1,0,0|2,0,0]=4 9405 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,1,0,1,0,0|1,0,0]=3 9406 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,1,0,1,0,0|1,0,0]=3 9407 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,1,0,1,0,0|1,0,0]=3 9408 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,1,0,1,0,0|1,0,0]=3 9409 B10R1.137 CN(CC=O)CC1CCC1 2230a_200000750244_200015260668 [0,1,0,1,0,0|2,0,0]=4 9410 B10R1.137 CN(CC=O)CC1CCC1 269982a_200000750244_200015260668 [0,1,0,1,0,0|2,0,0]=4 9411 B10R1.137 CN(CC=O)CC1CCC1 34a_200000750244_200009817547 [0,1,0,1,0,0|2,0,0]=4 9412 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|1,0,1]=4 9413 B10R1.139 CCCN(C)C1CCC1=O 269982a_100000747261_100009892977 [0,1,0,1,0,0|2,0,0]=4 9414 B10R1.186 C=COCCC(=O)C1CC1 1458a_100000210395_100000039644 [0,1,0,1,0,0|1,0,1]=4 9415 B10R1.186 C=COCCN(C)C1CC1 2230a_100000226674_100000039644 [0,1,0,1,0,0|2,0,0]=4 9416 B10R1.186 C=COCCN(C)C1CC1 269982a_100000226674_100000039644 [0,1,0,1,0,0|2,0,0]=4 9417 B10R1.186 CN(CCCC=O)C1CC1 2230a_100000226674_200011292268 [0,1,0,1,0,0|2,0,0]=4 9418 B10R1.186 CN(CCCC=O)C1CC1 269982a_100000226674_200011292268 [0,1,0,1,0,0|2,0,0]=4 9419 B10R1.186 N[C@@H](COCC=O)C1CC1 34a_100020623730_200009817547 [0,1,0,1,0,0|2,0,0]=4 9420 B10R1.186 O=CCNCC(O)C1CC1 2230a_100000751198_200015260668 [0,1,0,1,0,0|2,0,0]=4 9421 B10R1.186 O=CCNCC(O)C1CC1 34a_100000751198_200009817547 [0,1,0,1,0,0|2,0,0]=4 9422 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 9423 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 9424 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 9425 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 9426 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 9427 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 9428 B10R1.376 CC1(CCC1)CNCC=O 2230a_100000706607_200015260668 [0,1,0,1,0,0|2,0,0]=4 9429 B10R1.376 CC1(CCC1)CSCC=O 62a_100000726658_200015260668 [0,1,0,1,0,0|2,0,0]=4 9430 B10R1.376 CC1(CCC1)CSCC=O 62a_200015260668_100000726658 [0,1,0,1,0,0|2,0,0]=4 9431 B10R1.376 O=CCNCC1(CCC1)O 2230a_100000752638_200015260668 [0,1,0,1,0,0|2,0,0]=4 9432 B10R1.377 CC1(CCCCC1)OCF 34a_100011215885_100015361967 [0,1,0,1,0,0|1,0,1]=4 9433 B10R1.377 CC1(CCCCC1)OCF 7a_100011215885_100015361967 [0,1,0,1,0,0|1,0,1]=4 9434 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [0,1,0,1,0,0|1,0,1]=4 9435 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [0,1,0,1,0,0|1,0,1]=4 9436 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [0,1,0,1,0,0|2,0,0]=4 9437 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [0,1,0,1,0,0|2,0,0]=4 9438 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [0,1,0,1,0,0|2,0,0]=4 9439 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,1,0,1,0,0|1,0,1]=4 9440 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,1,0,1,0,0|1,0,1]=4 9441 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,1,0,1,0,0|1,0,0]=3 9442 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,1,0,1,0,0|1,0,0]=3 9443 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,1,0,1,0,0|1,0,0]=3 9444 B10R1.4 CC1CCNCC1OCF 34a_100000696640_100015361967 [0,1,0,1,0,0|1,0,1]=4 9445 B10R1.4 CC1CNCCC1OCF 34a_100011998114_100015361967 [0,1,0,1,0,0|1,0,1]=4 9446 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [0,1,0,1,0,0|1,0,0]=3 9447 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [0,1,0,1,0,0|1,0,0]=3 9448 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [0,1,0,1,0,0|1,0,0]=3 9449 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,1,0,1,0,0|1,0,0]=3 9450 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,1,0,1,0,0|1,0,0]=3 9451 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,1,0,1,0,0|1,0,1]=4 9452 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,1,0,1,0,0|1,0,1]=4 9453 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [0,1,0,1,0,0|1,0,1]=4 9454 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [0,1,0,1,0,0|1,0,1]=4 9455 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [0,1,0,1,0,0|1,0,1]=4 9456 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,1,0,1,0,0|1,0,1]=4 9457 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,1,0,1,0,0|1,0,0]=3 9458 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,1,0,1,0,0|1,0,0]=3 9459 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [0,1,0,1,0,0|1,0,1]=4 9460 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [0,1,0,1,0,0|1,0,1]=4 9461 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,1,0,1,0,0|2,0,0]=4 9462 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [0,1,0,1,0,0|1,0,1]=4 9463 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [0,1,0,1,0,0|1,0,1]=4 9464 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [0,1,0,1,0,0|1,0,1]=4 9465 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,1,0,1,0,0|1,0,0]=3 9466 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,1,0,1,0,0|1,0,0]=3 9467 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [0,1,0,1,0,0|1,0,0]=3 9468 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [0,1,0,1,0,0|1,0,0]=3 9469 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,1,0,1,0,0|2,0,0]=4 9470 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,1,0,1,0,0|2,0,0]=4 9471 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,1,0,1,0,0|1,0,0]=3 9472 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,1,0,1,0,0|1,0,0]=3 9473 B10R1.4 C[C@H]1COCCN1CC=O 2230a_100009815349_200015260668 [0,1,0,1,0,0|2,0,0]=4 9474 B10R1.4 C[C@H]1COCCN1CC=O 269982a_100009815349_200015260668 [0,1,0,1,0,0|2,0,0]=4 9475 B10R1.4 C[C@H]1COCCN1CC=O 34a_100009815349_200009817547 [0,1,0,1,0,0|2,0,0]=4 9476 B10R1.4 FCOC1CCCCC1Cl 34a_100000038908_100015361967 [0,1,0,1,0,0|1,0,1]=4 9477 B10R1.4 FCOC1CCCCC1Cl 7a_100000038908_100015361967 [0,1,0,1,0,0|1,0,1]=4 9478 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015361967 [0,1,0,1,0,0|1,0,1]=4 9479 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015361967 [0,1,0,1,0,0|1,0,1]=4 9480 B10R1.4 N[C@@H]1CCCC[C@@H]1OCF 34a_100015191688_100015361967 [0,1,0,1,0,0|1,0,1]=4 9481 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,1,0,1,0,0|2,0,0]=4 9482 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [0,1,0,1,0,0|2,0,0]=4 9483 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [0,1,0,1,0,0|2,0,0]=4 9484 B10R1.4 O=C1NCCCC1NCF 34a_100000747585_100015361967 [0,1,0,1,0,0|2,0,0]=4 9485 B10R1.4 O=C1NCCCC1OCF 34a_100000073722_100015361967 [0,1,0,1,0,0|2,0,0]=4 9486 B10R1.4 O=C1NCCCC1SCF 62a_100000687798_100015361967 [0,1,0,1,0,0|2,0,0]=4 9487 B10R1.4 O=C1NCCCC1SCF 62a_100015361967_100000687798 [0,1,0,1,0,0|2,0,0]=4 9488 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,1,0,1,0,0|1,0,0]=3 9489 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,1,0,1,0,0|1,0,0]=3 9490 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [0,1,0,1,0,0|1,0,1]=4 9491 B10R1.17 C#CCOC1CCCCC1 34a_100000210231_100000184674 [0,1,0,1,0,0|1,0,1]=4 9492 B10R1.17 C#CCOC1CCCCC1 34a_100000210247_100000210327 [0,1,0,1,0,0|1,0,1]=4 9493 B10R1.17 C#CCOC1CCCCC1 7a_100000210231_100000038162 [0,1,0,1,0,0|1,0,1]=4 9494 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [0,1,0,1,0,0|2,0,0]=4 9495 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [0,1,0,1,0,0|2,0,0]=4 9496 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [0,1,0,1,0,0|2,0,0]=4 9497 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [0,1,0,1,0,0|1,0,0]=3 9498 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [0,1,0,1,0,0|1,0,0]=3 9499 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [0,1,0,1,0,0|1,0,0]=3 9500 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [0,1,0,1,0,0|2,0,0]=4 9501 B10R1.17 C=CCOC1CCCOC1 34a_100000754041_100015514636 [0,1,0,1,0,0|2,0,0]=4 9502 B10R1.17 C=CCOC1CCCOC1 34a_200000210373_100000693364 [0,1,0,1,0,0|2,0,0]=4 9503 B10R1.17 C=CCOC1CCCSC1 7a_100015962668_100015514636 [0,1,0,1,0,0|2,0,0]=4 9504 B10R1.17 C=CCOC1CCOCC1 34a_100000744328_100015514636 [0,1,0,1,0,0|2,0,0]=4 9505 B10R1.17 C=CCOC1CCSCC1 34a_100000731022_100015514636 [0,1,0,1,0,0|2,0,0]=4 9506 B10R1.17 C=CCOC1CCSCC1 34a_200000210373_100000069128 [0,1,0,1,0,0|2,0,0]=4 9507 B10R1.17 C=CCOC1CCSCC1 7a_100000731022_100015514636 [0,1,0,1,0,0|2,0,0]=4 9508 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [0,1,0,1,0,0|1,1,0]=4 9509 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [0,1,0,1,0,0|1,1,0]=4 9510 B10R1.17 CC=NNC1CCCCC1 4a_100000709804_200000210099 [0,1,0,1,0,0|2,0,0]=4 9511 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [0,1,0,1,0,0|2,0,0]=4 9512 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [0,1,0,1,0,0|2,0,0]=4 9513 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [0,1,0,1,0,0|2,0,0]=4 9514 B10R1.17 CCCCN1CCOCC1 2230a_100015191051_100000210211 [0,1,0,1,0,0|1,0,1]=4 9515 B10R1.17 CCCCN1CCOCC1 269982a_100015191051_100000210211 [0,1,0,1,0,0|1,0,1]=4 9516 B10R1.17 CCCCN1CCOCC1 34a_100015191051_100000210210 [0,1,0,1,0,0|1,0,1]=4 9517 B10R1.17 CCCNC1CCOCC1 2230a_100000741149_100000210303 [0,1,0,1,0,0|1,0,1]=4 9518 B10R1.17 CCCNC1CCOCC1 270004a_100020643023_100011217826 [0,1,0,1,0,0|1,0,1]=4 9519 B10R1.17 CCCNC1CCOCC1 34a_100000741149_100000210303 [0,1,0,1,0,0|1,0,1]=4 9520 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,1,0,1,0,0|2,0,0]=4 9521 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [0,1,0,1,0,0|2,0,0]=4 9522 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,1,0,1,0,0|1,0,1]=4 9523 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,1,0,1,0,0|1,0,1]=4 9524 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,1,0,1,0,0|1,0,1]=4 9525 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [0,1,0,1,0,0|1,0,1]=4 9526 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [0,1,0,1,0,0|2,0,0]=4 9527 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [0,1,0,1,0,0|2,0,0]=4 9528 B10R1.17 CCCSC1CCOCC1 62a_100000210303_100011324220 [0,1,0,1,0,0|1,0,1]=4 9529 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [0,1,0,1,0,0|2,0,0]=4 9530 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [0,1,0,1,0,0|1,0,1]=4 9531 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [0,1,0,1,0,0|1,0,1]=4 9532 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [0,1,0,1,0,0|1,0,1]=4 9533 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [0,1,0,1,0,0|1,0,1]=4 9534 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [0,1,0,1,0,0|2,0,0]=4 9535 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,1,0,1,0,0|1,0,1]=4 9536 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,1,0,1,0,0|1,0,1]=4 9537 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,1,0,1,0,0|1,0,1]=4 9538 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,1,0,1,0,0|1,0,1]=4 9539 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [0,1,0,1,0,0|1,0,1]=4 9540 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,1,0,1,0,0|1,0,1]=4 9541 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,1,0,1,0,0|1,0,1]=4 9542 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,1,0,1,0,0|1,0,1]=4 9543 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [0,1,0,1,0,0|1,0,1]=4 9544 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [0,1,0,1,0,0|1,0,1]=4 9545 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [0,1,0,1,0,0|1,0,1]=4 9546 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [0,1,0,1,0,0|1,0,1]=4 9547 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [0,1,0,1,0,0|1,0,1]=4 9548 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [0,1,0,1,0,0|1,0,1]=4 9549 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [0,1,0,1,0,0|1,0,1]=4 9550 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [0,1,0,1,0,0|1,0,1]=4 9551 B10R1.17 CCSCC1CCOCC1 62a_100000210202_100000749018 [0,1,0,1,0,0|1,0,1]=4 9552 B10R1.17 CCSCC1CCOCC1 62a_100000754603_100000210202 [0,1,0,1,0,0|1,0,1]=4 9553 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [0,1,0,1,0,0|1,0,1]=4 9554 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [0,1,0,1,0,0|1,0,1]=4 9555 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [0,1,0,1,0,0|1,0,1]=4 9556 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [0,1,0,1,0,0|1,0,1]=4 9557 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [0,1,0,1,0,0|1,0,1]=4 9558 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [0,1,0,1,0,0|1,0,1]=4 9559 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [0,1,0,1,0,0|1,0,1]=4 9560 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [0,1,0,1,0,0|1,0,1]=4 9561 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [0,1,0,1,0,0|1,0,1]=4 9562 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [0,1,0,1,0,0|1,0,1]=4 9563 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [0,1,0,1,0,0|1,0,1]=4 9564 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [0,1,0,1,0,0|0,0,2]=4 9565 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [0,1,0,1,0,0|1,0,1]=4 9566 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [0,1,0,1,0,0|1,0,1]=4 9567 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [0,1,0,1,0,0|0,1,1]=4 9568 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [0,1,0,1,0,0|0,1,1]=4 9569 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [0,1,0,1,0,0|0,1,1]=4 9570 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [0,1,0,1,0,0|1,0,1]=4 9571 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [0,1,0,1,0,0|1,0,1]=4 9572 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [0,1,0,1,0,0|1,0,1]=4 9573 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [0,1,0,1,0,0|1,0,1]=4 9574 B10R1.17 FCOCC1CCCCN1 34a_100000210821_100015361967 [0,1,0,1,0,0|1,0,1]=4 9575 B10R1.17 FCOCC1CCCCO1 34a_100000211370_100015361967 [0,1,0,1,0,0|1,0,1]=4 9576 B10R1.17 FCOCC1CCCCO1 7a_100000211370_100015361967 [0,1,0,1,0,0|1,0,1]=4 9577 B10R1.17 FCOCC1CCCNC1 34a_100000211344_100015361967 [0,1,0,1,0,0|1,0,1]=4 9578 B10R1.17 FCOCC1CCCOC1 34a_100000741520_100015361967 [0,1,0,1,0,0|1,0,1]=4 9579 B10R1.17 FCOCC1CCNCC1 34a_100000738675_100015361967 [0,1,0,1,0,0|1,0,1]=4 9580 B10R1.17 FCOCC1CCOCC1 34a_100000749013_100015361967 [0,1,0,1,0,0|1,0,1]=4 9581 B10R1.17 FCOCC1CCSCC1 34a_100000070558_100015361967 [0,1,0,1,0,0|1,0,1]=4 9582 B10R1.17 FCOCC1CCSCC1 7a_100000070558_100015361967 [0,1,0,1,0,0|1,0,1]=4 9583 B10R1.17 N#CCOC1CCCCC1 7a_100000210231_100011215382 [0,1,0,1,0,0|1,0,1]=4 9584 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [0,1,0,1,0,0|1,0,1]=4 9585 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [0,1,0,1,0,0|1,0,0]=3 9586 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [0,1,0,1,0,0|1,0,0]=3 9587 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [0,1,0,1,0,0|2,0,0]=4 9588 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [0,1,0,1,0,0|2,0,0]=4 9589 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [0,1,0,1,0,0|2,0,0]=4 9590 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [0,1,0,1,0,0|2,0,0]=4 9591 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [0,1,0,1,0,0|2,0,0]=4 9592 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [0,1,0,1,0,0|2,0,0]=4 9593 B10R1.17 O=CCOC1C=CCCC1 34a_100011215024_200009817547 [0,1,0,1,0,0|0,0,2]=4 9594 B10R1.17 O=CCOC1CC=CCC1 34a_100000073881_200009817547 [0,1,0,1,0,0|0,0,2]=4 9595 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [0,1,0,1,0,0|0,0,0]=2 9596 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [0,1,0,1,0,0|0,0,0]=2 9597 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,1,0,1,0,0|1,0,0]=3 9598 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [0,1,0,1,0,0|1,0,0]=3 9599 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [0,1,0,1,0,0|1,0,0]=3 9600 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [0,1,0,1,0,0|1,0,0]=3 9601 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [0,1,0,1,0,0|1,0,0]=3 9602 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [0,1,0,1,0,0|1,0,0]=3 9603 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [0,1,0,1,0,0|0,1,0]=3 9604 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [0,1,0,1,0,0|0,1,0]=3 9605 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [0,1,0,1,0,0|1,1,0]=4 9606 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [0,1,0,1,0,0|1,1,0]=4 9607 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [0,1,0,1,0,0|1,1,0]=4 9608 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,1,0,1,0,0|0,0,2]=4 9609 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,1,0,1,0,0|0,0,2]=4 9610 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [0,1,0,1,0,0|1,0,1]=4 9611 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [0,1,0,1,0,0|1,0,1]=4 9612 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [0,1,0,1,0,0|1,0,1]=4 9613 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [0,1,0,1,0,0|1,0,1]=4 9614 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [0,1,0,1,0,0|1,0,1]=4 9615 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [0,1,0,1,0,0|1,0,1]=4 9616 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [0,1,0,1,0,0|0,1,1]=4 9617 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [0,1,0,1,0,0|0,1,1]=4 9618 B10R1.178 CC(NCC=O)C1CCC1 2230a_100016994624_200015260668 [0,1,0,1,0,0|2,0,0]=4 9619 B10R1.178 CC(NCC=O)C1CCC1 34a_100016994624_200009817547 [0,1,0,1,0,0|2,0,0]=4 9620 B10R1.178 CC(OCC=O)C1CCC1 34a_100000766398_200009817547 [0,1,0,1,0,0|2,0,0]=4 9621 B10R1.178 CC(OCC=O)C1CCC1 7a_100000766398_200015260668 [0,1,0,1,0,0|2,0,0]=4 9622 B10R1.187 CC1CCC(N1CC=O)C 2230a_100000687148_200015260668 [0,1,0,1,0,0|2,0,0]=4 9623 B10R1.187 CC1CCC(N1CC=O)C 269982a_100000687148_200015260668 [0,1,0,1,0,0|2,0,0]=4 9624 B10R1.187 CC1CCC(N1CC=O)C 34a_100000687148_200009817547 [0,1,0,1,0,0|2,0,0]=4 9625 B10R1.187 CCOC1C(=O)COC1=O 34a_100121572206_100000032967 [0,1,0,1,0,0|1,0,1]=4 9626 B10R1.187 CCSC1C(=O)COC1=O 62a_100000210202_100000032967 [0,1,0,1,0,0|1,0,1]=4 9627 B10R1.216 CC1(CCCC1)OCC=O 34a_100000751722_200009817547 [0,1,0,1,0,0|2,0,0]=4 9628 B10R1.216 CC1(CCCC1)OCC=O 7a_100000751722_200015260668 [0,1,0,1,0,0|2,0,0]=4 9629 B10R1.216 CCOCC1(CCCC1)N 34a_100000749328_100000210202 [0,1,0,1,0,0|1,0,1]=4 9630 B10R1.216 NC1(CCCC1)COCF 34a_100000749328_100015361967 [0,1,0,1,0,0|1,0,1]=4 9631 B10R1.5 C=CCN1CCCC1CC 2230a_100000754278_100000210623 [0,1,0,1,0,0|2,0,0]=4 9632 B10R1.5 C=CCN1CCCC1CC 269982a_100000754278_100000210623 [0,1,0,1,0,0|2,0,0]=4 9633 B10R1.5 C=CCN1CCCC1CC 34a_100000754278_100015514636 [0,1,0,1,0,0|2,0,0]=4 9634 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [0,1,0,1,0,0|1,0,0]=3 9635 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [0,1,0,1,0,0|1,0,0]=3 9636 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [0,1,0,1,0,0|1,0,0]=3 9637 B10R1.5 O=CCN1CCC[C@@H]1CO 2230a_100000745186_200015260668 [0,1,0,1,0,0|2,0,0]=4 9638 B10R1.5 O=CCN1CCC[C@@H]1CO 269982a_100000745186_200015260668 [0,1,0,1,0,0|2,0,0]=4 9639 B10R1.5 O=CCN1CCC[C@@H]1CO 34a_100000745186_200009817547 [0,1,0,1,0,0|2,0,0]=4 9640 B10R1.37 C=CCCCN1CCC1C 269982a_100000755817_100000757094 [0,1,0,1,0,0|2,0,0]=4 9641 B10R1.37 C=CCCCN1CCC1C 34a_100000755817_100000757094 [0,1,0,1,0,0|2,0,0]=4 9642 B10R1.37 C=COCCN1CCC1C 269982a_100000755817_100000039644 [0,1,0,1,0,0|1,0,0]=3 9643 B10R1.37 C=COCCN1CCC1C 34a_100000755817_100000039644 [0,1,0,1,0,0|1,0,0]=3 9644 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [0,1,0,1,0,0|1,0,0]=3 9645 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|1,0,0]=3 9646 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|1,0,0]=3 9647 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|1,0,0]=3 9648 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|1,0,0]=3 9649 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|1,0,0]=3 9650 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|1,0,0]=3 9651 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [0,1,0,1,0,0|1,0,1]=4 9652 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [0,1,0,1,0,0|1,0,1]=4 9653 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,1,0,1,0,0|2,0,0]=4 9654 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,1,0,1,0,0|2,0,0]=4 9655 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|1,0,0]=3 9656 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|1,0,0]=3 9657 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,1,0,1,0,0|2,0,0]=4 9658 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,1,0,1,0,0|2,0,0]=4 9659 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,1,0,1,0,0|2,0,0]=4 9660 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,1,0,1,0,0|2,0,0]=4 9661 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,1,0,1,0,0|2,0,0]=4 9662 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,1,0,1,0,0|2,0,0]=4 9663 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,1,0,1,0,0|2,0,0]=4 9664 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,1,0,1,0,0|2,0,0]=4 9665 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,1,0,1,0,0|2,0,0]=4 9666 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,1,0,1,0,0|2,0,0]=4 9667 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,1,0,1,0,0|2,0,0]=4 9668 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,1,0,1,0,0|2,0,0]=4 9669 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,1,0,1,0,0|2,0,0]=4 9670 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,1,0,1,0,0|2,0,0]=4 9671 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,1,0,1,0,0|2,0,0]=4 9672 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,1,0,1,0,0|2,0,0]=4 9673 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,1,0,1,0,0|2,0,0]=4 9674 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,1,0,1,0,0|2,0,0]=4 9675 B10R1.57 C/C=C/CCOC1CCC1 34a_100016278192_100000749161 [0,1,0,1,0,0|2,0,0]=4 9676 B10R1.57 C/C=C/CNCC1CCC1 34a_100000738700_100102629194 [0,1,0,1,0,0|2,0,0]=4 9677 B10R1.57 C/C=C/COCC1CCC1 34a_100000760304_100102629194 [0,1,0,1,0,0|2,0,0]=4 9678 B10R1.57 C/C=C/COCC1CCC1 34a_100016270725_100000763275 [0,1,0,1,0,0|2,0,0]=4 9679 B10R1.57 C/C=C/CSCC1CCC1 62a_100000763275_100102629194 [0,1,0,1,0,0|2,0,0]=4 9680 B10R1.57 C/C=C/CSCC1CCC1 62a_100102629194_100000763275 [0,1,0,1,0,0|2,0,0]=4 9681 B10R1.57 C=CCCCCN1CCC1 269982a_100000754969_100011215482 [0,1,0,1,0,0|2,0,0]=4 9682 B10R1.57 C=CCCCNC1CCC1 2230a_100000749019_100011713584 [0,1,0,1,0,0|2,0,0]=4 9683 B10R1.57 C=CCCCNC1CCC1 270004a_100000700776_100000241760 [0,1,0,1,0,0|2,0,0]=4 9684 B10R1.57 C=CCCCNC1CCC1 34a_100000700776_100000749161 [0,1,0,1,0,0|2,0,0]=4 9685 B10R1.57 C=CCCCNC1CCC1 34a_100000749019_100000757094 [0,1,0,1,0,0|2,0,0]=4 9686 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [0,1,0,1,0,0|2,0,0]=4 9687 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [0,1,0,1,0,0|2,0,0]=4 9688 B10R1.57 C=CCCCSC1CCC1 62a_100011713584_100000749161 [0,1,0,1,0,0|2,0,0]=4 9689 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [0,1,0,1,0,0|2,0,0]=4 9690 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [0,1,0,1,0,0|2,0,0]=4 9691 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [0,1,0,1,0,0|2,0,0]=4 9692 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [0,1,0,1,0,0|2,0,0]=4 9693 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [0,1,0,1,0,0|2,0,0]=4 9694 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [0,1,0,1,0,0|2,0,0]=4 9695 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [0,1,0,1,0,0|2,0,0]=4 9696 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [0,1,0,1,0,0|2,0,0]=4 9697 B10R1.57 C=CCOCCC1COC1 34a_100009855314_100015514636 [0,1,0,1,0,0|2,0,0]=4 9698 B10R1.57 C=COCCNC1CCC1 2230a_100000749019_100000039644 [0,1,0,1,0,0|1,0,0]=3 9699 B10R1.57 C=COCCNC1CCC1 34a_100000749019_100000039644 [0,1,0,1,0,0|1,0,0]=3 9700 B10R1.57 C=COCCNC1COC1 2230a_100016991112_100000039644 [0,1,0,1,0,0|2,0,0]=4 9701 B10R1.57 C=COCCOC1CCC1 34a_100000033082_100000749161 [0,1,0,1,0,0|1,0,0]=3 9702 B10R1.57 C=COCCOC1CCC1 34a_100000748187_100000039644 [0,1,0,1,0,0|1,0,0]=3 9703 B10R1.57 C=COCCOC1COC1 34a_100000033082_100009818527 [0,1,0,1,0,0|2,0,0]=4 9704 B10R1.57 C=COCCOC1CSC1 7a_100000072292_100000039644 [0,1,0,1,0,0|2,0,0]=4 9705 B10R1.57 C=COCCSC1CCC1 62a_100000039644_100000749161 [0,1,0,1,0,0|1,0,0]=3 9706 B10R1.57 C=COCCSC1COC1 62a_100000039644_100009818527 [0,1,0,1,0,0|2,0,0]=4 9707 B10R1.57 CC=CCNCC1CCC1 2230a_100000738700_100000070051 [0,1,0,1,0,0|2,0,0]=4 9708 B10R1.57 CC=CCNCC1CCC1 34a_100000738700_100000070051 [0,1,0,1,0,0|2,0,0]=4 9709 B10R1.57 CC=CCOCC1CCC1 34a_100000760304_100000070051 [0,1,0,1,0,0|2,0,0]=4 9710 B10R1.57 CC=CCSCC1CCC1 62a_100000070051_100000763275 [0,1,0,1,0,0|2,0,0]=4 9711 B10R1.57 CC=CCSCC1CCC1 62a_100000763275_100000070051 [0,1,0,1,0,0|2,0,0]=4 9712 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,1,0,1,0,0|1,0,1]=4 9713 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,1,0,1,0,0|1,0,1]=4 9714 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,1,0,1,0,0|1,0,1]=4 9715 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,1,0,1,0,0|1,0,1]=4 9716 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,1,0,1,0,0|1,0,1]=4 9717 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,1,0,1,0,0|1,0,1]=4 9718 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,1,0,1,0,0|1,0,1]=4 9719 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,1,0,1,0,0|1,0,1]=4 9720 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,1,0,1,0,0|1,0,1]=4 9721 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [0,1,0,1,0,0|1,0,1]=4 9722 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [0,1,0,1,0,0|1,0,1]=4 9723 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [0,1,0,1,0,0|1,0,1]=4 9724 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [0,1,0,1,0,0|1,0,1]=4 9725 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [0,1,0,1,0,0|1,0,1]=4 9726 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [0,1,0,1,0,0|1,0,1]=4 9727 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [0,1,0,1,0,0|1,0,1]=4 9728 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [0,1,0,1,0,0|1,0,1]=4 9729 B10R1.57 CCOCSCC1CCC1 62a_100000739092_100000763275 [0,1,0,1,0,0|1,0,1]=4 9730 B10R1.57 CCOCSCC1CCC1 62a_100000763275_100000739092 [0,1,0,1,0,0|1,0,1]=4 9731 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [0,1,0,1,0,0|1,0,0]=3 9732 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [0,1,0,1,0,0|1,0,0]=3 9733 B10R1.57 O=CCCCNC1COC1 2230a_100016991112_200011292268 [0,1,0,1,0,0|2,0,0]=4 9734 B10R1.57 O=CCCCOC1CSC1 7a_100000072292_200011292268 [0,1,0,1,0,0|2,0,0]=4 9735 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [0,1,0,1,0,0|1,0,0]=3 9736 B10R1.57 O=CCCCSC1COC1 62a_200011292268_100009818527 [0,1,0,1,0,0|2,0,0]=4 9737 B10R1.57 O=CCOCCC1COC1 34a_100009855314_200009817547 [0,1,0,1,0,0|1,0,0]=3 9738 B10R1.132 COCC1CCN1CC=O 2230a_100015195929_200015260668 [0,1,0,1,0,0|2,0,0]=4 9739 B10R1.132 COCC1CCN1CC=O 269982a_100015195929_200015260668 [0,1,0,1,0,0|2,0,0]=4 9740 B10R1.132 COCC1CCN1CC=O 34a_100015195929_200009817547 [0,1,0,1,0,0|2,0,0]=4 9741 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|2,0,0]=4 9742 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|2,0,0]=4 9743 B10R1.1 CC1CCC(CC1)OCF 34a_100000210714_100015361967 [0,1,0,1,0,0|1,0,1]=4 9744 B10R1.1 CC1CCC(CC1)OCF 7a_100000210714_100015361967 [0,1,0,1,0,0|1,0,1]=4 9745 B10R1.1 CC1CCN(CC1)CC=O 2230a_100000188429_200015260668 [0,1,0,1,0,0|2,0,0]=4 9746 B10R1.1 CC1CCN(CC1)CC=O 269982a_100000188429_200015260668 [0,1,0,1,0,0|2,0,0]=4 9747 B10R1.1 CC1CCN(CC1)CC=O 34a_100000188429_200009817547 [0,1,0,1,0,0|2,0,0]=4 9748 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,1,0,1,0,0|1,0,1]=4 9749 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,1,0,1,0,0|1,0,1]=4 9750 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,1,0,1,0,0|1,0,1]=4 9751 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,1,0,1,0,0|1,0,1]=4 9752 B10R1.1 N[C@H]1CC[C@H](CC1)OCF 34a_100020628982_100015361967 [0,1,0,1,0,0|1,0,1]=4 9753 B10R1.1 O=CCN1CCC(CC1)F 2230a_100015193889_200015260668 [0,1,0,1,0,0|2,0,0]=4 9754 B10R1.1 O=CCN1CCC(CC1)F 269982a_100015193889_200015260668 [0,1,0,1,0,0|2,0,0]=4 9755 B10R1.1 O=CCN1CCC(CC1)F 34a_100015193889_200009817547 [0,1,0,1,0,0|2,0,0]=4 9756 B10R1.1 O=CCN1CCC(CC1)O 2230a_100025773856_200015260668 [0,1,0,1,0,0|2,0,0]=4 9757 B10R1.1 O=CCN1CCC(CC1)O 269982a_100025773856_200015260668 [0,1,0,1,0,0|2,0,0]=4 9758 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|2,0,0]=4 9759 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,1,0,0|2,0,0]=4 9760 B10R1.70 C=COCCNC1(CC1)C 2230a_100000757604_100000039644 [0,1,0,1,0,0|2,0,0]=4 9761 B10R1.70 C=COCCOC1(CC1)C 7a_100011725673_100000039644 [0,1,0,1,0,0|2,0,0]=4 9762 B10R1.70 CC1(CC1)NCCCC=O 2230a_100000757604_200011292268 [0,1,0,1,0,0|2,0,0]=4 9763 B10R1.70 CC1(CC1)OCCCC=O 7a_100011725673_200011292268 [0,1,0,1,0,0|2,0,0]=4 9764 B10R1.94 CCNC1CCN(C1=O)C 2230a_100015525214_100000755940 [0,1,0,1,0,0|2,0,0]=4 9765 B10R1.94 CCOC1CCN(C1=O)C 34a_100121572206_100000755940 [0,1,0,1,0,0|2,0,0]=4 9766 B10R1.94 CCSC1CCN(C1=O)C 62a_100000210202_100000755940 [0,1,0,1,0,0|2,0,0]=4 9767 B10R1.94 CCSC1CCN(C1=O)C 62a_100000755940_100000210202 [0,1,0,1,0,0|2,0,0]=4 9768 B10R1.94 CN1CCC(C1=O)CO[13CH3] 34a_100009823153_200025704644 [0,1,0,1,0,0|2,0,0]=4 9769 B10R1.94 COCC1CCN(C1=O)C 34a_100009823153_200000210301 [0,1,0,1,0,0|2,0,0]=4 9770 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|1,0,1]=4 9771 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|0,0,1]=3 9772 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [0,1,0,1,0,0|2,0,0]=4 9773 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [0,1,0,1,0,0|2,0,0]=4 9774 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,1,0,1,0,0|1,0,0]=3 9775 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,1,0,1,0,0|1,0,0]=3 9776 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [0,1,0,1,0,0|1,0,1]=4 9777 B10R1.463 CCC(C)OC1CCC1=O 7a_100000210228_100009892977 [0,1,0,1,0,0|2,0,0]=4 9778 B10R1.463 CCC(C)SC1CCC1=O 62a_100000758301_100009892977 [0,1,0,1,0,0|2,0,0]=4 9779 B10R1.463 CCC(C)SC1CCC1=O 62a_100009892977_100000758301 [0,1,0,1,0,0|2,0,0]=4 9780 B10R2.58 O=CCN1CC2CC2C1 2230a_100000741873_200015260668 [0,0,0,2,0,0|2,0,0]=4 9781 B10R2.58 O=CCN1CC2CC2C1 269982a_100000741873_200015260668 [0,0,0,2,0,0|2,0,0]=4 9782 B10R2.58 O=CCN1CC2CC2C1 34a_100000741873_200009817547 [0,0,0,2,0,0|2,0,0]=4 9783 B10R2.368 CCOC1CCC2C1C2 34a_200012295571_100000210202 [0,0,0,2,0,0|1,0,1]=4 9784 B10R2.368 FCOC1CCC2C1C2 34a_200012295571_100015361967 [0,0,0,2,0,0|1,0,1]=4 9785 B10R2.324 O=C1CCC1N2CCC2 269982a_100000754969_100009892977 [0,0,0,2,0,0|2,0,0]=4 9786 B10R2.27 O=C1CCC1NC2CC2 34a_100000212008_100009892977 [0,0,0,2,0,0|2,0,0]=4 9787 B10R2.27 O=C1CCC1SC2CC2 62a_100009892977_100000211595 [0,0,0,2,0,0|2,0,0]=4