0 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.4 C#CCCCCNCF 34a_100000706060_100015361967 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.4 C#CCCCCOCF 34a_100000766709_100015361967 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.4 C#CCCCCOCF 7a_100000766709_100015361967 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.4 C#CCCCCSCF 62a_100010269958_100015361967 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.4 C#CCCCCSCF 62a_100015361967_100010269958 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.4 C#CCCCNCC=C 2230a_100020586998_100000731252 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.4 C#CCCCNCC=C 34a_100000718082_100015514636 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [0,0,0,0,0,0|1,0,2]=3 28 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.4 C#CCCCNCCF 34a_100000718082_100011217306 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.4 C#CCCCNCCF 34a_100000724931_100000695029 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.4 C#CCCCNCSC 34a_100000718082_100011218213 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.4 C#CCCCOCC=C 34a_100000215630_100015514636 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.4 C#CCCCOCC=C 34a_200000210373_100000695029 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.4 C#CCCCOCC=C 7a_100000215630_100015514636 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [0,0,0,0,0,0|1,0,2]=3 39 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [0,0,0,0,0,0|1,0,2]=3 40 B8R0.4 C#CCCCOCCBr 34a_100000211926_100000695029 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [0,0,0,0,0,0|2,0,1]=3 44 B8R0.4 C#CCCCOCCF 34a_100000215630_100011217306 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.4 C#CCCCOCCF 7a_100000215630_100011217306 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.4 C#CCCCOCCN 34a_100000210304_100000695029 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.4 C#CCCCOCSC 34a_100000215630_100011218213 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.4 C#CCCCSCC=C 62a_100000210623_100011215417 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.4 C#CCCCSCC=C 62a_100011215417_100000210623 [0,0,0,0,0,0|2,0,2]=4 52 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [0,0,0,0,0,0|1,0,2]=3 53 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [0,0,0,0,0,0|1,0,2]=3 54 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,0,0,0,0,0|2,0,1]=3 55 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.4 C#CCCCSCCF 62a_100011215417_100011217306 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.4 C#CCCCSCCF 62a_100011217306_100011215417 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.4 C#CCCCSCOC 62a_100000766300_100011215417 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.4 C#CCCCSCOC 62a_100011215417_100000766300 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.4 C#CCCCSCSC 62a_100011215417_100011218213 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.4 C#CCCCSCSC 62a_100011218213_100011215417 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.4 C#CCCNCCC=C 2230a_100015191253_100000688953 [0,0,0,0,0,0|2,0,2]=4 65 B8R0.4 C#CCCNCCC=C 34a_100000755551_100000754431 [0,0,0,0,0,0|2,0,2]=4 66 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [0,0,0,0,0,0|2,0,1]=3 67 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [0,0,0,0,0,0|2,0,1]=3 68 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [0,0,0,0,0,0|2,0,1]=3 69 B8R0.4 C#CCCNCCCF 2230a_100015189416_100000688953 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.4 C#CCCNCCCF 34a_100000755551_100011934791 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.4 C#CCCNCCCF 34a_100015189416_100000688953 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.4 C#CCCNCCOC 2230a_100000209980_100000688953 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.4 C#CCCNCCOC 34a_100000755551_100011201679 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.4 C#CCCNCCSC 2230a_100020590264_100000688953 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.4 C#CCCNCCSC 34a_100000755551_100000212216 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.4 C#CCCOCCC=C 34a_100011205117_100000688953 [0,0,0,0,0,0|2,0,2]=4 78 B8R0.4 C#CCCOCCC=C 34a_100011215631_100000754431 [0,0,0,0,0,0|2,0,2]=4 79 B8R0.4 C#CCCOCCCBr 34a_100011217188_100000688953 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [0,0,0,0,0,0|2,0,1]=3 81 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [0,0,0,0,0,0|2,0,1]=3 82 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [0,0,0,0,0,0|2,0,1]=3 83 B8R0.4 C#CCCOCCCCl 34a_100000230001_100000688953 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.4 C#CCCOCCCF 34a_100000759539_100000688953 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.4 C#CCCOCCCF 34a_100011215631_100011934791 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.4 C#CCCOCCCN 34a_100000182051_100000688953 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.4 C#CCCOCCOC 34a_100000210237_100000688953 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.4 C#CCCOCCOC 34a_100011215631_100011201679 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.4 C#CCCOCCSC 34a_100000230434_100000688953 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.4 C#CCCOCCSC 34a_100011215631_100000212216 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.4 C#CCCOCCSC 7a_100000230434_100000688953 [0,0,0,0,0,0|3,0,1]=4 93 B8R0.4 C#CCCSCCC=C 62a_100000688953_100000754431 [0,0,0,0,0,0|2,0,2]=4 94 B8R0.4 C#CCCSCCC=C 62a_100000754431_100000688953 [0,0,0,0,0,0|2,0,2]=4 95 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [0,0,0,0,0,0|2,0,1]=3 96 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [0,0,0,0,0,0|2,0,1]=3 97 B8R0.4 C#CCCSCCCF 62a_100000688953_100011934791 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.4 C#CCCSCCCF 62a_100011934791_100000688953 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [0,0,0,0,0,0|3,0,1]=4 101 B8R0.4 C#CCCSCCOC 62a_100000233755_100000688953 [0,0,0,0,0,0|3,0,1]=4 102 B8R0.4 C#CCCSCCOC 62a_100000688953_100000233755 [0,0,0,0,0,0|3,0,1]=4 103 B8R0.4 C#CCCSCCSC 62a_100000212216_100000688953 [0,0,0,0,0,0|3,0,1]=4 104 B8R0.4 C#CCCSCCSC 62a_100000688953_100000751147 [0,0,0,0,0,0|3,0,1]=4 105 B8R0.4 C#CCCSCOCC 62a_100000688953_100000739092 [0,0,0,0,0,0|3,0,1]=4 106 B8R0.4 C#CCCSCOCC 62a_100000739092_100000688953 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.4 C#CCNCCCC=C 2230a_100000700776_100000038162 [0,0,0,0,0,0|2,0,2]=4 108 B8R0.4 C#CCNCCCC=C 34a_100000212058_100000757094 [0,0,0,0,0,0|2,0,2]=4 109 B8R0.4 C#CCNCCCC=C 34a_100000700776_100000184674 [0,0,0,0,0,0|2,0,2]=4 110 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [0,0,0,0,0,0|2,0,1]=3 111 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [0,0,0,0,0,0|2,0,1]=3 112 B8R0.4 C#CCNCCCCF 34a_100000212058_100000729493 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.4 C#CCNCCCCO 2230a_100000750430_100000038162 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.4 C#CCNCCCCO 34a_100000212058_100011216708 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.4 C#CCNCCCCO 34a_100000750430_100000184674 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.4 C#CCNCCCOC 34a_100000212058_100000740836 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.4 C#CCNCCCOC 34a_100150723488_100000184674 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.4 C#CCNCCCSC 2230a_100000749238_100000038162 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.4 C#CCNCCOCC 2230a_102516460346_100000038162 [0,0,0,0,0,0|3,0,1]=4 120 B8R0.4 C#CCNCCOCC 34a_100000212058_100000210147 [0,0,0,0,0,0|3,0,1]=4 121 B8R0.4 C#CCNCCOCC 34a_102516460346_100000184674 [0,0,0,0,0,0|3,0,1]=4 122 B8R0.4 C#CCNCCSCC 2230a_100000106463_100000038162 [0,0,0,0,0,0|3,0,1]=4 123 B8R0.4 C#CCNCCSCC 34a_100000212058_100000757381 [0,0,0,0,0,0|3,0,1]=4 124 B8R0.4 C#CCOCCCC=C 34a_100000210247_100000757094 [0,0,0,0,0,0|2,0,2]=4 125 B8R0.4 C#CCOCCCC=C 34a_100000758997_100000184674 [0,0,0,0,0,0|2,0,2]=4 126 B8R0.4 C#CCOCCCC=C 7a_100000758997_100000038162 [0,0,0,0,0,0|2,0,2]=4 127 B8R0.4 C#CCOCCCCBr 34a_100011216708_100000184674 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [0,0,0,0,0,0|2,0,1]=3 129 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [0,0,0,0,0,0|2,0,1]=3 130 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [0,0,0,0,0,0|2,0,1]=3 131 B8R0.4 C#CCOCCCCCl 34a_100000210776_100000184674 [0,0,0,0,0,0|3,0,1]=4 132 B8R0.4 C#CCOCCCCCl 7a_100000210776_100000038162 [0,0,0,0,0,0|3,0,1]=4 133 B8R0.4 C#CCOCCCCF 34a_100000210247_100000729493 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.4 C#CCOCCCCF 34a_100011995726_100000184674 [0,0,0,0,0,0|3,0,1]=4 135 B8R0.4 C#CCOCCCCF 7a_100011995726_100000038162 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.4 C#CCOCCCCI 34a_200012148704_100000184674 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.4 C#CCOCCCCN 34a_100000750430_100000184674 [0,0,0,0,0,0|3,0,1]=4 138 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [0,0,0,0,0,0|3,0,1]=4 139 B8R0.4 C#CCOCCCNC 34a_100000213112_100000184674 [0,0,0,0,0,0|3,0,1]=4 140 B8R0.4 C#CCOCCCOC 34a_100000210247_100000740836 [0,0,0,0,0,0|3,0,1]=4 141 B8R0.4 C#CCOCCCOC 34a_100000740835_100000184674 [0,0,0,0,0,0|3,0,1]=4 142 B8R0.4 C#CCOCCCSC 34a_100000690336_100000184674 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.4 C#CCOCCCSC 7a_100000690336_100000038162 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.4 C#CCOCCNCC 2230a_100000700922_100000210202 [0,0,0,0,0,0|3,0,1]=4 145 B8R0.4 C#CCOCCNCC 2230a_100015525214_100010402529 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.4 C#CCOCCNCC 34a_100000700922_100000210202 [0,0,0,0,0,0|3,0,1]=4 147 B8R0.4 C#CCOCCOCC 34a_100000054580_100000210202 [0,0,0,0,0,0|3,0,1]=4 148 B8R0.4 C#CCOCCOCC 34a_100000210136_100000184674 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.4 C#CCOCCOCC 34a_100000210247_100000210147 [0,0,0,0,0,0|3,0,1]=4 150 B8R0.4 C#CCOCCOCC 34a_100121572206_100010402529 [0,0,0,0,0,0|3,0,1]=4 151 B8R0.4 C#CCOCCOCC 7a_100000054580_100000210202 [0,0,0,0,0,0|3,0,1]=4 152 B8R0.4 C#CCOCCOCC 7a_100000210136_100000038162 [0,0,0,0,0,0|3,0,1]=4 153 B8R0.4 C#CCOCCSCC 34a_100000210247_100000757381 [0,0,0,0,0,0|3,0,1]=4 154 B8R0.4 C#CCOCCSCC 34a_100000212035_100000184674 [0,0,0,0,0,0|3,0,1]=4 155 B8R0.4 C#CCOCCSCC 62a_100000210202_100010402529 [0,0,0,0,0,0|3,0,1]=4 156 B8R0.4 C#CCOCCSCC 62a_100010402529_100000210202 [0,0,0,0,0,0|3,0,1]=4 157 B8R0.4 C#CCOCCSCC 7a_100000212035_100000038162 [0,0,0,0,0,0|3,0,1]=4 158 B8R0.4 C#CCSCCCC=C 62a_100000038162_100000757094 [0,0,0,0,0,0|2,0,2]=4 159 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [0,0,0,0,0,0|1,0,2]=3 160 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [0,0,0,0,0,0|2,0,1]=3 161 B8R0.4 C#CCSCCCCF 62a_100000038162_100000729493 [0,0,0,0,0,0|3,0,1]=4 162 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [0,0,0,0,0,0|3,0,1]=4 163 B8R0.4 C#CCSCCCOC 62a_100000038162_100000709357 [0,0,0,0,0,0|3,0,1]=4 164 B8R0.4 C#CCSCCOCC 62a_100000038162_100011215890 [0,0,0,0,0,0|3,0,1]=4 165 B8R0.4 C#CCSCCSCC 62a_100000038162_100000757381 [0,0,0,0,0,0|3,0,1]=4 166 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [0,0,0,0,0,0|1,0,2]=3 167 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,0,0,0,0,0|2,0,1]=3 168 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [0,0,0,0,0,0|3,0,1]=4 169 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [0,0,0,0,0,0|3,0,1]=4 170 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [0,0,0,0,0,0|3,0,1]=4 171 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,0,0,0,0,0|2,0,1]=3 172 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [0,0,0,0,0,0|3,0,1]=4 173 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,0,0,0,0,0|2,0,1]=3 175 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,0,0,0,0,0|2,0,1]=3 176 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,0,0,0,0,0|2,0,1]=3 177 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [0,0,0,0,0,0|3,0,1]=4 178 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [0,0,0,0,0,0|3,0,1]=4 180 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [0,0,0,0,0,0|3,0,1]=4 181 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [0,0,0,0,0,0|3,0,1]=4 182 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [0,0,0,0,0,0|3,0,1]=4 183 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [0,0,0,0,0,0|3,0,1]=4 184 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [0,0,0,0,0,0|3,0,1]=4 185 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [0,0,0,0,0,0|3,0,1]=4 186 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [0,0,0,0,0,0|3,0,1]=4 187 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,0,0,0,0,0|2,0,1]=3 188 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,0,0,0,0,0|2,0,1]=3 189 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [0,0,0,0,0,0|3,0,1]=4 190 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [0,0,0,0,0,0|3,0,1]=4 191 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,0,0,0,0,0|3,0,1]=4 192 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,0,0,0,0,0|3,0,1]=4 193 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [0,0,0,0,0,0|3,0,1]=4 194 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [0,0,0,0,0,0|3,0,1]=4 195 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [0,0,0,0,0,0|3,0,1]=4 196 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [0,0,0,0,0,0|3,0,1]=4 197 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [0,0,0,0,0,0|3,0,1]=4 198 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [0,0,0,0,0,0|3,0,1]=4 199 B8R0.4 C=CCCC=NNCC 4a_100000756455_100011216789 [0,0,0,0,0,0|3,0,1]=4 200 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,0,0,0,0,0|2,0,0]=2 201 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,0,0,0,0,0|2,0,0]=2 202 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,0,0,0,0,0|2,0,0]=2 203 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,0,0,0,0,0|2,0,0]=2 204 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,0,0,0,0,0|2,0,0]=2 205 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,0,0,0,0,0|2,0,0]=2 206 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,0,0,0,0,0|2,0,0]=2 207 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,0,0,0,0,0|2,0,0]=2 208 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,0,0,0,0,0|2,0,0]=2 209 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,0,0,0,0,0|2,0,0]=2 210 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,0,0,0,0,0|2,0,0]=2 211 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,0,0,0,0,0|2,0,0]=2 212 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,0,0,0,0,0|2,0,0]=2 213 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,0,0,0,0,0|2,0,0]=2 214 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,0,0,0,0,0|2,0,0]=2 215 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [0,0,0,0,0,0|3,0,0]=3 216 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,0,0,0,0,0|2,0,0]=2 217 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,0,0,0,0,0|2,0,0]=2 218 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,0,0,0,0,0|2,0,0]=2 219 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [0,0,0,0,0,0|3,0,0]=3 220 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [0,0,0,0,0,0|3,0,0]=3 221 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,0,0,0,0,0|2,0,0]=2 222 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,0,0,0,0,0|2,0,0]=2 223 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [0,0,0,0,0,0|3,0,0]=3 224 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [0,0,0,0,0,0|3,0,0]=3 225 B8R0.4 C=CCCCNCC#N 2230a_100000700776_100011215382 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.4 C=CCCCNCC=C 2230a_100000700776_100000210623 [0,0,0,0,0,0|2,0,2]=4 227 B8R0.4 C=CCCCNCC=C 2230a_100020586998_100011713584 [0,0,0,0,0,0|2,0,2]=4 228 B8R0.4 C=CCCCNCC=C 34a_100000700776_100015514636 [0,0,0,0,0,0|2,0,2]=4 229 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [0,0,0,0,0,0|1,0,2]=3 230 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [0,0,0,0,0,0|1,0,2]=3 231 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,0,0,0,0,0|2,0,0]=2 232 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,0,0,0,0,0|2,0,0]=2 233 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [0,0,0,0,0,0|3,0,0]=3 234 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [0,0,0,0,0,0|3,0,0]=3 235 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [0,0,0,0,0,0|3,0,0]=3 236 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,0,0,0,0,0|3,0,0]=3 237 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,0,0,0,0,0|3,0,0]=3 238 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,0,0,0,0,0|3,0,0]=3 239 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,0,0,0,0,0|3,0,0]=3 240 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [0,0,0,0,0,0|3,0,0]=3 241 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [0,0,0,0,0,0|3,0,0]=3 242 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [0,0,0,0,0,0|3,0,0]=3 243 B8R0.4 C=CCCCOCC#N 7a_100000758997_100011215382 [0,0,0,0,0,0|3,0,1]=4 244 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [0,0,0,0,0,0|2,0,2]=4 245 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [0,0,0,0,0,0|2,0,2]=4 246 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [0,0,0,0,0,0|2,0,2]=4 247 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [0,0,0,0,0,0|1,0,2]=3 248 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [0,0,0,0,0,0|1,0,2]=3 249 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [0,0,0,0,0,0|3,0,0]=3 250 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,0,0,0,0,0|2,0,0]=2 251 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,0,0,0,0,0|2,0,0]=2 252 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,0,0,0,0,0|2,0,0]=2 253 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [0,0,0,0,0,0|3,0,0]=3 254 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [0,0,0,0,0,0|3,0,0]=3 255 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [0,0,0,0,0,0|3,0,0]=3 256 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,0,0,0,0,0|3,0,0]=3 257 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,0,0,0,0,0|3,0,0]=3 258 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [0,0,0,0,0,0|3,0,0]=3 259 B8R0.4 C=CCCCSCC#N 62a_100011215382_100000757094 [0,0,0,0,0,0|3,0,1]=4 260 B8R0.4 C=CCCCSCC#N 62a_100011713584_100011215382 [0,0,0,0,0,0|3,0,1]=4 261 B8R0.4 C=CCCCSCC=C 62a_100000210623_100000757094 [0,0,0,0,0,0|2,0,2]=4 262 B8R0.4 C=CCCCSCC=C 62a_100011713584_100000210623 [0,0,0,0,0,0|2,0,2]=4 263 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [0,0,0,0,0,0|1,0,2]=3 264 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [0,0,0,0,0,0|1,0,2]=3 265 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,0,0,0,0,0|2,0,0]=2 266 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,0,0,0,0,0|2,0,0]=2 267 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,0,0,0,0,0|3,0,0]=3 268 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,0,0,0,0,0|3,0,0]=3 270 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,0,0,0,0,0|3,0,0]=3 271 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,0,0,0,0,0|3,0,0]=3 272 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,0,0,0,0,0|3,0,0]=3 273 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,0,0,0,0,0|3,0,0]=3 274 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,0,0,0,0,0|3,0,0]=3 275 B8R0.4 C=CCCNCC#CC 2230a_100000685387_100000754431 [0,0,0,0,0,0|2,0,2]=4 276 B8R0.4 C=CCCNCC#CC 2230a_100015191253_100000748600 [0,0,0,0,0,0|2,0,2]=4 277 B8R0.4 C=CCCNCC#CC 34a_100000685387_100000754431 [0,0,0,0,0,0|2,0,2]=4 278 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [0,0,0,0,0,0|2,0,2]=4 279 B8R0.4 C=CCCNCCC#N 2230a_100015191253_100011215226 [0,0,0,0,0,0|3,0,1]=4 280 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [0,0,0,0,0,0|2,0,2]=4 281 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,0,0,0,0,0|2,0,0]=2 282 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,0,0,0,0,0|2,0,0]=2 283 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,0,0,0,0,0|2,0,0]=2 284 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [0,0,0,0,0,0|3,0,0]=3 285 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [0,0,0,0,0,0|3,0,0]=3 286 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [0,0,0,0,0,0|3,0,0]=3 287 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,0,0,0,0,0|3,0,0]=3 288 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [0,0,0,0,0,0|3,0,0]=3 289 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [0,0,0,0,0,0|3,0,0]=3 290 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,0,0,0,0,0|3,0,0]=3 291 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,0,0,0,0,0|3,0,0]=3 292 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [0,0,0,0,0,0|2,0,2]=4 293 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [0,0,0,0,0,0|2,0,2]=4 294 B8R0.4 C=CCCOCC#CC 34a_100000761923_100000754431 [0,0,0,0,0,0|2,0,2]=4 295 B8R0.4 C=CCCOCC#CC 34a_100011205117_100000748600 [0,0,0,0,0,0|2,0,2]=4 296 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [0,0,0,0,0,0|2,0,2]=4 297 B8R0.4 C=CCCOCCC=C 34a_100011205117_100000754431 [0,0,0,0,0,0|2,0,2]=4 298 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [0,0,0,0,0,0|3,0,0]=3 299 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,0,0,0,0,0|2,0,0]=2 300 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,0,0,0,0,0|2,0,0]=2 301 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,0,0,0,0,0|2,0,0]=2 302 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [0,0,0,0,0,0|3,0,0]=3 303 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [0,0,0,0,0,0|3,0,0]=3 304 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [0,0,0,0,0,0|3,0,0]=3 305 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [0,0,0,0,0,0|3,0,0]=3 306 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,0,0,0,0,0|3,0,0]=3 307 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [0,0,0,0,0,0|3,0,0]=3 308 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [0,0,0,0,0,0|3,0,0]=3 309 B8R0.4 C=CCCOCCON 34a_100000700252_100000754431 [0,0,0,0,0,0|4,0,0]=4 310 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,0,0,0,0,0|3,0,0]=3 311 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,0,0,0,0,0|3,0,0]=3 312 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,0,0,0,0,0|3,0,0]=3 313 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [0,0,0,0,0,0|2,0,2]=4 314 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [0,0,0,0,0,0|2,0,2]=4 315 B8R0.4 C=CCCSCC#CC 62a_100000748600_100000754431 [0,0,0,0,0,0|2,0,2]=4 316 B8R0.4 C=CCCSCC#CC 62a_100000754431_100000748600 [0,0,0,0,0,0|2,0,2]=4 317 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [0,0,0,0,0,0|2,0,2]=4 318 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [0,0,0,0,0,0|2,0,2]=4 319 B8R0.4 C=CCCSCCC#N 62a_100000754431_100011215226 [0,0,0,0,0,0|3,0,1]=4 320 B8R0.4 C=CCCSCCC#N 62a_100011215226_100000754431 [0,0,0,0,0,0|3,0,1]=4 321 B8R0.4 C=CCCSCCC=C 62a_100000754431_100000754431 [0,0,0,0,0,0|2,0,2]=4 322 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,0,0,0,0,0|2,0,0]=2 323 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,0,0,0,0,0|2,0,0]=2 324 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,0,0,0,0,0|3,0,0]=3 325 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,0,0,0,0,0|3,0,0]=3 326 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,0,0,0,0,0|3,0,0]=3 327 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,0,0,0,0,0|3,0,0]=3 328 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,0,0,0,0,0|3,0,0]=3 329 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,0,0,0,0,0|3,0,0]=3 330 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,0,0,0,0,0|3,0,0]=3 331 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,0,0,0,0,0|3,0,0]=3 332 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [0,0,0,0,0,0|3,0,0]=3 333 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [0,0,0,0,0,0|3,0,0]=3 334 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [0,0,0,0,0,0|2,0,2]=4 335 B8R0.4 C=CCNCC#CCC 2230a_100020586998_100009813939 [0,0,0,0,0,0|2,0,2]=4 336 B8R0.4 C=CCNCCCC#N 2230a_100020586998_100000687738 [0,0,0,0,0,0|3,0,1]=4 337 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [0,0,0,0,0,0|1,0,2]=3 338 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,0,0,0,0,0|2,0,0]=2 339 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,0,0,0,0,0|2,0,0]=2 340 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [0,0,0,0,0,0|3,0,0]=3 341 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [0,0,0,0,0,0|3,0,0]=3 342 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [0,0,0,0,0,0|3,0,0]=3 343 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [0,0,0,0,0,0|3,0,0]=3 344 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [0,0,0,0,0,0|3,0,0]=3 345 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [0,0,0,0,0,0|3,0,0]=3 346 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,0,0,0,0,0|3,0,0]=3 347 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [0,0,0,0,0,0|3,0,0]=3 348 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [0,0,0,0,0,0|3,0,0]=3 349 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [0,0,0,0,0,0|3,0,0]=3 350 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [0,0,0,0,0,0|3,0,0]=3 351 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [0,0,0,0,0,0|3,0,0]=3 352 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [0,0,0,0,0,0|2,0,2]=4 353 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [0,0,0,0,0,0|2,0,2]=4 354 B8R0.4 C=CCOCC#CCC 34a_100000032950_100015514636 [0,0,0,0,0,0|2,0,2]=4 355 B8R0.4 C=CCOCC#CCC 34a_200000210373_100009813939 [0,0,0,0,0,0|2,0,2]=4 356 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [0,0,0,0,0,0|2,0,2]=4 357 B8R0.4 C=CCOCCC#CC 34a_100000750427_100015514636 [0,0,0,0,0,0|2,0,2]=4 358 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [0,0,0,0,0,0|3,0,0]=3 359 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,0,0,0,0,0|2,0,0]=2 360 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,0,0,0,0,0|2,0,0]=2 361 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,0,0,0,0,0|2,0,0]=2 362 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [0,0,0,0,0,0|3,0,0]=3 363 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [0,0,0,0,0,0|3,0,0]=3 364 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [0,0,0,0,0,0|3,0,0]=3 365 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [0,0,0,0,0,0|3,0,0]=3 366 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [0,0,0,0,0,0|3,0,0]=3 367 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [0,0,0,0,0,0|3,0,0]=3 368 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [0,0,0,0,0,0|3,0,0]=3 369 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,0,0,0,0,0|3,0,0]=3 370 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [0,0,0,0,0,0|3,0,0]=3 371 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [0,0,0,0,0,0|3,0,0]=3 372 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [0,0,0,0,0,0|3,0,0]=3 373 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,0,0,0,0,0|3,0,0]=3 374 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,0,0,0,0,0|3,0,0]=3 375 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [0,0,0,0,0,0|3,0,0]=3 376 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [0,0,0,0,0,0|3,0,0]=3 377 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [0,0,0,0,0,0|3,0,0]=3 378 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [0,0,0,0,0,0|3,0,0]=3 379 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [0,0,0,0,0,0|3,0,0]=3 380 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [0,0,0,0,0,0|4,0,0]=4 381 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [0,0,0,0,0,0|4,0,0]=4 382 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [0,0,0,0,0,0|3,0,0]=3 383 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [0,0,0,0,0,0|3,0,0]=3 384 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [0,0,0,0,0,0|3,0,0]=3 385 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [0,0,0,0,0,0|2,0,2]=4 386 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [0,0,0,0,0,0|2,0,2]=4 387 B8R0.4 C=CCSCC#CCC 62a_100000210623_100009813939 [0,0,0,0,0,0|2,0,2]=4 388 B8R0.4 C=CCSCC#CCC 62a_100009813939_100000210623 [0,0,0,0,0,0|2,0,2]=4 389 B8R0.4 C=CCSCCCC#N 62a_100000210623_100000687738 [0,0,0,0,0,0|3,0,1]=4 390 B8R0.4 C=CCSCCCC#N 62a_100000687738_100000210623 [0,0,0,0,0,0|3,0,1]=4 391 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [0,0,0,0,0,0|1,0,2]=3 392 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [0,0,0,0,0,0|1,0,2]=3 393 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,0,0,0,0,0|2,0,0]=2 394 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,0,0,0,0,0|2,0,0]=2 395 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,0,0,0,0,0|3,0,0]=3 396 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,0,0,0,0,0|3,0,0]=3 397 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,0,0,0,0,0|3,0,0]=3 398 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,0,0,0,0,0|3,0,0]=3 399 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,0,0,0,0,0|3,0,0]=3 400 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,0,0,0,0,0|3,0,0]=3 401 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [0,0,0,0,0,0|3,0,0]=3 402 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [0,0,0,0,0,0|3,0,0]=3 403 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [0,0,0,0,0,0|3,0,0]=3 404 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [0,0,0,0,0,0|3,0,0]=3 405 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,0,0,0,0,0|3,0,0]=3 406 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,0,0,0,0,0|3,0,0]=3 407 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,0,0,0,0,0|3,0,0]=3 408 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,0,0,0,0,0|3,0,0]=3 409 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,0,0,0,0,0|3,0,0]=3 410 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,0,0,0,0,0|3,0,0]=3 411 B8R0.4 C=COCCCNCF 34a_100000210767_100015361967 [0,0,0,0,0,0|4,0,0]=4 412 B8R0.4 C=COCCNCCF 34a_100000724931_100000039644 [0,0,0,0,0,0|4,0,0]=4 413 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [0,0,0,0,0,0|4,0,0]=4 414 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [0,0,0,0,0,0|4,0,0]=4 415 B8R0.4 C=COCCOCC=O 34a_100000033082_200009817547 [0,0,0,0,0,0|2,0,2]=4 416 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [0,0,0,0,0,0|4,0,0]=4 417 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,0,0,0,0,0|3,0,0]=3 418 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,0,0,0,0,0|3,0,0]=3 419 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [0,0,0,0,0,0|4,0,0]=4 420 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [0,0,0,0,0,0|4,0,0]=4 421 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [0,0,0,0,0,0|4,0,0]=4 422 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [0,0,0,0,0,0|4,0,0]=4 423 B8R0.4 C=COCCSCC=O 62a_100000039644_200015260668 [0,0,0,0,0,0|2,0,2]=4 424 B8R0.4 C=COCCSCC=O 62a_200015260668_100000039644 [0,0,0,0,0,0|2,0,2]=4 425 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,0,0,0,0,0|3,0,0]=3 426 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,0,0,0,0,0|3,0,0]=3 427 B8R0.4 C=COCCSCCF 62a_100000039644_100011217306 [0,0,0,0,0,0|4,0,0]=4 428 B8R0.4 C=COCCSCCF 62a_100011217306_100000039644 [0,0,0,0,0,0|4,0,0]=4 429 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [0,0,0,0,0,0|4,0,0]=4 430 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [0,0,0,0,0,0|4,0,0]=4 431 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [0,0,0,0,0,0|4,0,0]=4 432 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [0,0,0,0,0,0|4,0,0]=4 433 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [0,0,0,0,0,0|4,0,0]=4 434 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [0,0,0,0,0,0|4,0,0]=4 435 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [0,0,0,0,0,0|1,0,2]=3 436 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [0,0,0,0,0,0|2,0,2]=4 437 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [0,0,0,0,0,0|2,0,2]=4 438 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [0,0,0,0,0,0|2,0,2]=4 439 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [0,0,0,0,0,0|2,0,2]=4 440 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [0,0,0,0,0,0|2,0,2]=4 441 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [0,0,0,0,0,0|2,0,2]=4 442 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [0,0,0,0,0,0|2,0,2]=4 443 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [0,0,0,0,0,0|2,0,2]=4 444 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [0,0,0,0,0,0|2,0,2]=4 445 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [0,0,0,0,0,0|2,0,2]=4 446 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [0,0,0,0,0,0|2,0,2]=4 447 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [0,0,0,0,0,0|2,0,2]=4 448 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [0,0,0,0,0,0|2,0,2]=4 449 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [0,0,0,0,0,0|2,0,2]=4 450 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [0,0,0,0,0,0|1,0,2]=3 451 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [0,0,0,0,0,0|1,0,2]=3 452 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [0,0,0,0,0,0|1,0,2]=3 453 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [0,0,0,0,0,0|2,0,2]=4 454 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,0,0,0,0,0|2,0,1]=3 455 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [0,0,0,0,0,0|3,0,1]=4 456 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,0,0,0,0,0|2,0,1]=3 457 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,0,0,0,0,0|2,0,1]=3 458 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [0,0,0,0,0,0|3,0,1]=4 459 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [0,0,0,0,0,0|3,0,1]=4 460 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [0,0,0,0,0,0|3,0,1]=4 461 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [0,0,0,0,0,0|3,0,1]=4 462 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [0,0,0,0,0,0|3,0,1]=4 463 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,0,0,0,0,0|2,0,1]=3 464 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,0,0,0,0,0|2,0,1]=3 465 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [0,0,0,0,0,0|3,0,1]=4 466 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [0,0,0,0,0,0|3,0,1]=4 467 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [0,0,0,0,0,0|3,0,1]=4 468 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [0,0,0,0,0,0|3,0,1]=4 469 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [0,0,0,0,0,0|3,0,1]=4 470 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [0,0,0,0,0,0|3,0,1]=4 471 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,0,0,0,0,0|2,0,1]=3 472 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,0,0,0,0,0|2,0,1]=3 473 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [0,0,0,0,0,0|3,0,1]=4 474 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [0,0,0,0,0,0|3,0,1]=4 475 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,0,0,0,0,0|3,0,1]=4 476 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,0,0,0,0,0|3,0,1]=4 477 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [0,0,0,0,0,0|3,0,1]=4 478 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [0,0,0,0,0,0|3,0,1]=4 479 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [0,0,0,0,0,0|3,0,1]=4 480 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [0,0,0,0,0,0|3,0,1]=4 481 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [0,0,0,0,0,0|3,0,1]=4 482 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [0,0,0,0,0,0|3,0,1]=4 483 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,0,0,0,0,0|3,0,0]=3 484 B8R0.4 CC=NNCCOCC 4a_100000732670_200000210099 [0,0,0,0,0,0|4,0,0]=4 485 B8R0.4 CCC#CCOCC=O 34a_100000032950_200009817547 [0,0,0,0,0,0|1,0,2]=3 486 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [0,0,0,0,0,0|1,0,2]=3 487 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [0,0,0,0,0,0|1,0,2]=3 488 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [0,0,0,0,0,0|2,0,2]=4 489 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [0,0,0,0,0,0|2,0,2]=4 490 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [0,0,0,0,0,0|2,0,2]=4 491 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [0,0,0,0,0,0|2,0,2]=4 492 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [0,0,0,0,0,0|2,0,2]=4 493 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [0,0,0,0,0,0|2,0,2]=4 494 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [0,0,0,0,0,0|2,0,2]=4 495 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [0,0,0,0,0,0|2,0,2]=4 496 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [0,0,0,0,0,0|2,0,2]=4 497 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [0,0,0,0,0,0|2,0,2]=4 498 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [0,0,0,0,0,0|2,0,2]=4 499 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [0,0,0,0,0,0|2,0,2]=4 500 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,0,0,0,0,0|2,0,0]=2 501 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,0,0,0,0,0|2,0,0]=2 502 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,0,0,0,0,0|2,0,0]=2 503 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,0,0,0,0,0|2,0,0]=2 504 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,0,0,0,0,0|2,0,0]=2 505 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,0,0,0,0,0|2,0,0]=2 506 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,0,0,0,0,0|2,0,0]=2 507 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,0,0,0,0,0|2,0,0]=2 508 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,0,0,0,0,0|2,0,0]=2 509 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,0,0,0,0,0|2,0,0]=2 510 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,0,0,0,0,0|2,0,0]=2 511 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,0,0,0,0,0|2,0,0]=2 512 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,0,0,0,0,0|2,0,0]=2 513 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,0,0,0,0,0|2,0,0]=2 514 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,0,0,0,0,0|2,0,1]=3 515 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,0,0,0,0,0|2,0,1]=3 516 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,0,0,0,0,0|2,0,1]=3 517 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,0,0,0,0,0|2,0,1]=3 518 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,0,0,0,0,0|2,0,1]=3 519 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,0,0,0,0,0|2,0,1]=3 520 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,0,0,0,0,0|2,0,1]=3 521 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,0,0,0,0,0|2,0,1]=3 522 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,0,0,0,0,0|2,0,1]=3 523 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,0,0,0,0,0|2,0,1]=3 524 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,0,0,0,0,0|2,0,1]=3 525 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [0,0,0,0,0,0|2,0,1]=3 526 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,0,0,0,0,0|1,0,0]=1 527 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,0,0,0,0,0|2,0,1]=3 528 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,0,0,0,0,0|2,0,1]=3 529 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,0,0,0,0,0|2,0,1]=3 530 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,0,0,0,0,0|1,0,2]=3 531 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,0,0,0,0,0|1,0,2]=3 532 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,0,0,0,0,0|1,0,2]=3 533 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,0,0,0,0,0|3,0,0]=3 534 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,0,0,0,0,0|3,0,0]=3 535 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [0,0,0,0,0,0|2,0,1]=3 536 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,0,0,0,0,0|1,0,0]=1 537 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,0,0,0,0,0|1,0,0]=1 538 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [0,0,0,0,0,0|2,0,1]=3 539 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [0,0,0,0,0,0|2,0,1]=3 540 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [0,0,0,0,0,0|2,0,1]=3 541 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [0,0,0,0,0,0|2,0,1]=3 542 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [0,0,0,0,0,0|2,0,1]=3 543 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [0,0,0,0,0,0|2,0,1]=3 544 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [0,0,0,0,0,0|2,0,1]=3 545 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [0,0,0,0,0,0|1,0,2]=3 546 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [0,0,0,0,0,0|1,0,2]=3 547 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,0,0,0,0,0|3,0,0]=3 548 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [0,0,0,0,0,0|2,0,1]=3 549 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [0,0,0,0,0,0|2,0,1]=3 550 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,0,0,0,0,0|1,0,0]=1 551 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,0,0,0,0,0|1,0,0]=1 552 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,0,0,0,0,0|2,0,1]=3 553 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,0,0,0,0,0|2,0,1]=3 554 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,0,0,0,0,0|2,0,1]=3 555 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,0,0,0,0,0|2,0,1]=3 556 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,0,0,0,0,0|1,0,2]=3 557 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,0,0,0,0,0|1,0,2]=3 558 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,0,0,0,0,0|3,0,0]=3 559 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,0,0,0,0,0|3,0,0]=3 560 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,0,0,0,0,0|3,0,0]=3 561 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,0,0,0,0,0|3,0,0]=3 562 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [0,0,0,0,0,0|2,0,1]=3 563 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [0,0,0,0,0,0|2,0,1]=3 564 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,0,0,0,0,0|2,0,1]=3 565 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,0,0,0,0,0|2,0,1]=3 566 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,0,0,0,0,0|2,0,1]=3 567 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,0,0,0,0,0|2,0,1]=3 568 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,0,0,0,0,0|2,0,1]=3 569 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,0,0,0,0,0|2,0,1]=3 570 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,0,0,0,0,0|1,0,2]=3 571 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,0,0,0,0,0|1,0,2]=3 572 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,0,0,0,0,0|3,0,0]=3 573 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,0,0,0,0,0|3,0,0]=3 574 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,0,0,0,0,0|3,0,0]=3 575 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,0,0,0,0,0|3,0,0]=3 576 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,0,0,0,0,0|3,0,0]=3 577 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,0,0,0,0,0|3,0,0]=3 578 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [0,0,0,0,0,0|2,0,1]=3 579 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [0,0,0,0,0,0|2,0,1]=3 580 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [0,0,0,0,0,0|2,0,1]=3 581 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [0,0,0,0,0,0|2,0,1]=3 582 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [0,0,0,0,0,0|2,0,1]=3 583 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [0,0,0,0,0,0|2,0,1]=3 584 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [0,0,0,0,0,0|2,0,1]=3 585 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [0,0,0,0,0,0|2,0,1]=3 586 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [0,0,0,0,0,0|2,0,1]=3 587 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,0,0,0,0,0|1,0,2]=3 588 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,0,0,0,0,0|1,0,2]=3 589 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [0,0,0,0,0,0|3,0,0]=3 590 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [0,0,0,0,0,0|3,0,0]=3 591 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [0,0,0,0,0,0|3,0,0]=3 592 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [0,0,0,0,0,0|3,0,0]=3 593 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [0,0,0,0,0,0|3,0,0]=3 594 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [0,0,0,0,0,0|3,0,0]=3 595 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [0,0,0,0,0,0|3,0,0]=3 596 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [0,0,0,0,0,0|3,0,0]=3 597 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [0,0,0,0,0,0|3,0,0]=3 598 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [0,0,0,0,0,0|3,0,0]=3 599 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [0,0,0,0,0,0|3,0,0]=3 600 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [0,0,0,0,0,0|3,0,0]=3 601 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,0,0,0,0,0|3,0,0]=3 602 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,0,0,0,0,0|3,0,0]=3 603 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,0,0,0,0,0|3,0,0]=3 604 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,0,0,0,0,0|3,0,0]=3 605 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,0,0,0,0,0|3,0,0]=3 606 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,0,0,0,0,0|3,0,0]=3 607 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,0,0,0,0,0|3,0,0]=3 608 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,0,0,0,0,0|3,0,0]=3 609 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,0,0,0,0,0|3,0,1]=4 610 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [0,0,0,0,0,0|3,0,1]=4 611 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,0,0,0,0,0|3,0,1]=4 612 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,0,0,0,0,0|3,0,1]=4 613 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [0,0,0,0,0,0|3,0,1]=4 614 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [0,0,0,0,0,0|3,0,1]=4 615 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [0,0,0,0,0,0|2,0,1]=3 616 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [0,0,0,0,0,0|2,0,1]=3 617 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,0,0,0,0,0|2,0,1]=3 618 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,0,0,0,0,0|2,0,1]=3 619 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,0,0,0,0,0|2,0,1]=3 620 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,0,0,0,0,0|1,0,2]=3 621 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,0,0,0,0,0|1,0,2]=3 622 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,0,0,0,0,0|3,0,0]=3 623 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,0,0,0,0,0|3,0,0]=3 624 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,0,0,0,0,0|3,0,0]=3 625 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,0,0,0,0,0|3,0,0]=3 626 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,0,0,0,0,0|3,0,0]=3 627 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,0,0,0,0,0|3,0,0]=3 628 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,0,0,0,0,0|3,0,0]=3 629 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,0,0,0,0,0|3,0,0]=3 630 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,0,0,0,0,0|3,0,0]=3 631 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,0,0,0,0,0|3,0,0]=3 632 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,0,0,0,0,0|3,0,1]=4 633 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,0,0,0,0,0|3,0,1]=4 634 B8R0.4 CCCCSCSC#N 62a_100000210211_100000211825 [0,0,0,0,0,0|3,0,1]=4 635 B8R0.4 CCCCSCSC#N 62a_100000211825_100000210210 [0,0,0,0,0,0|3,0,1]=4 636 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,0,0,0,0,0|1,0,2]=3 637 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,0,0,0,0,0|1,0,2]=3 638 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,0,0,0,0,0|3,0,0]=3 639 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,0,0,0,0,0|3,0,0]=3 640 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,0,0,0,0,0|3,0,1]=4 641 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,0,0,0,0,0|3,0,1]=4 642 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,0,0,0,0,0|3,0,1]=4 643 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [0,0,0,0,0,0|2,0,1]=3 644 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [0,0,0,0,0,0|2,0,1]=3 645 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [0,0,0,0,0,0|2,0,1]=3 646 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [0,0,0,0,0,0|2,0,1]=3 647 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [0,0,0,0,0,0|2,0,1]=3 648 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [0,0,0,0,0,0|2,0,1]=3 649 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [0,0,0,0,0,0|2,0,1]=3 650 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [0,0,0,0,0,0|2,0,1]=3 651 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [0,0,0,0,0,0|1,0,2]=3 652 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [0,0,0,0,0,0|3,0,0]=3 653 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [0,0,0,0,0,0|3,0,0]=3 654 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [0,0,0,0,0,0|3,0,0]=3 655 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [0,0,0,0,0,0|3,0,0]=3 656 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [0,0,0,0,0,0|3,0,0]=3 657 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,0,0,0,0,0|3,0,0]=3 658 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,0,0,0,0,0|3,0,0]=3 659 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,0,0,0,0,0|3,0,0]=3 660 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,0,0,0,0,0|3,0,0]=3 661 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [0,0,0,0,0,0|3,0,1]=4 662 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [0,0,0,0,0,0|3,0,1]=4 663 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [0,0,0,0,0,0|3,0,1]=4 664 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [0,0,0,0,0,0|3,0,1]=4 665 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [0,0,0,0,0,0|3,0,1]=4 666 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [0,0,0,0,0,0|3,0,1]=4 667 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [0,0,0,0,0,0|3,0,1]=4 668 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [0,0,0,0,0,0|3,0,1]=4 669 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [0,0,0,0,0,0|3,0,1]=4 670 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [0,0,0,0,0,0|3,0,1]=4 671 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [0,0,0,0,0,0|3,0,1]=4 672 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [0,0,0,0,0,0|3,0,1]=4 673 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [0,0,0,0,0,0|3,0,1]=4 674 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [0,0,0,0,0,0|3,0,1]=4 675 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [0,0,0,0,0,0|3,0,1]=4 676 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [0,0,0,0,0,0|3,0,1]=4 677 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [0,0,0,0,0,0|3,0,1]=4 678 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [0,0,0,0,0,0|3,0,1]=4 679 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [0,0,0,0,0,0|3,0,1]=4 680 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,0,0,0,0,0|2,0,1]=3 681 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,0,0,0,0,0|2,0,1]=3 682 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,0,0,0,0,0|1,0,0]=1 683 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,0,0,0,0,0|1,0,0]=1 684 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,0,0,0,0,0|2,0,1]=3 685 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,0,0,0,0,0|2,0,1]=3 686 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,0,0,0,0,0|1,0,2]=3 687 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,0,0,0,0,0|1,0,2]=3 688 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,0,0,0,0,0|3,0,0]=3 689 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,0,0,0,0,0|3,0,0]=3 690 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,0,0,0,0,0|3,0,1]=4 691 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,0,0,0,0,0|3,0,1]=4 692 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,0,0,0,0,0|3,0,1]=4 693 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,0,0,0,0,0|3,0,1]=4 694 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,0,0,0,0,0|3,0,1]=4 695 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,0,0,0,0,0|3,0,1]=4 696 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,0,0,0,0,0|3,0,1]=4 697 B8R0.4 CCCSCCSC#N 62a_100000034367_100000210303 [0,0,0,0,0,0|3,0,1]=4 698 B8R0.4 CCCSCCSC#N 62a_100000210303_100000034367 [0,0,0,0,0,0|3,0,1]=4 699 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,0,0,0,0,0|3,0,1]=4 700 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,0,0,0,0,0|3,0,1]=4 701 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [0,0,0,0,0,0|2,0,1]=3 702 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,0,0,0,0,0|1,0,0]=1 703 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [0,0,0,0,0,0|2,0,1]=3 704 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,0,0,0,0,0|1,0,2]=3 705 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,0,0,0,0,0|1,0,2]=3 706 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,0,0,0,0,0|1,0,2]=3 707 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,0,0,0,0,0|3,0,0]=3 708 B8R0.4 CCNCCCN=[N+]=[N-] 2230a_100000744732_100000210202 [0,0,0,0,0,0|4,0,0]=4 709 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,0,0,0,0,0|3,0,1]=4 710 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,0,0,0,0,0|3,0,1]=4 711 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,0,0,0,0,0|3,0,1]=4 712 B8R0.4 CCNCCOCC#N 2230a_100015525214_200000047693 [0,0,0,0,0,0|3,0,1]=4 713 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [0,0,0,0,0,0|2,0,2]=4 714 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [0,0,0,0,0,0|2,0,2]=4 715 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [0,0,0,0,0,0|2,0,2]=4 716 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [0,0,0,0,0,0|2,0,2]=4 717 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [0,0,0,0,0,0|4,0,0]=4 718 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [0,0,0,0,0,0|2,0,1]=3 719 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [0,0,0,0,0,0|2,0,1]=3 720 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,0,0,0,0,0|2,0,1]=3 721 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,0,0,0,0,0|2,0,1]=3 722 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [0,0,0,0,0,0|2,0,1]=3 723 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [0,0,0,0,0,0|2,0,1]=3 724 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [0,0,0,0,0,0|2,0,1]=3 725 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,0,0,0,0,0|2,0,1]=3 726 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,0,0,0,0,0|1,0,2]=3 727 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,0,0,0,0,0|3,0,0]=3 728 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,0,0,0,0,0|3,0,0]=3 729 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,0,0,0,0,0|3,0,0]=3 730 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,0,0,0,0,0|3,0,0]=3 731 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [0,0,0,0,0,0|3,0,1]=4 732 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [0,0,0,0,0,0|3,0,1]=4 733 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [0,0,0,0,0,0|3,0,1]=4 734 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [0,0,0,0,0,0|3,0,1]=4 735 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [0,0,0,0,0,0|3,0,1]=4 736 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [0,0,0,0,0,0|3,0,1]=4 737 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,0,0,0,0,0|3,0,1]=4 738 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,0,0,0,0,0|3,0,1]=4 739 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,0,0,0,0,0|3,0,1]=4 740 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,0,0,0,0,0|3,0,1]=4 741 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [0,0,0,0,0,0|3,0,1]=4 742 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [0,0,0,0,0,0|3,0,1]=4 743 B8R0.4 CCOCCNCC#N 2230a_102516460346_100011215382 [0,0,0,0,0,0|3,0,1]=4 744 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,0,0,0,0,0|2,0,0]=2 745 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,0,0,0,0,0|2,0,0]=2 746 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [0,0,0,0,0,0|3,0,1]=4 747 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [0,0,0,0,0,0|3,0,1]=4 748 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [0,0,0,0,0,0|3,0,1]=4 749 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [0,0,0,0,0,0|2,0,2]=4 750 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [0,0,0,0,0,0|2,0,2]=4 751 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [0,0,0,0,0,0|2,0,2]=4 752 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [0,0,0,0,0,0|2,0,2]=4 753 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [0,0,0,0,0,0|4,0,0]=4 754 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [0,0,0,0,0,0|4,0,0]=4 755 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [0,0,0,0,0,0|4,0,0]=4 756 B8R0.4 CCOCCOCC#N 7a_100000210136_100011215382 [0,0,0,0,0,0|3,0,1]=4 757 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,0,0,0,0,0|2,0,0]=2 758 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,0,0,0,0,0|2,0,0]=2 759 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [0,0,0,0,0,0|3,0,1]=4 760 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [0,0,0,0,0,0|3,0,1]=4 761 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [0,0,0,0,0,0|3,0,1]=4 762 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [0,0,0,0,0,0|3,0,1]=4 763 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [0,0,0,0,0,0|3,0,1]=4 764 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [0,0,0,0,0,0|3,0,1]=4 765 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [0,0,0,0,0,0|3,0,1]=4 766 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [0,0,0,0,0,0|3,0,1]=4 767 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [0,0,0,0,0,0|3,0,1]=4 768 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [0,0,0,0,0,0|3,0,1]=4 769 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [0,0,0,0,0,0|3,0,1]=4 770 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [0,0,0,0,0,0|3,0,1]=4 771 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [0,0,0,0,0,0|3,0,1]=4 772 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [0,0,0,0,0,0|2,0,2]=4 773 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [0,0,0,0,0,0|2,0,2]=4 774 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [0,0,0,0,0,0|2,0,2]=4 775 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [0,0,0,0,0,0|4,0,0]=4 776 B8R0.4 CCOCCSCC#N 62a_100000210147_100011215382 [0,0,0,0,0,0|3,0,1]=4 777 B8R0.4 CCOCCSCC#N 62a_100011215382_100011215890 [0,0,0,0,0,0|3,0,1]=4 778 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,0,0,0,0,0|2,0,0]=2 779 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,0,0,0,0,0|2,0,0]=2 780 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [0,0,0,0,0,0|3,0,1]=4 781 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [0,0,0,0,0,0|3,0,1]=4 782 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,0,0,0,0,0|2,0,2]=4 783 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,0,0,0,0,0|2,0,2]=4 784 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [0,0,0,0,0,0|4,0,0]=4 785 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [0,0,0,0,0,0|4,0,0]=4 786 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [0,0,0,0,0,0|4,0,0]=4 787 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [0,0,0,0,0,0|4,0,0]=4 788 B8R0.4 CCOCSCCC#N 62a_100000739092_100011215226 [0,0,0,0,0,0|3,0,1]=4 789 B8R0.4 CCOCSCCC#N 62a_100011215226_100000739092 [0,0,0,0,0,0|3,0,1]=4 790 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [0,0,0,0,0,0|3,0,1]=4 791 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [0,0,0,0,0,0|3,0,1]=4 792 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,0,0,0,0,0|2,0,2]=4 793 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,0,0,0,0,0|2,0,2]=4 794 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,0,0,0,0,0|4,0,0]=4 795 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,0,0,0,0,0|4,0,0]=4 796 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,0,0,0,0,0|4,0,0]=4 797 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,0,0,0,0,0|4,0,0]=4 798 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [0,0,0,0,0,0|2,0,1]=3 799 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [0,0,0,0,0,0|2,0,1]=3 800 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,0,0,0,0,0|1,0,0]=1 801 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,0,0,0,0,0|1,0,0]=1 802 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,0,0,0,0,0|2,0,1]=3 803 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,0,0,0,0,0|2,0,1]=3 804 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,0,0,0,0,0|1,0,2]=3 805 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,0,0,0,0,0|1,0,2]=3 806 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,0,0,0,0,0|3,0,0]=3 807 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,0,0,0,0,0|3,0,0]=3 808 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,0,0,0,0,0|3,0,1]=4 809 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,0,0,0,0,0|3,0,1]=4 810 B8R0.4 CCSCCNCC#N 2230a_100000106463_100011215382 [0,0,0,0,0,0|3,0,1]=4 811 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,0,0,0,0,0|2,0,0]=2 812 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [0,0,0,0,0,0|3,0,1]=4 813 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [0,0,0,0,0,0|3,0,1]=4 814 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [0,0,0,0,0,0|2,0,2]=4 815 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [0,0,0,0,0,0|2,0,2]=4 816 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [0,0,0,0,0,0|2,0,2]=4 817 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [0,0,0,0,0,0|4,0,0]=4 818 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [0,0,0,0,0,0|4,0,0]=4 819 B8R0.4 CCSCCOCC#N 62a_100000210202_200000047693 [0,0,0,0,0,0|3,0,1]=4 820 B8R0.4 CCSCCOCC#N 62a_200000047693_100000210202 [0,0,0,0,0,0|3,0,1]=4 821 B8R0.4 CCSCCOCC#N 7a_100000212035_100011215382 [0,0,0,0,0,0|3,0,1]=4 822 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,0,0,0,0,0|2,0,0]=2 823 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,0,0,0,0,0|2,0,0]=2 824 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [0,0,0,0,0,0|3,0,1]=4 825 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [0,0,0,0,0,0|3,0,1]=4 826 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [0,0,0,0,0,0|3,0,1]=4 827 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [0,0,0,0,0,0|3,0,1]=4 828 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [0,0,0,0,0,0|2,0,2]=4 829 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [0,0,0,0,0,0|2,0,2]=4 830 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [0,0,0,0,0,0|2,0,2]=4 831 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [0,0,0,0,0,0|2,0,2]=4 832 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [0,0,0,0,0,0|4,0,0]=4 833 B8R0.4 CCSCCSCC#N 62a_100000757381_100011215382 [0,0,0,0,0,0|3,0,1]=4 834 B8R0.4 CCSCCSCC#N 62a_100011215382_100000757381 [0,0,0,0,0,0|3,0,1]=4 835 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,0,0,0,0,0|2,0,0]=2 836 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,0,0,0,0,0|2,0,0]=2 837 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [0,0,0,0,0,0|3,0,1]=4 838 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [0,0,0,0,0,0|3,0,1]=4 839 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,0,0,0,0,0|2,0,2]=4 840 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,0,0,0,0,0|2,0,2]=4 841 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [0,0,0,0,0,0|4,0,0]=4 842 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [0,0,0,0,0,0|4,0,0]=4 843 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [0,0,0,0,0,0|4,0,0]=4 844 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [0,0,0,0,0,0|4,0,0]=4 845 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [0,0,0,0,0,0|4,0,0]=4 846 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [0,0,0,0,0,0|4,0,0]=4 847 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [0,0,0,0,0,0|2,0,1]=3 848 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [0,0,0,0,0,0|2,0,1]=3 849 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,0,0,0,0,0|1,0,0]=1 850 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,0,0,0,0,0|1,0,0]=1 851 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,0,0,0,0,0|2,0,1]=3 852 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,0,0,0,0,0|2,0,1]=3 853 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,0,0,0,0,0|2,0,1]=3 854 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,0,0,0,0,0|1,0,2]=3 855 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,0,0,0,0,0|1,0,2]=3 856 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,0,0,0,0,0|1,0,2]=3 857 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,0,0,0,0,0|1,0,2]=3 858 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,0,0,0,0,0|1,0,2]=3 859 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,0,0,0,0,0|3,0,0]=3 860 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,0,0,0,0,0|3,0,0]=3 861 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,0,0,0,0,0|3,0,0]=3 862 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,0,0,0,0,0|3,0,0]=3 863 B8R0.4 CNCCCCN=[N+]=[N-] 2230a_100000101370_200000210301 [0,0,0,0,0,0|4,0,0]=4 864 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,0,0,0,0,0|2,0,0]=2 865 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [0,0,0,0,0,0|3,0,1]=4 866 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [0,0,0,0,0,0|2,0,2]=4 867 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [0,0,0,0,0,0|4,0,0]=4 868 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [0,0,0,0,0,0|4,0,0]=4 869 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [0,0,0,0,0,0|4,0,0]=4 870 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [0,0,0,0,0,0|4,0,0]=4 871 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [0,0,0,0,0,0|4,0,0]=4 872 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [0,0,0,0,0,0|4,0,0]=4 873 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [0,0,0,0,0,0|4,0,0]=4 874 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [0,0,0,0,0,0|4,0,0]=4 875 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,0,0,0,0,0|2,0,1]=3 876 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,0,0,0,0,0|2,0,1]=3 877 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,0,0,0,0,0|2,0,1]=3 878 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,0,0,0,0,0|2,0,1]=3 879 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,0,0,0,0,0|2,0,1]=3 880 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,0,0,0,0,0|2,0,1]=3 881 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,0,0,0,0,0|2,0,1]=3 882 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,0,0,0,0,0|2,0,1]=3 883 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,0,0,0,0,0|1,0,2]=3 884 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,0,0,0,0,0|3,0,0]=3 885 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,0,0,0,0,0|3,0,0]=3 886 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,0,0,0,0,0|3,0,1]=4 887 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,0,0,0,0,0|3,0,1]=4 888 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,0,0,0,0,0|3,0,1]=4 889 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,0,0,0,0,0|2,0,0]=2 890 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [0,0,0,0,0,0|3,0,1]=4 891 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [0,0,0,0,0,0|3,0,1]=4 892 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,0,0,0,0,0|2,0,2]=4 893 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,0,0,0,0,0|2,0,2]=4 894 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,0,0,0,0,0|2,0,2]=4 895 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,0,0,0,0,0|4,0,0]=4 896 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,0,0,0,0,0|2,0,0]=2 897 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [0,0,0,0,0,0|3,0,1]=4 898 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [0,0,0,0,0,0|3,0,1]=4 899 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [0,0,0,0,0,0|3,0,1]=4 900 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [0,0,0,0,0,0|2,0,2]=4 901 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [0,0,0,0,0,0|4,0,0]=4 902 B8R0.4 COCCCSCC#N 62a_100000709357_100011215382 [0,0,0,0,0,0|3,0,1]=4 903 B8R0.4 COCCCSCC#N 62a_100011215382_100000709357 [0,0,0,0,0,0|3,0,1]=4 904 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,0,0,0,0,0|2,0,0]=2 905 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,0,0,0,0,0|2,0,0]=2 906 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,0,0,0,0,0|3,0,1]=4 907 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,0,0,0,0,0|3,0,1]=4 908 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,0,0,0,0,0|2,0,2]=4 909 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,0,0,0,0,0|2,0,2]=4 910 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,0,0,0,0,0|4,0,0]=4 911 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,0,0,0,0,0|4,0,0]=4 912 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,0,0,0,0,0|4,0,0]=4 913 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,0,0,0,0,0|4,0,0]=4 914 B8R0.4 COCCNCCC#N 2230a_100000209980_100011215226 [0,0,0,0,0,0|3,0,1]=4 915 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [0,0,0,0,0,0|3,0,1]=4 916 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [0,0,0,0,0,0|3,0,1]=4 917 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [0,0,0,0,0,0|3,0,1]=4 918 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,0,0,0,0,0|2,0,2]=4 919 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [0,0,0,0,0,0|4,0,0]=4 920 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,0,0,0,0,0|4,0,0]=4 921 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,0,0,0,0,0|4,0,0]=4 922 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [0,0,0,0,0,0|3,0,1]=4 923 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [0,0,0,0,0,0|3,0,1]=4 924 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [0,0,0,0,0,0|3,0,1]=4 925 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [0,0,0,0,0,0|3,0,1]=4 926 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [0,0,0,0,0,0|3,0,1]=4 927 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [0,0,0,0,0,0|2,0,2]=4 928 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [0,0,0,0,0,0|4,0,0]=4 929 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [0,0,0,0,0,0|4,0,0]=4 930 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [0,0,0,0,0,0|4,0,0]=4 931 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [0,0,0,0,0,0|4,0,0]=4 932 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [0,0,0,0,0,0|4,0,0]=4 933 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [0,0,0,0,0,0|4,0,0]=4 934 B8R0.4 COCCOCCON 34a_100000700252_100011201679 [0,0,0,0,0,0|4,0,0]=4 935 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [0,0,0,0,0,0|4,0,0]=4 936 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [0,0,0,0,0,0|4,0,0]=4 937 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [0,0,0,0,0,0|4,0,0]=4 938 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [0,0,0,0,0,0|4,0,0]=4 939 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [0,0,0,0,0,0|4,0,0]=4 940 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [0,0,0,0,0,0|4,0,0]=4 941 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [0,0,0,0,0,0|4,0,0]=4 942 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [0,0,0,0,0,0|4,0,0]=4 943 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [0,0,0,0,0,0|4,0,0]=4 944 B8R0.4 COCCSCCC#N 62a_100000233755_100011215226 [0,0,0,0,0,0|3,0,1]=4 945 B8R0.4 COCCSCCC#N 62a_100011215226_100000233755 [0,0,0,0,0,0|3,0,1]=4 946 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,0,0,0,0,0|3,0,1]=4 947 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,0,0,0,0,0|3,0,1]=4 948 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,0,0,0,0,0|2,0,2]=4 949 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,0,0,0,0,0|2,0,2]=4 950 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [0,0,0,0,0,0|4,0,0]=4 951 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,0,0,0,0,0|4,0,0]=4 952 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,0,0,0,0,0|4,0,0]=4 953 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [0,0,0,0,0,0|2,0,2]=4 954 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [0,0,0,0,0,0|4,0,0]=4 955 B8R0.4 COCSCCCC#N 62a_100000687738_100000766300 [0,0,0,0,0,0|3,0,1]=4 956 B8R0.4 COCSCCCC#N 62a_100000766300_100000687738 [0,0,0,0,0,0|3,0,1]=4 957 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,0,0,0,0,0|2,0,0]=2 958 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,0,0,0,0,0|2,0,0]=2 959 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [0,0,0,0,0,0|3,0,1]=4 960 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [0,0,0,0,0,0|3,0,1]=4 961 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,0,0,0,0,0|2,0,2]=4 962 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,0,0,0,0,0|2,0,2]=4 963 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [0,0,0,0,0,0|2,0,1]=3 964 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [0,0,0,0,0,0|2,0,1]=3 965 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,0,0,0,0,0|1,0,0]=1 966 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,0,0,0,0,0|1,0,0]=1 967 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,0,0,0,0,0|2,0,1]=3 968 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,0,0,0,0,0|2,0,1]=3 969 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,0,0,0,0,0|1,0,2]=3 970 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,0,0,0,0,0|1,0,2]=3 971 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,0,0,0,0,0|3,0,1]=4 972 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,0,0,0,0,0|3,0,1]=4 973 B8R0.4 CSCCCNCC#N 2230a_100000749238_100011215382 [0,0,0,0,0,0|3,0,1]=4 974 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,0,0,0,0,0|2,0,0]=2 975 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,0,0,0,0,0|3,0,1]=4 976 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,0,0,0,0,0|2,0,2]=4 977 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [0,0,0,0,0,0|4,0,0]=4 978 B8R0.4 CSCCCOCC#N 7a_100000690336_100011215382 [0,0,0,0,0,0|3,0,1]=4 979 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,0,0,0,0,0|2,0,0]=2 980 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,0,0,0,0,0|2,0,0]=2 981 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [0,0,0,0,0,0|3,0,1]=4 982 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [0,0,0,0,0,0|3,0,1]=4 983 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,0,0,0,0,0|2,0,2]=4 984 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,0,0,0,0,0|2,0,2]=4 985 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [0,0,0,0,0,0|4,0,0]=4 986 B8R0.4 CSCCNCCC#N 2230a_100020590264_100011215226 [0,0,0,0,0,0|3,0,1]=4 987 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,0,0,0,0,0|3,0,1]=4 988 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,0,0,0,0,0|3,0,1]=4 989 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,0,0,0,0,0|3,0,1]=4 990 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,0,0,0,0,0|2,0,2]=4 991 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,0,0,0,0,0|4,0,0]=4 992 B8R0.4 CSCCOCCC#N 7a_100000230434_100000184422 [0,0,0,0,0,0|3,0,1]=4 993 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [0,0,0,0,0,0|3,0,1]=4 994 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,0,0,0,0,0|3,0,1]=4 995 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [0,0,0,0,0,0|3,0,1]=4 996 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [0,0,0,0,0,0|3,0,1]=4 997 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [0,0,0,0,0,0|3,0,1]=4 998 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,0,0,0,0,0|3,0,1]=4 999 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,0,0,0,0,0|2,0,2]=4 1000 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,0,0,0,0,0|2,0,2]=4 1001 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [0,0,0,0,0,0|4,0,0]=4 1002 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [0,0,0,0,0,0|4,0,0]=4 1003 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [0,0,0,0,0,0|4,0,0]=4 1004 B8R0.4 CSCCSCCC#N 62a_100000212216_100011215226 [0,0,0,0,0,0|3,0,1]=4 1005 B8R0.4 CSCCSCCC#N 62a_100011215226_100000751147 [0,0,0,0,0,0|3,0,1]=4 1006 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,0,0,0,0,0|3,0,1]=4 1007 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,0,0,0,0,0|3,0,1]=4 1008 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,0,0,0,0,0|2,0,2]=4 1009 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,0,0,0,0,0|2,0,2]=4 1010 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [0,0,0,0,0,0|4,0,0]=4 1011 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,0,0,0,0,0|2,0,2]=4 1012 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,0,0,0,0,0|2,0,2]=4 1013 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [0,0,0,0,0,0|3,0,1]=4 1014 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [0,0,0,0,0,0|3,0,1]=4 1015 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [0,0,0,0,0,0|3,0,1]=4 1016 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [0,0,0,0,0,0|3,0,1]=4 1017 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [0,0,0,0,0,0|3,0,1]=4 1018 B8R0.4 CSCSCCCC#N 62a_100000687738_100011218213 [0,0,0,0,0,0|3,0,1]=4 1019 B8R0.4 CSCSCCCC#N 62a_100011218213_100000687738 [0,0,0,0,0,0|3,0,1]=4 1020 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,0,0,0,0,0|2,0,0]=2 1021 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,0,0,0,0,0|2,0,0]=2 1022 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [0,0,0,0,0,0|3,0,1]=4 1023 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [0,0,0,0,0,0|3,0,1]=4 1024 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,0,0,0,0,0|2,0,2]=4 1025 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,0,0,0,0,0|2,0,2]=4 1026 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [0,0,0,0,0,0|3,0,1]=4 1027 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [0,0,0,0,0,0|3,0,1]=4 1028 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [0,0,0,0,0,0|3,0,1]=4 1029 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [0,0,0,0,0,0|3,0,1]=4 1030 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [0,0,0,0,0,0|3,0,1]=4 1031 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [0,0,0,0,0,0|3,0,1]=4 1032 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [0,0,0,0,0,0|3,0,1]=4 1033 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [0,0,0,0,0,0|3,0,1]=4 1034 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [0,0,0,0,0,0|3,0,1]=4 1035 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [0,0,0,0,0,0|3,0,1]=4 1036 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [0,0,0,0,0,0|3,0,1]=4 1037 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [0,0,0,0,0,0|3,0,1]=4 1038 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [0,0,0,0,0,0|3,0,1]=4 1039 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [0,0,0,0,0,0|3,0,1]=4 1040 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [0,0,0,0,0,0|3,0,1]=4 1041 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [0,0,0,0,0,0|3,0,1]=4 1042 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [0,0,0,0,0,0|3,0,1]=4 1043 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [0,0,0,0,0,0|3,0,1]=4 1044 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [0,0,0,0,0,0|3,0,1]=4 1045 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [0,0,0,0,0,0|3,0,1]=4 1046 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [0,0,0,0,0,0|3,0,1]=4 1047 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [0,0,0,0,0,0|3,0,1]=4 1048 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [0,0,0,0,0,0|3,0,1]=4 1049 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [0,0,0,0,0,0|3,0,1]=4 1050 B8R0.4 N#CCCCCSCF 62a_100011219923_100015361967 [0,0,0,0,0,0|3,0,1]=4 1051 B8R0.4 N#CCCCCSCF 62a_100015361967_100000211819 [0,0,0,0,0,0|3,0,1]=4 1052 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [0,0,0,0,0,0|3,0,1]=4 1053 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [0,0,0,0,0,0|2,0,1]=3 1054 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [0,0,0,0,0,0|2,0,1]=3 1055 B8R0.4 N#CCCCSCCF 62a_100000687738_100011217306 [0,0,0,0,0,0|3,0,1]=4 1056 B8R0.4 N#CCCCSCCF 62a_100011217306_100000687738 [0,0,0,0,0,0|3,0,1]=4 1057 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [0,0,0,0,0,0|3,0,1]=4 1058 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [0,0,0,0,0,0|3,0,1]=4 1059 B8R0.4 N#CCCNCCCF 2230a_100015189416_100011215226 [0,0,0,0,0,0|3,0,1]=4 1060 B8R0.4 N#CCCSCCCF 62a_100011215226_100011934791 [0,0,0,0,0,0|3,0,1]=4 1061 B8R0.4 N#CCCSCCCF 62a_100011934791_100011215226 [0,0,0,0,0,0|3,0,1]=4 1062 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [0,0,0,0,0,0|3,0,1]=4 1063 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [0,0,0,0,0,0|3,0,1]=4 1064 B8R0.4 N#CCNCCCCO 2230a_100000750430_100011215382 [0,0,0,0,0,0|3,0,1]=4 1065 B8R0.4 N#CCOCCCCCl 7a_100000210776_100011215382 [0,0,0,0,0,0|3,0,1]=4 1066 B8R0.4 N#CCOCCCCF 7a_100011995726_100011215382 [0,0,0,0,0,0|3,0,1]=4 1067 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [0,0,0,0,0,0|2,0,1]=3 1068 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [0,0,0,0,0,0|2,0,1]=3 1069 B8R0.4 N#CCSCCCCF 62a_100000729493_100011215382 [0,0,0,0,0,0|3,0,1]=4 1070 B8R0.4 N#CCSCCCCF 62a_100011215382_100000729493 [0,0,0,0,0,0|3,0,1]=4 1071 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [0,0,0,0,0,0|3,0,1]=4 1072 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [0,0,0,0,0,0|3,0,1]=4 1073 B8R0.4 N#CSCCSCC=O 62a_100000034367_200015260668 [0,0,0,0,0,0|3,0,1]=4 1074 B8R0.4 N#CSCCSCC=O 62a_200015260668_100000034367 [0,0,0,0,0,0|3,0,1]=4 1075 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [0,0,0,0,0,0|3,0,1]=4 1076 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,0,0,0,0,0|2,0,0]=2 1077 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [0,0,0,0,0,0|3,0,1]=4 1078 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [0,0,0,0,0,0|2,0,2]=4 1079 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [0,0,0,0,0,0|3,0,1]=4 1080 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [0,0,0,0,0,0|2,0,2]=4 1081 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [0,0,0,0,0,0|3,0,1]=4 1082 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [0,0,0,0,0,0|2,0,2]=4 1083 B8R0.4 NOCCOCCCF 34a_100000700252_100011934791 [0,0,0,0,0,0|4,0,0]=4 1084 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [0,0,0,0,0,0|4,0,0]=4 1085 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,0,0,0,0,0|2,0,0]=2 1086 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,0,0,0,0,0|2,0,0]=2 1087 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,0,0,0,0,0|2,0,0]=2 1088 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [0,0,0,0,0,0|2,0,1]=3 1089 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [0,0,0,0,0,0|2,0,1]=3 1090 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,0,0,0,0,0|2,0,0]=2 1091 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,0,0,0,0,0|2,0,0]=2 1092 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,0,0,0,0,0|2,0,0]=2 1093 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,0,0,0,0,0|2,0,0]=2 1094 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,0,0,0,0,0|2,0,0]=2 1095 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,0,0,0,0,0|2,0,0]=2 1096 B8R0.4 O=CCOCC#CCCl 34a_200000047223_200009817547 [0,0,0,0,0,0|2,0,2]=4 1097 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,0,0,0,0,0|2,0,0]=2 1098 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,0,0,0,0,0|2,0,0]=2 1099 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,0,0,0,0,0|2,0,0]=2 1100 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,0,0,0,0,0|2,0,0]=2 1101 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,0,0,0,0,0|2,0,0]=2 1102 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,0,0,0,0,0|2,0,0]=2 1103 B8R0.4 O=CCSCC#CCO 62a_200000047223_200015260668 [0,0,0,0,0,0|2,0,2]=4 1104 B8R0.4 O=CCSCC#CCO 62a_200015260668_200000047223 [0,0,0,0,0,0|2,0,2]=4 1105 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,0,0,0,0,0|2,0,0]=2 1106 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,0,0,0,0,0|2,0,0]=2 1107 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,0,0,0,0,0|2,0,0]=2 1108 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,0,0,0,0,0|2,0,0]=2 1109 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,0,0,0,0,0|2,0,2]=4 1110 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,0,0,0,0,0|2,0,2]=4 1111 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,0,0,0,0,0|2,0,2]=4 1112 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [0,0,0,0,0,0|2,0,2]=4 1113 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [0,0,0,0,0,0|2,0,2]=4 1114 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [0,0,0,0,0,0|2,0,2]=4 1115 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [0,0,0,0,0,0|2,0,2]=4 1116 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [0,0,0,0,0,0|2,0,2]=4 1117 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [0,0,0,0,0,0|2,0,2]=4 1118 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [0,0,0,0,0,0|2,0,2]=4 1119 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [0,0,0,0,0,0|2,0,2]=4 1120 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,0,0,0,0,0|2,0,2]=4 1121 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,0,0,0,0,0|2,0,2]=4 1122 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,0,0,0,0,0|2,0,2]=4 1123 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,0,0,0,0,0|2,0,2]=4 1124 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [0,0,0,0,0,0|2,0,2]=4 1125 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [0,0,0,0,0,0|2,0,2]=4 1126 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [0,0,0,0,0,0|2,0,2]=4 1127 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [0,0,0,0,0,0|2,0,2]=4 1128 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [0,0,0,0,0,0|2,0,2]=4 1129 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,0,0,0,0,0|2,0,2]=4 1130 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,0,0,0,0,0|2,0,2]=4 1131 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,0,0,0,0,0|2,0,2]=4 1132 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [0,0,0,0,0,0|2,0,2]=4 1133 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [0,0,0,0,0,0|2,0,2]=4 1134 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [0,0,0,0,0,0|2,0,2]=4 1135 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [0,0,0,0,0,0|2,0,2]=4 1136 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [0,0,0,0,0,0|2,0,2]=4 1137 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [0,0,0,0,0,0|2,0,2]=4 1138 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [0,0,0,0,0,0|2,0,2]=4 1139 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [0,0,0,0,0,0|2,0,2]=4 1140 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,0,0,0,0,0|2,0,2]=4 1141 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,0,0,0,0,0|2,0,2]=4 1142 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,0,0,0,0,0|1,0,2]=3 1143 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,0,0,0,0,0|1,0,2]=3 1144 B8R0.4 [13CH3]NCCCCN=[N+]=[N-] 2230a_100000101370_200025704644 [0,0,0,0,0,0|4,0,0]=4 1145 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,0,0,0,0,0|2,0,1]=3 1146 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,0,0,0,0,0|2,0,1]=3 1147 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,0,0,0,0,0|2,0,1]=3 1148 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,0,0,0,0,0|2,0,1]=3 1149 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,0,0,0,0,0|2,0,1]=3 1150 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,0,0,0,0,0|2,0,1]=3 1151 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,0,0,0,0,0|2,0,1]=3 1152 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [0,0,0,0,0,0|2,0,1]=3 1153 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [0,0,0,0,0,0|2,0,1]=3 1154 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,0,0,0,0,0|1,0,0]=1 1155 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,0,0,0,0,0|1,0,0]=1 1156 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,0,0,0,0,0|2,0,1]=3 1157 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,0,0,0,0,0|2,0,1]=3 1158 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,0,0,0,0,0|1,0,2]=3 1159 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,0,0,0,0,0|1,0,2]=3 1160 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 1161 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 1162 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 1163 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,0,0,0,0|1,0,2]=4 1164 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 1165 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 1166 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 1167 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 1168 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|1,0,2]=4 1169 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 1170 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 1171 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 1172 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|1,0,2]=4 1173 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|1,0,2]=4 1174 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|1,0,2]=4 1175 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|1,0,2]=4 1176 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,0,0,0,0,0|1,0,2]=4 1177 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,0,0,0,0,0|1,0,2]=4 1178 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 1179 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|1,0,2]=4 1180 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 1181 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,0,0,0,0,0|1,0,2]=4 1182 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,0,0,0,0,0|1,0,2]=4 1183 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [1,0,0,0,0,0|1,0,2]=4 1184 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,0,0,0,0,0|1,0,2]=4 1185 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [1,0,0,0,0,0|1,0,2]=4 1186 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,0,0,0,0,0|1,0,2]=4 1187 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,0,0,0,0,0|1,0,2]=4 1188 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [1,0,0,0,0,0|1,0,2]=4 1189 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [1,0,0,0,0,0|1,0,2]=4 1190 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,0,0,0,0,0|1,0,2]=4 1191 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,0,0,0,0,0|1,0,2]=4 1192 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,0,0,0,0,0|1,0,2]=4 1193 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,0,0,0,0,0|1,0,2]=4 1194 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,0,0,0,0,0|1,0,2]=4 1195 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,0,0,0,0,0|1,0,2]=4 1196 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,0,0,0,0,0|1,0,2]=4 1197 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,0,0,0,0,0|1,0,2]=4 1198 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,0,0,0,0,0|1,0,2]=4 1199 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|2,0,1]=4 1200 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,0,0,0,0,0|1,0,2]=4 1201 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|2,0,1]=4 1202 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|2,0,1]=4 1203 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [1,0,0,0,0,0|1,0,2]=4 1204 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [1,0,0,0,0,0|1,0,2]=4 1205 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|2,0,1]=4 1206 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|2,0,1]=4 1207 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|1,0,1]=3 1208 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|1,0,1]=3 1209 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|1,0,1]=3 1210 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|1,0,1]=3 1211 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|1,0,1]=3 1212 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|1,0,1]=3 1213 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|1,0,1]=3 1214 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,0,1]=3 1215 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,0,1]=3 1216 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,0,1]=3 1217 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,0,1]=3 1218 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,0,1]=3 1219 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,1]=3 1220 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,1]=3 1221 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,1]=3 1222 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,1]=3 1223 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,1]=3 1224 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,1]=3 1225 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,1]=3 1226 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,0,0,0,0,0|2,0,1]=4 1227 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,1]=3 1228 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,1]=3 1229 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,1]=3 1230 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,0,0,0,0,0|2,0,1]=4 1231 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,0,0,0,0,0|2,0,1]=4 1232 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|1,0,1]=3 1233 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|1,0,1]=3 1234 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,0,0,0,0,0|2,0,1]=4 1235 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,0,0,0,0,0|2,0,1]=4 1236 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,0,0,0,0,0|1,0,2]=4 1237 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|1,0,1]=3 1238 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,0,0,0,0,0|2,0,1]=4 1239 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,0,0,0,0,0|2,0,1]=4 1240 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|2,0,1]=4 1241 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|2,0,1]=4 1242 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|2,0,1]=4 1243 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,0,0,0,0,0|2,0,1]=4 1244 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,0,0,0,0|2,0,1]=4 1245 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,0,0,0,0,0|1,0,2]=4 1246 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,0,0,0,0,0|2,0,1]=4 1247 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|1,0,1]=3 1248 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|1,0,1]=3 1249 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,0,0,0,0,0|2,0,1]=4 1250 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,0,0,0,0,0|2,0,1]=4 1251 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|2,0,1]=4 1252 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|2,0,1]=4 1253 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,0,0,0,0,0|1,0,2]=4 1254 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,0,0,0,0,0|1,0,2]=4 1255 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|1,0,1]=3 1256 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|1,0,1]=3 1257 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,0,0,0,0,0|2,0,1]=4 1258 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,0,0,0,0,0|2,0,1]=4 1259 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|2,0,1]=4 1260 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|2,0,1]=4 1261 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,0,0,0,0,0|2,0,1]=4 1262 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,0,0,0,0,0|2,0,1]=4 1263 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|2,0,1]=4 1264 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|2,0,1]=4 1265 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|1,0,1]=3 1266 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|1,0,1]=3 1267 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|1,0,1]=3 1268 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [1,0,0,0,0,0|2,0,1]=4 1269 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [1,0,0,0,0,0|2,0,1]=4 1270 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [1,0,0,0,0,0|2,0,1]=4 1271 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,0,0,0,0,0|2,0,1]=4 1272 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,0,0,0,0,0|2,0,1]=4 1273 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,0,0,0,0,0|2,0,1]=4 1274 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,0,0,0,0,0|2,0,1]=4 1275 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,0,0,0,0,0|2,0,1]=4 1276 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,0,0,0,0,0|2,0,1]=4 1277 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,1]=3 1278 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,1]=3 1279 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,1]=3 1280 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,0,0,0,0,0|2,0,1]=4 1281 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,0,0,0,0,0|2,0,1]=4 1282 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,0,0,0,0,0|2,0,1]=4 1283 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,0,0,0,0,0|2,0,1]=4 1284 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,0,0,0,0|2,0,1]=4 1285 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,0,0,0,0,0|2,0,1]=4 1286 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,0,0,0,0,0|2,0,1]=4 1287 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,0,0,0,0,0|2,0,1]=4 1288 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,0,0,0,0,0|2,0,1]=4 1289 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,0,0,0,0,0|2,0,1]=4 1290 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,0,0,0,0,0|2,0,1]=4 1291 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,0,0,0,0|2,0,1]=4 1292 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,0,0,0,0|2,0,1]=4 1293 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,0,0,0,0|2,0,1]=4 1294 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,1]=3 1295 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,1]=3 1296 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,0,0,0,0,0|2,0,1]=4 1297 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,0,0,0,0,0|2,0,1]=4 1298 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,0,0,0,0,0|2,0,1]=4 1299 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,0,0,0,0,0|2,0,1]=4 1300 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,0,0,0,0,0|2,0,1]=4 1301 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,0,0,0,0,0|2,0,1]=4 1302 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,0,0,0,0,0|2,0,1]=4 1303 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,0,0,0,0,0|2,0,1]=4 1304 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,0,0,0,0,0|2,0,1]=4 1305 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,0,0,0,0,0|2,0,1]=4 1306 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,0,0,0,0|2,0,1]=4 1307 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,0,0,0,0|2,0,1]=4 1308 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,0,0,0,0|2,0,1]=4 1309 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,0,0,0,0|2,0,1]=4 1310 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,0,0,0,0|2,0,1]=4 1311 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,0,0,0,0|2,0,1]=4 1312 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,0,0,0,0|2,0,1]=4 1313 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,0,0,0,0|2,0,1]=4 1314 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,0,0,0,0|2,0,1]=4 1315 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [1,0,0,0,0,0|1,0,2]=4 1316 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [1,0,0,0,0,0|1,0,2]=4 1317 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [1,0,0,0,0,0|1,0,2]=4 1318 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [1,0,0,0,0,0|1,0,2]=4 1319 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [1,0,0,0,0,0|1,0,2]=4 1320 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|2,0,1]=4 1321 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|2,0,1]=4 1322 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|2,0,1]=4 1323 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [1,0,0,0,0,0|1,0,2]=4 1324 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [1,0,0,0,0,0|1,0,2]=4 1325 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|2,0,1]=4 1326 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|2,0,1]=4 1327 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|3,0,0]=4 1328 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,1]=3 1329 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 1330 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,1]=3 1331 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 1332 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,1]=3 1333 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,1]=3 1334 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,1]=3 1335 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,1]=3 1336 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,1]=3 1337 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,1]=3 1338 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,1]=3 1339 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,1]=3 1340 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,1]=3 1341 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,1]=3 1342 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,1]=3 1343 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,1]=3 1344 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 1345 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,1]=3 1346 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 1347 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 1348 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 1349 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,1]=3 1350 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,1]=3 1351 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,0]=3 1352 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,0]=3 1353 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,0,0,0,0,0|2,0,1]=4 1354 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,0,0,0,0,0|2,0,1]=4 1355 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|1,0,0]=2 1356 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|1,0,0]=2 1357 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,1]=3 1358 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,1]=3 1359 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,0]=3 1360 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,0]=3 1361 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,0]=3 1362 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|1,0,1]=3 1363 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|1,0,1]=3 1364 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|1,0,1]=3 1365 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|1,0,1]=3 1366 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,1]=4 1367 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 1368 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,0,0,0,0,0|2,0,1]=4 1369 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|1,0,0]=2 1370 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|1,0,0]=2 1371 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,0]=3 1372 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,1]=3 1373 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,1]=3 1374 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,1]=3 1375 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,0]=3 1376 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,0]=3 1377 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,0]=3 1378 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|1,0,1]=3 1379 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|1,0,1]=3 1380 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,1]=4 1381 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,1]=4 1382 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,1]=4 1383 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,1]=4 1384 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,1]=4 1385 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,1]=4 1386 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,1]=4 1387 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,1]=4 1388 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,0,0,0,0,0|2,0,1]=4 1389 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,0,0,0,0,0|2,0,1]=4 1390 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|1,0,0]=2 1391 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|1,0,0]=2 1392 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,0,1]=3 1393 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,0,1]=3 1394 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,0,0]=3 1395 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,0,0]=3 1396 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|1,0,1]=3 1397 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|1,0,1]=3 1398 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,1]=4 1399 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,1]=4 1400 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,1]=4 1401 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,1]=4 1402 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,0]=3 1403 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,0]=3 1404 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,0,1]=4 1405 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,1]=4 1406 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,0]=3 1407 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,0]=3 1408 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,0]=3 1409 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,0]=3 1410 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,0]=3 1411 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|1,0,1]=3 1412 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 1413 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 1414 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|2,0,1]=4 1415 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 1416 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 1417 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 1418 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 1419 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|2,0,1]=4 1420 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|2,0,1]=4 1421 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|2,0,1]=4 1422 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|2,0,1]=4 1423 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|2,0,1]=4 1424 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|3,0,0]=4 1425 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|2,0,1]=4 1426 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|2,0,1]=4 1427 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,1]=4 1428 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 1429 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,1]=4 1430 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,1]=4 1431 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 1432 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,1]=4 1433 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,1]=4 1434 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,0,0,0,0,0|2,0,1]=4 1435 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,0,0,0,0,0|2,0,1]=4 1436 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,0,0]=3 1437 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,0,0]=3 1438 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|1,0,1]=3 1439 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|1,0,1]=3 1440 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|2,0,1]=4 1441 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|2,0,1]=4 1442 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|2,0,1]=4 1443 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|2,0,1]=4 1444 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|2,0,1]=4 1445 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|2,0,1]=4 1446 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|2,0,1]=4 1447 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|2,0,1]=4 1448 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,1]=4 1449 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,1]=4 1450 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,0,1]=4 1451 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,0,1]=4 1452 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,0,0,0,0,0|2,0,1]=4 1453 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|1,0,0]=2 1454 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|2,0,0]=3 1455 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|1,0,1]=3 1456 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|1,0,1]=3 1457 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|1,0,1]=3 1458 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|2,0,1]=4 1459 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|2,0,1]=4 1460 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|2,0,1]=4 1461 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|2,0,1]=4 1462 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 1463 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 1464 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,0,0,0,0,0|2,0,1]=4 1465 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,0,0,0,0,0|2,0,1]=4 1466 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,0]=3 1467 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 1468 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 1469 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,0]=3 1470 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,0]=3 1471 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,0]=3 1472 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,0]=3 1473 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,0]=3 1474 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|1,0,1]=3 1475 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|2,0,1]=4 1476 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|2,0,1]=4 1477 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|2,0,1]=4 1478 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|2,0,1]=4 1479 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|2,0,1]=4 1480 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|2,0,1]=4 1481 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|2,0,1]=4 1482 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|2,0,1]=4 1483 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|2,0,1]=4 1484 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|2,0,1]=4 1485 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|2,0,1]=4 1486 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|2,0,1]=4 1487 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|2,0,1]=4 1488 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|2,0,1]=4 1489 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|2,0,1]=4 1490 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,0,1]=4 1491 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,0,1]=4 1492 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,0,1]=4 1493 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,0,1]=4 1494 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,0,1]=4 1495 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,0,1]=4 1496 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,0,0,0,0,0|3,0,0]=4 1497 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 1498 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|2,0,1]=4 1499 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 1500 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 1501 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 1502 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 1503 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|2,0,1]=4 1504 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|2,0,1]=4 1505 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|2,0,1]=4 1506 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 1507 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,0,0,0,0,0|3,0,0]=4 1508 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,0,0,0,0,0|3,0,0]=4 1509 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,0,0,0,0|2,0,0]=3 1510 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,0,0,0,0|2,0,0]=3 1511 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,0,0,0,0,0|3,0,0]=4 1512 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,0,0,0,0,0|3,0,0]=4 1513 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,0,0,0,0,0|2,0,1]=4 1514 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,0,0,0,0,0|2,0,1]=4 1515 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,0,0,0,0,0|2,0,1]=4 1516 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,0,0,0,0,0|2,0,1]=4 1517 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|1,0,0]=2 1518 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|1,0,0]=2 1519 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|2,0,0]=3 1520 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|2,0,0]=3 1521 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|1,0,1]=3 1522 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|1,0,1]=3 1523 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|2,0,1]=4 1524 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|2,0,1]=4 1525 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|2,0,1]=4 1526 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|2,0,1]=4 1527 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|2,0,1]=4 1528 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|2,0,1]=4 1529 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 1530 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 1531 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,0,0,0,0,0|2,0,1]=4 1532 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,0,0,0,0,0|2,0,1]=4 1533 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,0,0,0,0,0|3,0,0]=4 1534 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,0,0,0,0,0|3,0,0]=4 1535 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1536 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1537 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|1,0,0]=2 1538 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|1,0,0]=2 1539 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,0]=3 1540 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,0]=3 1541 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,0]=3 1542 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|1,0,1]=3 1543 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|1,0,1]=3 1544 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|1,0,1]=3 1545 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|1,0,1]=3 1546 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|1,0,1]=3 1547 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|2,0,1]=4 1548 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|2,0,1]=4 1549 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|2,0,1]=4 1550 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,0,0,0,0,0|3,0,0]=4 1551 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 1552 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,0,0,0,0,0|2,0,1]=4 1553 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 1554 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,0,0,0,0,0|2,0,1]=4 1555 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,0,0,0,0,0|2,0,1]=4 1556 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,0,0,0,0,0|2,0,1]=4 1557 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 1558 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 1559 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1560 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1561 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,0]=3 1562 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 1563 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 1564 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 1565 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|1,0,1]=3 1566 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|2,0,1]=4 1567 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|2,0,1]=4 1568 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|2,0,1]=4 1569 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|2,0,1]=4 1570 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|2,0,1]=4 1571 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|2,0,1]=4 1572 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|2,0,1]=4 1573 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|2,0,1]=4 1574 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|2,0,1]=4 1575 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,0,0,0,0,0|3,0,0]=4 1576 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|3,0,0]=4 1577 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,0,0,0,0,0|3,0,0]=4 1578 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,0,0,0,0,0|3,0,0]=4 1579 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,0,0,0,0|2,0,0]=3 1580 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,0,0,0,0,0|3,0,0]=4 1581 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,0,0,0,0,0|3,0,0]=4 1582 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,0,0,0,0|2,0,1]=4 1583 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,0,0,0,0|2,0,1]=4 1584 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,0,0,0,0|2,0,1]=4 1585 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,0,0,0,0|2,0,0]=3 1586 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,0,0,0,0,0|3,0,0]=4 1587 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,0,0,0,0,0|3,0,0]=4 1588 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,0,0,0,0,0|3,0,0]=4 1589 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1590 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1591 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,0,0,0,0,0|3,0,0]=4 1592 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,0,0,0,0,0|3,0,0]=4 1593 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,0,0,0,0,0|3,0,0]=4 1594 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,0,0,0,0,0|3,0,0]=4 1595 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,0,0,0,0,0|3,0,0]=4 1596 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,0,0,0,0,0|3,0,0]=4 1597 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,0,0,0,0,0|3,0,0]=4 1598 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|2,0,1]=4 1599 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|2,0,1]=4 1600 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,0,0,0,0|2,0,0]=3 1601 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,0,0,0,0|2,0,0]=3 1602 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,0,0,0,0,0|3,0,0]=4 1603 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,0,0,0,0,0|3,0,0]=4 1604 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,0,0,0,0,0|2,0,1]=4 1605 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,0,0,0,0,0|2,0,1]=4 1606 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,0,0,0,0,0|3,0,0]=4 1607 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,0,0,0,0,0|3,0,0]=4 1608 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,0,0,0,0,0|3,0,0]=4 1609 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,0,0,0,0,0|2,0,1]=4 1610 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,0,0,0,0,0|2,0,1]=4 1611 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,0,1]=4 1612 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,0,1]=4 1613 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|1,0,0]=2 1614 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|1,0,0]=2 1615 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,0]=3 1616 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,0]=3 1617 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|1,0,1]=3 1618 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|1,0,1]=3 1619 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|2,0,1]=4 1620 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|2,0,1]=4 1621 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 1622 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 1623 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,0,0,0,0|2,0,0]=3 1624 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,0,0,0,0,0|3,0,0]=4 1625 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,0,0,0,0,0|3,0,0]=4 1626 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,0,0,0,0|2,0,1]=4 1627 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,0,0,0,0|2,0,1]=4 1628 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,0,0,0,0|2,0,1]=4 1629 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,0,0,0,0|2,0,0]=3 1630 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,0,0,0,0|2,0,0]=3 1631 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,0,0,0,0,0|3,0,0]=4 1632 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 1633 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 1634 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,0,0,0,0,0|3,0,0]=4 1635 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|2,0,1]=4 1636 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|2,0,1]=4 1637 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|2,0,1]=4 1638 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|2,0,1]=4 1639 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,0,0,0,0|2,0,0]=3 1640 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,0,0,0,0|2,0,0]=3 1641 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,0,0,0,0,0|3,0,0]=4 1642 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,0,0,0,0,0|3,0,0]=4 1643 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,0,0,0,0,0|2,0,1]=4 1644 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,0,0,0,0,0|2,0,1]=4 1645 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [1,0,0,0,0,0|3,0,0]=4 1646 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [1,0,0,0,0,0|3,0,0]=4 1647 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,0,0,0,0,0|3,0,0]=4 1648 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,0,0,0,0,0|3,0,0]=4 1649 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,0,0,0,0,0|3,0,0]=4 1650 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,0,0,0,0,0|3,0,0]=4 1651 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [1,0,0,0,0,0|3,0,0]=4 1652 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [1,0,0,0,0,0|3,0,0]=4 1653 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,0,0,0,0,0|2,0,1]=4 1654 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,0,0,0,0,0|2,0,1]=4 1655 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 1656 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 1657 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [1,0,0,0,0,0|3,0,0]=4 1658 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [1,0,0,0,0,0|3,0,0]=4 1659 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [1,0,0,0,0,0|3,0,0]=4 1660 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [1,0,0,0,0,0|3,0,0]=4 1661 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [1,0,0,0,0,0|3,0,0]=4 1662 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,0,0,0,0,0|3,0,0]=4 1663 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,0,0,0,0,0|3,0,0]=4 1664 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [1,0,0,0,0,0|3,0,0]=4 1665 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [1,0,0,0,0,0|3,0,0]=4 1666 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,0,0,0,0,0|3,0,0]=4 1667 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,0,0,0,0,0|3,0,0]=4 1668 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,0,0,0,0,0|3,0,0]=4 1669 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1670 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1671 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,0,0,0,0,0|3,0,0]=4 1672 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [1,0,0,0,0,0|2,0,1]=4 1673 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [1,0,0,0,0,0|2,0,1]=4 1674 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,0,0,0,0,0|3,0,0]=4 1675 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,0,0,0,0|2,0,0]=3 1676 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,0,0,0,0,0|3,0,0]=4 1677 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,0,0,0,0|2,0,1]=4 1678 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,0,0,0,0,0|3,0,0]=4 1679 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,0,0,0,0|2,0,1]=4 1680 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [1,0,0,0,0,0|3,0,0]=4 1681 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,0,0,0,0,0|2,0,0]=3 1682 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,0,0,0,0,0|2,0,0]=3 1683 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,0,0,0,0|2,0,0]=3 1684 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,0,0,0,0|2,0,0]=3 1685 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,0,0,0,0|2,0,0]=3 1686 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,0,0,0,0|2,0,0]=3 1687 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,0,0,0,0|2,0,0]=3 1688 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,0,0,0,0|2,0,0]=3 1689 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,0,0,0,0|2,0,0]=3 1690 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,0,0,0,0|2,0,0]=3 1691 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,0,0,0,0|2,0,0]=3 1692 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,0,0,0,0,0|2,0,1]=4 1693 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,0,0,0,0,0|2,0,1]=4 1694 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,0,0,0,0,0|2,0,1]=4 1695 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,0,0,0,0,0|2,0,1]=4 1696 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,0,0,0,0|2,0,1]=4 1697 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,0,0,0,0|2,0,1]=4 1698 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,0,0,0,0|2,0,1]=4 1699 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,0,0,0,0,0|2,0,1]=4 1700 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,0,0,0,0,0|2,0,1]=4 1701 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,0,0,0,0,0|2,0,1]=4 1702 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,0,0,0,0,0|2,0,1]=4 1703 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,0,0,0,0,0|2,0,1]=4 1704 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,0,0,0,0,0|2,0,1]=4 1705 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,0,0,0,0,0|2,0,1]=4 1706 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,0,0,0,0,0|2,0,1]=4 1707 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,0,0,0,0|2,0,1]=4 1708 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,0,0,0,0|2,0,1]=4 1709 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,0,0,0,0|2,0,1]=4 1710 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,0,0,0,0,0|2,0,1]=4 1711 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,0,0,0,0,0|2,0,1]=4 1712 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|1,0,1]=3 1713 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|1,0,1]=3 1714 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 1715 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 1716 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,0,0,0,0,0|2,0,1]=4 1717 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1718 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1719 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1720 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1721 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1722 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1723 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1724 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,0,0,0,0,0|3,0,0]=4 1725 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,0,0,0,0,0|3,0,0]=4 1726 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1727 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1728 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,0,0,0,0,0|3,0,0]=4 1729 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,0,0,0,0,0|3,0,0]=4 1730 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,0,0,0,0,0|3,0,0]=4 1731 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,0,0,0,0,0|3,0,0]=4 1732 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,0,0,0,0,0|3,0,0]=4 1733 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,0,1]=4 1734 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,0,1]=4 1735 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|1,0,0]=2 1736 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|1,0,0]=2 1737 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,0]=3 1738 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,0]=3 1739 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|1,0,1]=3 1740 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|1,0,1]=3 1741 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|2,0,1]=4 1742 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|2,0,1]=4 1743 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,0,0,0,0|0,0,2]=3 1744 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,0,0,0,0|0,0,2]=3 1745 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,0,0,0,0|0,0,2]=3 1746 B9R0.2 C#CCCCCCN(C)C 2230a_100102631434_100012094781 [0,1,0,0,0,0|2,0,1]=4 1747 B9R0.2 C#CCCCCCN(C)C 269982a_100102631434_100012094781 [0,1,0,0,0,0|2,0,1]=4 1748 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 1749 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 1750 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 1751 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,1,0,0,0,0|1,0,2]=4 1752 B9R0.2 C#CCCCCNC(C)C 2230a_100000706060_100000210206 [0,1,0,0,0,0|2,0,1]=4 1753 B9R0.2 C#CCCCCNC(C)C 2230a_100138425928_100010269958 [0,1,0,0,0,0|2,0,1]=4 1754 B9R0.2 C#CCCCCNC(C)C 34a_100000706060_100000210206 [0,1,0,0,0,0|2,0,1]=4 1755 B9R0.2 C#CCCCCNC(C)C 34a_100138425928_100010269958 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.2 C#CCCCCOC(C)C 34a_100000212225_100010269958 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.2 C#CCCCCOC(C)C 34a_100000766709_100000210206 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.2 C#CCCCCOC(C)C 7a_100000766709_100000210206 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.2 C#CCCCCSC(C)C 62a_100000210206_100010269958 [0,1,0,0,0,0|2,0,1]=4 1760 B9R0.2 C#CCCCCSC(C)C 62a_100010269958_100000210206 [0,1,0,0,0,0|2,0,1]=4 1761 B9R0.2 C#CCCCNCC(=O)N 2230a_100000711301_100000731252 [0,1,0,0,0,0|1,0,2]=4 1762 B9R0.2 C#CCCCNCC(=O)N 34a_100000718082_100000187820 [0,1,0,0,0,0|1,0,2]=4 1763 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,1,0,0,0,0|1,0,2]=4 1764 B9R0.2 C#CCCCNCC(=O)[O-] 34a_100000718082_100020667443 [0,1,0,0,0,0|1,0,2]=4 1765 B9R0.2 C#CCCCNCC(C)C 2230a_100000210953_100000731252 [0,1,0,0,0,0|2,0,1]=4 1766 B9R0.2 C#CCCCNCC(C)C 270004a_100000718082_100000210432 [0,1,0,0,0,0|2,0,1]=4 1767 B9R0.2 C#CCCCNCC(C)C 34a_100000210953_100000695029 [0,1,0,0,0,0|2,0,1]=4 1768 B9R0.2 C#CCCCNCC(C)C 34a_100000718082_100000210624 [0,1,0,0,0,0|2,0,1]=4 1769 B9R0.2 C#CCCCNCC(C)O 2230a_100000210904_100000731252 [0,1,0,0,0,0|2,0,1]=4 1770 B9R0.2 C#CCCCNCC(C)O 34a_100000210904_100000695029 [0,1,0,0,0,0|2,0,1]=4 1771 B9R0.2 C#CCCCNCC(C)O 34a_100000718082_100011218427 [0,1,0,0,0,0|2,0,1]=4 1772 B9R0.2 C#CCCCNC[C@@H](C)O 34a_100000718082_100009817552 [0,1,0,0,0,0|2,0,1]=4 1773 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,1,0,0,0,0|1,0,2]=4 1774 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [0,1,0,0,0,0|1,0,2]=4 1775 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [0,1,0,0,0,0|1,0,2]=4 1776 B9R0.2 C#CCCCOCC(=O)[O-] 34a_100000215630_100020667443 [0,1,0,0,0,0|1,0,2]=4 1777 B9R0.2 C#CCCCOCC(C)Br 34a_100012180447_100000695029 [0,1,0,0,0,0|2,0,1]=4 1778 B9R0.2 C#CCCCOCC(C)C 34a_100000210257_100000695029 [0,1,0,0,0,0|2,0,1]=4 1779 B9R0.2 C#CCCCOCC(C)C 34a_100000215630_100000210624 [0,1,0,0,0,0|2,0,1]=4 1780 B9R0.2 C#CCCCOCC(C)C 7a_100000215630_100000210760 [0,1,0,0,0,0|2,0,1]=4 1781 B9R0.2 C#CCCCOCC(C)F 34a_100015925927_100000695029 [0,1,0,0,0,0|2,0,1]=4 1782 B9R0.2 C#CCCCOCC(C)O 34a_100000215630_100011218427 [0,1,0,0,0,0|2,0,1]=4 1783 B9R0.2 C#CCCCOCC(C)O 7a_100000215630_100011218427 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.2 C#CCCCOC[C@@H](C)Cl 34a_100016084084_100000695029 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.2 C#CCCCOC[C@@H](C)N 34a_100000737577_100000695029 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.2 C#CCCCOC[C@@H](C)O 34a_100000215630_100009817552 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.2 C#CCCCOC[C@@H](C)O 7a_100000215630_100009817552 [0,1,0,0,0,0|2,0,1]=4 1788 B9R0.2 C#CCCCSCC(=O)N 62a_100000747473_100011215417 [0,1,0,0,0,0|1,0,2]=4 1789 B9R0.2 C#CCCCSCC(=O)N 62a_100011215417_100000747473 [0,1,0,0,0,0|1,0,2]=4 1790 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100011215417_100020667443 [0,1,0,0,0,0|1,0,2]=4 1791 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100020667443_100011215417 [0,1,0,0,0,0|1,0,2]=4 1792 B9R0.2 C#CCCCSCC(C)C 62a_100000210624_100011215417 [0,1,0,0,0,0|2,0,1]=4 1793 B9R0.2 C#CCCCSCC(C)C 62a_100011215417_100000210760 [0,1,0,0,0,0|2,0,1]=4 1794 B9R0.2 C#CCCCSCC(C)O 62a_100011215417_100011218427 [0,1,0,0,0,0|2,0,1]=4 1795 B9R0.2 C#CCCCSCC(C)O 62a_100011218427_100011215417 [0,1,0,0,0,0|2,0,1]=4 1796 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100009817552_100011215417 [0,1,0,0,0,0|2,0,1]=4 1797 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100011215417_100009817552 [0,1,0,0,0,0|2,0,1]=4 1798 B9R0.2 C#CCCNCCC(=O)N 34a_100000755551_100000731001 [0,1,0,0,0,0|1,0,2]=4 1799 B9R0.2 C#CCCNCCC(C)C 34a_100000755551_100000210312 [0,1,0,0,0,0|2,0,1]=4 1800 B9R0.2 C#CCCNCCC(C)O 2230a_200000755665_100000688953 [0,1,0,0,0,0|2,0,1]=4 1801 B9R0.2 C#CCCNCCC(C)O 34a_100000755551_100012276601 [0,1,0,0,0,0|2,0,1]=4 1802 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,1,0,0,0,0|1,0,2]=4 1803 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,1,0,0,0,0|1,0,2]=4 1804 B9R0.2 C#CCCOCCC(=O)N 34a_100000757172_100000688953 [0,1,0,0,0,0|1,0,2]=4 1805 B9R0.2 C#CCCOCCC(=O)N 34a_100011215631_100000731001 [0,1,0,0,0,0|1,0,2]=4 1806 B9R0.2 C#CCCOCCC(=O)N 7a_100000757172_100000688953 [0,1,0,0,0,0|1,0,2]=4 1807 B9R0.2 C#CCCOCCC(C)Br 34a_100009893172_100000688953 [0,1,0,0,0,0|2,0,1]=4 1808 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [0,1,0,0,0,0|2,0,1]=4 1810 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.2 C#CCCOCCC(C)O 34a_100011215631_100012276601 [0,1,0,0,0,0|2,0,1]=4 1812 B9R0.2 C#CCCOCC[C@@H](C)N 34a_100000706166_100000688953 [0,1,0,0,0,0|2,0,1]=4 1813 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [0,1,0,0,0,0|1,0,2]=4 1814 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [0,1,0,0,0,0|1,0,2]=4 1815 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [0,1,0,0,0,0|1,0,2]=4 1816 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [0,1,0,0,0,0|1,0,2]=4 1817 B9R0.2 C#CCCSCCC(C)C 62a_100000210312_100000688953 [0,1,0,0,0,0|2,0,1]=4 1818 B9R0.2 C#CCCSCCC(C)C 62a_100000688953_100000210312 [0,1,0,0,0,0|2,0,1]=4 1819 B9R0.2 C#CCCSCCC(C)O 62a_100000688953_100012276601 [0,1,0,0,0,0|2,0,1]=4 1820 B9R0.2 C#CCCSCCC(C)O 62a_100012276601_100000688953 [0,1,0,0,0,0|2,0,1]=4 1821 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [0,1,0,0,0,0|1,0,2]=4 1822 B9R0.2 C#CCNCCCC(=O)N 34a_100000212058_100102525003 [0,1,0,0,0,0|1,0,2]=4 1823 B9R0.2 C#CCNCCCC(=O)N 34a_100000739312_100000184674 [0,1,0,0,0,0|1,0,2]=4 1824 B9R0.2 C#CCNCCCC(C)C 2230a_200000737386_100000038162 [0,1,0,0,0,0|2,0,1]=4 1825 B9R0.2 C#CCNCCCC(C)C 34a_100000212058_100011214892 [0,1,0,0,0,0|2,0,1]=4 1826 B9R0.2 C#CCNCCCC(C)C 34a_200000737386_100000184674 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.2 C#CCNCCCC(C)O 34a_100000212058_200000718107 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,1,0,0,0,0|1,0,2]=4 1829 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,1,0,0,0,0|1,0,2]=4 1830 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,1,0,0,0,0|1,0,2]=4 1831 B9R0.2 C#CCOCCCC(=O)N 34a_100000210247_100102525003 [0,1,0,0,0,0|1,0,2]=4 1832 B9R0.2 C#CCOCCCC(C)C 34a_100000210247_100011214892 [0,1,0,0,0,0|2,0,1]=4 1833 B9R0.2 C#CCOCCCC(C)C 34a_100000210774_100000184674 [0,1,0,0,0,0|2,0,1]=4 1834 B9R0.2 C#CCOCCCC(C)C 7a_100000210774_100000038162 [0,1,0,0,0,0|2,0,1]=4 1835 B9R0.2 C#CCOCCCC(C)O 34a_100000210247_200000718107 [0,1,0,0,0,0|2,0,1]=4 1836 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [0,1,0,0,0,0|1,0,2]=4 1837 B9R0.2 C#CCSCCCC(=O)N 62a_100000038162_100102525003 [0,1,0,0,0,0|1,0,2]=4 1838 B9R0.2 C#CCSCCCC(C)C 62a_100000038162_100011214892 [0,1,0,0,0,0|2,0,1]=4 1839 B9R0.2 C#CCSCCCC(C)O 62a_100000038162_200000718107 [0,1,0,0,0,0|2,0,1]=4 1840 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [0,1,0,0,0,0|1,0,2]=4 1841 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [0,1,0,0,0,0|1,0,2]=4 1842 B9R0.2 C/C=C/CCOCC(C)C 34a_100016278192_100000210624 [0,1,0,0,0,0|2,0,1]=4 1843 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [0,1,0,0,0,0|2,0,1]=4 1844 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [0,1,0,0,0,0|2,0,1]=4 1845 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,1,0,0,0,0|1,0,2]=4 1846 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,1,0,0,0,0|1,0,2]=4 1847 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [0,1,0,0,0,0|1,0,2]=4 1848 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [0,1,0,0,0,0|1,0,2]=4 1849 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [0,1,0,0,0,0|1,0,2]=4 1850 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [0,1,0,0,0,0|2,0,1]=4 1851 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [0,1,0,0,0,0|2,0,1]=4 1852 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [0,1,0,0,0,0|2,0,1]=4 1853 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [0,1,0,0,0,0|2,0,1]=4 1854 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [0,1,0,0,0,0|2,0,1]=4 1855 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [0,1,0,0,0,0|2,0,1]=4 1856 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,1,0,0,0,0|1,0,2]=4 1857 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,1,0,0,0,0|1,0,2]=4 1858 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [0,1,0,0,0,0|1,0,2]=4 1859 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [0,1,0,0,0,0|1,0,2]=4 1860 B9R0.2 C/C=C/CSCCC(C)C 62a_100000210312_100102629194 [0,1,0,0,0,0|2,0,1]=4 1861 B9R0.2 C/C=C/CSCCC(C)C 62a_100102629194_100000210312 [0,1,0,0,0,0|2,0,1]=4 1862 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [0,1,0,0,0,0|2,0,1]=4 1863 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [0,1,0,0,0,0|2,0,1]=4 1864 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,1,0,0,0,0|2,0,0]=3 1865 B9R0.2 C=C(Br)CCOCCCF 34a_100009813270_100011934791 [0,1,0,0,0,0|3,0,0]=4 1866 B9R0.2 C=C(Br)CCOCCCO 34a_100009813270_100000230001 [0,1,0,0,0,0|3,0,0]=4 1867 B9R0.2 C=C(Br)CCOCCOC 34a_100009813270_100011201679 [0,1,0,0,0,0|3,0,0]=4 1868 B9R0.2 C=C(Br)CCOCCSC 34a_100009813270_100000212216 [0,1,0,0,0,0|3,0,0]=4 1869 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,0,0,0,0|2,0,0]=3 1870 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,0,0,0,0|2,0,0]=3 1871 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,1,0,0,0,0|3,0,0]=4 1872 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,1,0,0,0,0|3,0,0]=4 1873 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,1,0,0,0,0|3,0,0]=4 1874 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,1,0,0,0,0|3,0,0]=4 1875 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,1,0,0,0,0|3,0,0]=4 1876 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,0,0,0,0|2,0,0]=3 1877 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,0,0,0,0|2,0,0]=3 1878 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,0,0,0,0|2,0,0]=3 1879 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,1,0,0,0,0|3,0,0]=4 1880 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,1,0,0,0,0|3,0,0]=4 1881 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,1,0,0,0,0|3,0,0]=4 1882 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,1,0,0,0,0|3,0,0]=4 1883 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,1,0,0,0,0|3,0,0]=4 1884 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,1,0,0,0,0|3,0,0]=4 1885 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,1,0,0,0,0|3,0,0]=4 1886 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,1,0,0,0,0|3,0,0]=4 1887 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,1,0,0,0,0|3,0,0]=4 1888 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,1,0,0,0,0|3,0,0]=4 1889 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,0,0,0,0|2,0,0]=3 1890 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,0,0,0,0|2,0,0]=3 1891 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,1,0,0,0,0|3,0,0]=4 1892 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,1,0,0,0,0|3,0,0]=4 1893 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,1,0,0,0,0|3,0,0]=4 1894 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,1,0,0,0,0|3,0,0]=4 1895 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,1,0,0,0,0|3,0,0]=4 1896 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,1,0,0,0,0|3,0,0]=4 1897 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,1,0,0,0,0|3,0,0]=4 1898 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,1,0,0,0,0|3,0,0]=4 1899 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [0,1,0,0,0,0|3,0,0]=4 1900 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [0,1,0,0,0,0|3,0,0]=4 1901 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,0,0,0,0|2,0,0]=3 1902 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,1,0,0,0,0|3,0,0]=4 1903 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,1,0,0,0,0|3,0,0]=4 1904 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,1,0,0,0,0|3,0,0]=4 1905 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,1,0,0,0,0|3,0,0]=4 1906 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [0,1,0,0,0,0|3,0,0]=4 1907 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [0,1,0,0,0,0|3,0,0]=4 1908 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [0,1,0,0,0,0|3,0,0]=4 1909 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,1,0,0,0,0|3,0,0]=4 1910 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,0,0,0,0|2,0,0]=3 1911 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,0,0,0,0|2,0,0]=3 1912 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,0,0,0,0|2,0,0]=3 1913 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,1,0,0,0,0|3,0,0]=4 1914 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,1,0,0,0,0|3,0,0]=4 1915 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,1,0,0,0,0|3,0,0]=4 1916 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,1,0,0,0,0|3,0,0]=4 1917 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,1,0,0,0,0|3,0,0]=4 1918 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,1,0,0,0,0|3,0,0]=4 1919 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,1,0,0,0,0|3,0,0]=4 1920 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,1,0,0,0,0|3,0,0]=4 1921 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,1,0,0,0,0|3,0,0]=4 1922 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,1,0,0,0,0|3,0,0]=4 1923 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,1,0,0,0,0|3,0,0]=4 1924 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,1,0,0,0,0|3,0,0]=4 1925 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,1,0,0,0,0|3,0,0]=4 1926 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,1,0,0,0,0|3,0,0]=4 1927 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,1,0,0,0,0|3,0,0]=4 1928 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,1,0,0,0,0|3,0,0]=4 1929 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [0,1,0,0,0,0|3,0,0]=4 1930 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [0,1,0,0,0,0|3,0,0]=4 1931 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [0,1,0,0,0,0|3,0,0]=4 1932 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [0,1,0,0,0,0|1,0,1]=3 1933 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [0,1,0,0,0,0|1,0,1]=3 1934 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,0,0,0,0|2,0,0]=3 1935 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,0,0,0,0|2,0,0]=3 1936 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,1,0,0,0,0|3,0,0]=4 1937 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,1,0,0,0,0|3,0,0]=4 1938 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,1,0,0,0,0|3,0,0]=4 1939 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,1,0,0,0,0|3,0,0]=4 1940 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,1,0,0,0,0|3,0,0]=4 1941 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,1,0,0,0,0|3,0,0]=4 1942 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [0,1,0,0,0,0|3,0,0]=4 1943 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [0,1,0,0,0,0|3,0,0]=4 1944 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,1,0,0,0,0|3,0,0]=4 1945 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,1,0,0,0,0|3,0,0]=4 1946 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,1,0,0,0,0|2,0,0]=3 1947 B9R0.2 C=C(F)CNCCCCO 2230a_100000750430_100009893438 [0,1,0,0,0,0|3,0,0]=4 1948 B9R0.2 C=C(F)CNCCCCO 34a_100000750430_100009893438 [0,1,0,0,0,0|3,0,0]=4 1949 B9R0.2 C=C(F)CNCCCOC 34a_100150723488_100009893438 [0,1,0,0,0,0|3,0,0]=4 1950 B9R0.2 C=C(F)CNCCCSC 2230a_100000749238_100009893438 [0,1,0,0,0,0|3,0,0]=4 1951 B9R0.2 C=C(F)CNCCOCC 2230a_102516460346_100009893438 [0,1,0,0,0,0|3,0,0]=4 1952 B9R0.2 C=C(F)CNCCOCC 34a_102516460346_100009893438 [0,1,0,0,0,0|3,0,0]=4 1953 B9R0.2 C=C(F)CNCCSCC 2230a_100000106463_100009893438 [0,1,0,0,0,0|3,0,0]=4 1954 B9R0.2 C=C(F)COCCCCBr 34a_100011216708_100009893438 [0,1,0,0,0,0|3,0,0]=4 1955 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,0,0,0,0|2,0,0]=3 1956 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,0,0,0,0|2,0,0]=3 1957 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,0,0,0,0|2,0,0]=3 1958 B9R0.2 C=C(F)COCCCCCl 34a_100000210776_100009893438 [0,1,0,0,0,0|3,0,0]=4 1959 B9R0.2 C=C(F)COCCCCCl 7a_100000210776_100000042424 [0,1,0,0,0,0|3,0,0]=4 1960 B9R0.2 C=C(F)COCCCCF 34a_100011995726_100009893438 [0,1,0,0,0,0|3,0,0]=4 1961 B9R0.2 C=C(F)COCCCCF 34a_200010262243_100000729493 [0,1,0,0,0,0|3,0,0]=4 1962 B9R0.2 C=C(F)COCCCCF 7a_100011995726_100000042424 [0,1,0,0,0,0|3,0,0]=4 1963 B9R0.2 C=C(F)COCCCCI 34a_200012148704_100009893438 [0,1,0,0,0,0|3,0,0]=4 1964 B9R0.2 C=C(F)COCCCCN 34a_100000750430_100009893438 [0,1,0,0,0,0|3,0,0]=4 1965 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [0,1,0,0,0,0|3,0,0]=4 1966 B9R0.2 C=C(F)COCCCNC 34a_100000213112_100009893438 [0,1,0,0,0,0|3,0,0]=4 1967 B9R0.2 C=C(F)COCCCOC 34a_100000740835_100009893438 [0,1,0,0,0,0|3,0,0]=4 1968 B9R0.2 C=C(F)COCCCOC 34a_200010262243_100000740836 [0,1,0,0,0,0|3,0,0]=4 1969 B9R0.2 C=C(F)COCCCSC 34a_100000690336_100009893438 [0,1,0,0,0,0|3,0,0]=4 1970 B9R0.2 C=C(F)COCCCSC 7a_100000690336_100000042424 [0,1,0,0,0,0|3,0,0]=4 1971 B9R0.2 C=C(F)COCCOCC 34a_100000210136_100009893438 [0,1,0,0,0,0|3,0,0]=4 1972 B9R0.2 C=C(F)COCCOCC 34a_200010262243_100000210147 [0,1,0,0,0,0|3,0,0]=4 1973 B9R0.2 C=C(F)COCCOCC 7a_100000210136_100000042424 [0,1,0,0,0,0|3,0,0]=4 1974 B9R0.2 C=C(F)COCCSCC 34a_100000212035_100009893438 [0,1,0,0,0,0|3,0,0]=4 1975 B9R0.2 C=C(F)COCCSCC 34a_200010262243_100000757381 [0,1,0,0,0,0|3,0,0]=4 1976 B9R0.2 C=C(F)COCCSCC 7a_100000212035_100000042424 [0,1,0,0,0,0|3,0,0]=4 1977 B9R0.2 C=C(F)CSCCCC=O 62a_100000042424_200011292268 [0,1,0,0,0,0|1,0,2]=4 1978 B9R0.2 C=C(F)CSCCCC=O 62a_200011292268_100000042424 [0,1,0,0,0,0|1,0,2]=4 1979 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,1,0,0,0,0|2,0,0]=3 1980 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,1,0,0,0,0|2,0,0]=3 1981 B9R0.2 C=C(F)CSCCCCF 62a_100000042424_100000729493 [0,1,0,0,0,0|3,0,0]=4 1982 B9R0.2 C=C(F)CSCCCCF 62a_100000729493_100000042424 [0,1,0,0,0,0|3,0,0]=4 1983 B9R0.2 C=C(F)CSCCCCO 62a_100000042424_100000210776 [0,1,0,0,0,0|3,0,0]=4 1984 B9R0.2 C=C(F)CSCCCCO 62a_100000210776_100000042424 [0,1,0,0,0,0|3,0,0]=4 1985 B9R0.2 C=C(F)CSCCCOC 62a_100000042424_100000709357 [0,1,0,0,0,0|3,0,0]=4 1986 B9R0.2 C=C(F)CSCCCOC 62a_100000709357_100000042424 [0,1,0,0,0,0|3,0,0]=4 1987 B9R0.2 C=C(F)CSCCOCC 62a_100000042424_100011215890 [0,1,0,0,0,0|3,0,0]=4 1988 B9R0.2 C=C(F)CSCCOCC 62a_100000210147_100000042424 [0,1,0,0,0,0|3,0,0]=4 1989 B9R0.2 C=C(F)CSCCSCC 62a_100000042424_100000757381 [0,1,0,0,0,0|3,0,0]=4 1990 B9R0.2 C=C(F)CSCCSCC 62a_100000757381_100000042424 [0,1,0,0,0,0|3,0,0]=4 1991 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,0,0,0,0|0,0,2]=3 1992 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,0,0,0,0|0,0,2]=3 1993 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,0,0,0,0|0,0,2]=3 1994 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [0,1,0,0,0,0|2,0,0]=3 1995 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [0,1,0,0,0,0|2,0,0]=3 1996 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 1997 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 1998 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 1999 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,1,0,0,0,0|1,0,2]=4 2000 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [0,1,0,0,0,0|2,0,0]=3 2001 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [0,1,0,0,0,0|2,0,0]=3 2002 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [0,1,0,0,0,0|2,0,0]=3 2003 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [0,1,0,0,0,0|2,0,0]=3 2004 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [0,1,0,0,0,0|2,0,0]=3 2005 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [0,1,0,0,0,0|2,0,0]=3 2006 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [0,1,0,0,0,0|2,0,0]=3 2007 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [0,1,0,0,0,0|2,0,0]=3 2008 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [0,1,0,0,0,0|2,0,0]=3 2009 B9R0.2 C=CCCCNCC(=C)C 2230a_100000700776_100000748629 [0,1,0,0,0,0|2,0,1]=4 2010 B9R0.2 C=CCCCNCC(=C)C 34a_100000700776_100000748629 [0,1,0,0,0,0|2,0,1]=4 2011 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [0,1,0,0,0,0|1,0,2]=4 2012 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [0,1,0,0,0,0|1,0,2]=4 2013 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [0,1,0,0,0,0|1,0,2]=4 2014 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,1,0,0,0,0|1,0,2]=4 2015 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [0,1,0,0,0,0|1,0,2]=4 2016 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [0,1,0,0,0,0|2,0,0]=3 2017 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [0,1,0,0,0,0|2,0,0]=3 2018 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [0,1,0,0,0,0|2,0,0]=3 2019 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [0,1,0,0,0,0|2,0,0]=3 2020 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [0,1,0,0,0,0|2,0,0]=3 2021 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [0,1,0,0,0,0|2,0,0]=3 2022 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [0,1,0,0,0,0|2,0,0]=3 2023 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [0,1,0,0,0,0|2,0,0]=3 2024 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [0,1,0,0,0,0|2,0,0]=3 2025 B9R0.2 C=CCCCNCC(F)F 2230a_100000700776_100011934356 [0,1,0,0,0,0|3,0,0]=4 2026 B9R0.2 C=CCCCNCC(F)F 34a_100000700776_100011934356 [0,1,0,0,0,0|3,0,0]=4 2027 B9R0.2 C=CCCCNCC(F)F 34a_100000765723_100000757094 [0,1,0,0,0,0|3,0,0]=4 2028 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [0,1,0,0,0,0|2,0,0]=3 2029 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [0,1,0,0,0,0|2,0,0]=3 2030 B9R0.2 C=CCCCOCC(=C)C 34a_100000210245_100000757094 [0,1,0,0,0,0|2,0,1]=4 2031 B9R0.2 C=CCCCOCC(=C)C 34a_100000758997_100000748629 [0,1,0,0,0,0|2,0,1]=4 2032 B9R0.2 C=CCCCOCC(=C)C 7a_100000758997_100000748629 [0,1,0,0,0,0|2,0,1]=4 2033 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,1,0,0,0,0|1,0,2]=4 2034 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,1,0,0,0,0|1,0,2]=4 2035 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,1,0,0,0,0|1,0,2]=4 2036 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,1,0,0,0,0|1,0,2]=4 2037 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [0,1,0,0,0,0|2,0,0]=3 2038 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [0,1,0,0,0,0|2,0,0]=3 2039 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [0,1,0,0,0,0|2,0,0]=3 2040 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [0,1,0,0,0,0|2,0,0]=3 2041 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [0,1,0,0,0,0|2,0,0]=3 2042 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [0,1,0,0,0,0|2,0,0]=3 2043 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [0,1,0,0,0,0|2,0,0]=3 2044 B9R0.2 C=CCCCOCC(F)F 34a_100000743014_100000757094 [0,1,0,0,0,0|3,0,0]=4 2045 B9R0.2 C=CCCCOCC(F)F 34a_100000758997_100011934356 [0,1,0,0,0,0|3,0,0]=4 2046 B9R0.2 C=CCCCOCC(F)F 7a_100000758997_100011934356 [0,1,0,0,0,0|3,0,0]=4 2047 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [0,1,0,0,0,0|2,0,0]=3 2048 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [0,1,0,0,0,0|2,0,0]=3 2049 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [0,1,0,0,0,0|2,0,0]=3 2050 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [0,1,0,0,0,0|2,0,0]=3 2051 B9R0.2 C=CCCCSCC(=C)C 62a_100000748629_100000757094 [0,1,0,0,0,0|2,0,1]=4 2052 B9R0.2 C=CCCCSCC(=C)C 62a_100011713584_100000211660 [0,1,0,0,0,0|2,0,1]=4 2053 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,1,0,0,0,0|1,0,2]=4 2054 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,1,0,0,0,0|1,0,2]=4 2055 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,1,0,0,0,0|1,0,2]=4 2056 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,1,0,0,0,0|1,0,2]=4 2057 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [0,1,0,0,0,0|2,0,0]=3 2058 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [0,1,0,0,0,0|2,0,0]=3 2059 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [0,1,0,0,0,0|2,0,0]=3 2060 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [0,1,0,0,0,0|2,0,0]=3 2061 B9R0.2 C=CCCCSCC(F)F 62a_100011713584_100011934356 [0,1,0,0,0,0|3,0,0]=4 2062 B9R0.2 C=CCCCSCC(F)F 62a_100011934356_100000757094 [0,1,0,0,0,0|3,0,0]=4 2063 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [0,1,0,0,0,0|2,0,0]=3 2064 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [0,1,0,0,0,0|2,0,0]=3 2065 B9R0.2 C=CCCNCCC(=C)C 2230a_100015191253_100000730704 [0,1,0,0,0,0|2,0,1]=4 2066 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,1,0,0,0,0|1,0,2]=4 2067 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [0,1,0,0,0,0|2,0,0]=3 2068 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [0,1,0,0,0,0|2,0,0]=3 2069 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [0,1,0,0,0,0|2,0,0]=3 2070 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [0,1,0,0,0,0|2,0,0]=3 2071 B9R0.2 C=CCCNCOC(C)C 2230a_100015191253_100000709892 [0,1,0,0,0,0|3,0,0]=4 2072 B9R0.2 C=CCCOCCC(=C)C 34a_100000764851_100000754431 [0,1,0,0,0,0|2,0,1]=4 2073 B9R0.2 C=CCCOCCC(=C)C 34a_100011205117_100000730704 [0,1,0,0,0,0|2,0,1]=4 2074 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,1,0,0,0,0|1,0,2]=4 2075 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,1,0,0,0,0|1,0,2]=4 2076 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [0,1,0,0,0,0|1,0,2]=4 2077 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [0,1,0,0,0,0|1,0,2]=4 2078 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [0,1,0,0,0,0|1,0,2]=4 2079 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [0,1,0,0,0,0|2,0,0]=3 2080 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,1,0,0,0,0|2,0,0]=3 2081 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,1,0,0,0,0|2,0,0]=3 2082 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,1,0,0,0,0|2,0,0]=3 2083 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [0,1,0,0,0,0|2,0,0]=3 2084 B9R0.2 C=CCCOCCC(F)F 34a_100103093639_100000754431 [0,1,0,0,0,0|3,0,0]=4 2085 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [0,1,0,0,0,0|2,0,0]=3 2086 B9R0.2 C=CCCOCOC(C)C 34a_100011205117_100000709892 [0,1,0,0,0,0|3,0,0]=4 2087 B9R0.2 C=CCCSCCC(=C)C 62a_100000730704_100000754431 [0,1,0,0,0,0|2,0,1]=4 2088 B9R0.2 C=CCCSCCC(=C)C 62a_100000754431_100000730704 [0,1,0,0,0,0|2,0,1]=4 2089 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,1,0,0,0,0|1,0,2]=4 2090 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,1,0,0,0,0|1,0,2]=4 2091 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,1,0,0,0,0|1,0,2]=4 2092 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,1,0,0,0,0|1,0,2]=4 2093 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [0,1,0,0,0,0|2,0,0]=3 2094 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [0,1,0,0,0,0|2,0,0]=3 2095 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [0,1,0,0,0,0|2,0,0]=3 2096 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [0,1,0,0,0,0|2,0,0]=3 2097 B9R0.2 C=CCCSCCN(C)C 62a_100000754431_100000755713 [0,1,0,0,0,0|3,0,0]=4 2098 B9R0.2 C=CCCSCOC(C)C 62a_100000709892_100000754431 [0,1,0,0,0,0|3,0,0]=4 2099 B9R0.2 C=CCCSCOC(C)C 62a_100000754431_100000709892 [0,1,0,0,0,0|3,0,0]=4 2100 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [0,1,0,0,0,0|1,0,2]=4 2101 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [0,1,0,0,0,0|2,0,0]=3 2102 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [0,1,0,0,0,0|2,0,0]=3 2103 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [0,1,0,0,0,0|2,0,0]=3 2104 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [0,1,0,0,0,0|2,0,0]=3 2105 B9R0.2 C=CCNCCCS(=O)C 2230a_200000753449_100000210623 [0,1,0,0,0,0|3,0,0]=4 2106 B9R0.2 C=CCNCCOC(C)C 2230a_100000701111_100000210623 [0,1,0,0,0,0|3,0,0]=4 2107 B9R0.2 C=CCNCCOC(C)C 2230a_100020586998_100000211751 [0,1,0,0,0,0|3,0,0]=4 2108 B9R0.2 C=CCNCCOC(C)C 34a_100000701111_100015514636 [0,1,0,0,0,0|3,0,0]=4 2109 B9R0.2 C=CCNCCSC(C)C 2230a_100000731138_100000210623 [0,1,0,0,0,0|3,0,0]=4 2110 B9R0.2 C=CCNCCSC(C)C 2230a_100020586998_100000730970 [0,1,0,0,0,0|3,0,0]=4 2111 B9R0.2 C=CCNCCSC(C)C 34a_100000731138_100015514636 [0,1,0,0,0,0|3,0,0]=4 2112 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,1,0,0,0,0|1,0,2]=4 2113 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,1,0,0,0,0|1,0,2]=4 2114 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,1,0,0,0,0|1,0,2]=4 2115 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,1,0,0,0,0|1,0,2]=4 2116 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,1,0,0,0,0|2,0,0]=3 2117 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,1,0,0,0,0|2,0,0]=3 2118 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,1,0,0,0,0|2,0,0]=3 2119 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [0,1,0,0,0,0|2,0,0]=3 2120 B9R0.2 C=CCOCCNC(C)C 34a_100000224655_100015514636 [0,1,0,0,0,0|3,0,0]=4 2121 B9R0.2 C=CCOCCOC(C)C 34a_100000037705_100000210206 [0,1,0,0,0,0|3,0,0]=4 2122 B9R0.2 C=CCOCCOC(C)C 34a_100000211219_100015514636 [0,1,0,0,0,0|3,0,0]=4 2123 B9R0.2 C=CCOCCOC(C)C 34a_200000210373_100000211751 [0,1,0,0,0,0|3,0,0]=4 2124 B9R0.2 C=CCOCCOC(C)C 7a_100000037705_100000210206 [0,1,0,0,0,0|3,0,0]=4 2125 B9R0.2 C=CCOCCOC(C)C 7a_100000211219_100015514636 [0,1,0,0,0,0|3,0,0]=4 2126 B9R0.2 C=CCOCCSC(C)C 34a_200000210373_100000730970 [0,1,0,0,0,0|3,0,0]=4 2127 B9R0.2 C=CCOCCSC(C)C 34a_200011212901_100015514636 [0,1,0,0,0,0|3,0,0]=4 2128 B9R0.2 C=CCOCCSC(C)C 7a_200011212901_100015514636 [0,1,0,0,0,0|3,0,0]=4 2129 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,1,0,0,0,0|1,0,2]=4 2130 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,1,0,0,0,0|1,0,2]=4 2131 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,1,0,0,0,0|1,0,2]=4 2132 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,1,0,0,0,0|1,0,2]=4 2133 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [0,1,0,0,0,0|2,0,0]=3 2134 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [0,1,0,0,0,0|2,0,0]=3 2135 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [0,1,0,0,0,0|2,0,0]=3 2136 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [0,1,0,0,0,0|2,0,0]=3 2137 B9R0.2 C=CCSCCCN(C)C 62a_100000210623_100000757444 [0,1,0,0,0,0|3,0,0]=4 2138 B9R0.2 C=CCSCCOC(C)C 62a_100000210623_100000211751 [0,1,0,0,0,0|3,0,0]=4 2139 B9R0.2 C=CCSCCOC(C)C 62a_100000211751_100000210623 [0,1,0,0,0,0|3,0,0]=4 2140 B9R0.2 C=CCSCCSC(C)C 62a_100000210623_100000730970 [0,1,0,0,0,0|3,0,0]=4 2141 B9R0.2 C=CCSCCSC(C)C 62a_100000730970_100000210623 [0,1,0,0,0,0|3,0,0]=4 2142 B9R0.2 C=COCCCNC(C)C 2230a_100000210767_100000210206 [0,1,0,0,0,0|3,0,0]=4 2143 B9R0.2 C=COCCCNC(C)C 34a_100000210767_100000210206 [0,1,0,0,0,0|3,0,0]=4 2144 B9R0.2 C=COCCNCC(C)C 2230a_100000210953_100000039644 [0,1,0,0,0,0|3,0,0]=4 2145 B9R0.2 C=COCCNCC(C)C 34a_100000210953_100000039644 [0,1,0,0,0,0|3,0,0]=4 2146 B9R0.2 C=COCCNCC(C)O 2230a_100000210904_100000039644 [0,1,0,0,0,0|3,0,0]=4 2147 B9R0.2 C=COCCNCC(C)O 34a_100000210904_100000039644 [0,1,0,0,0,0|3,0,0]=4 2148 B9R0.2 C=COCCOCC(C)Br 34a_100012180447_100000039644 [0,1,0,0,0,0|3,0,0]=4 2149 B9R0.2 C=COCCOCC(C)C 34a_100000033082_100000210624 [0,1,0,0,0,0|3,0,0]=4 2150 B9R0.2 C=COCCOCC(C)C 34a_100000210257_100000039644 [0,1,0,0,0,0|3,0,0]=4 2151 B9R0.2 C=COCCOCC(C)F 34a_100015925927_100000039644 [0,1,0,0,0,0|3,0,0]=4 2152 B9R0.2 C=COCCOCC(C)O 34a_100000033082_100011218427 [0,1,0,0,0,0|3,0,0]=4 2153 B9R0.2 C=COCCOC[C@@H](C)Cl 34a_100016084084_100000039644 [0,1,0,0,0,0|3,0,0]=4 2154 B9R0.2 C=COCCOC[C@@H](C)N 34a_100000737577_100000039644 [0,1,0,0,0,0|3,0,0]=4 2155 B9R0.2 C=COCCOC[C@@H](C)O 34a_100000033082_100009817552 [0,1,0,0,0,0|3,0,0]=4 2156 B9R0.2 C=COCCSCC(C)C 62a_100000039644_100000210760 [0,1,0,0,0,0|3,0,0]=4 2157 B9R0.2 C=COCCSCC(C)C 62a_100000210624_100000039644 [0,1,0,0,0,0|3,0,0]=4 2158 B9R0.2 C=COCCSCC(C)O 62a_100000039644_100011218427 [0,1,0,0,0,0|3,0,0]=4 2159 B9R0.2 C=COCCSCC(C)O 62a_100011218427_100000039644 [0,1,0,0,0,0|3,0,0]=4 2160 B9R0.2 C=COCCSC[C@@H](C)O 62a_100000039644_100009817552 [0,1,0,0,0,0|3,0,0]=4 2161 B9R0.2 C=COCCSC[C@@H](C)O 62a_100009817552_100000039644 [0,1,0,0,0,0|3,0,0]=4 2162 B9R0.2 CC#CCCOCC(=O)N 34a_100000750427_100000187820 [0,1,0,0,0,0|1,0,2]=4 2163 B9R0.2 CC#CCCOCC(=O)[O-] 34a_100000750427_100020667443 [0,1,0,0,0,0|1,0,2]=4 2164 B9R0.2 CC#CCNCCC(=O)N 2230a_100000685387_100000744528 [0,1,0,0,0,0|1,0,2]=4 2165 B9R0.2 CC#CCNCCC(=O)N 34a_100000685387_100000731001 [0,1,0,0,0,0|1,0,2]=4 2166 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [0,1,0,0,0,0|1,0,2]=4 2167 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [0,1,0,0,0,0|1,0,2]=4 2168 B9R0.2 CC#CCOCCC(=O)N 34a_100000757172_100000748600 [0,1,0,0,0,0|1,0,2]=4 2169 B9R0.2 CC#CCOCCC(=O)N 34a_100000761923_100000731001 [0,1,0,0,0,0|1,0,2]=4 2170 B9R0.2 CC#CCOCCC(=O)N 7a_100000757172_100000748600 [0,1,0,0,0,0|1,0,2]=4 2171 B9R0.2 CC#CCSCCC(=O)C 62a_100000053229_100000748600 [0,1,0,0,0,0|1,0,2]=4 2172 B9R0.2 CC#CCSCCC(=O)C 62a_100000748600_100000053229 [0,1,0,0,0,0|1,0,2]=4 2173 B9R0.2 CC#CCSCCC(=O)N 62a_100000744528_100000748600 [0,1,0,0,0,0|1,0,2]=4 2174 B9R0.2 CC#CCSCCC(=O)N 62a_100000748600_100000744528 [0,1,0,0,0,0|1,0,2]=4 2175 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [0,1,0,0,0,0|1,0,2]=4 2176 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [0,1,0,0,0,0|1,0,2]=4 2177 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,0,0,0,0|1,0,1]=3 2178 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,0,0,0,0|1,0,0]=2 2179 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|1,0,0]=2 2180 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|1,0,0]=2 2181 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,1,0,0,0,0|3,0,0]=4 2182 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,0,0,0,0|2,0,0]=3 2183 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,0,0,0,0|2,0,0]=3 2184 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,0,0,0,0|2,0,0]=3 2185 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|2,0,0]=3 2186 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,1,0,0,0,0|2,0,1]=4 2187 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,1,0,0,0,0|1,0,1]=3 2188 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,1,0,0,0,0|1,0,1]=3 2189 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,0,0,0,0|2,0,0]=3 2190 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,0,0,0,0|2,0,0]=3 2191 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,0,0,0,0|2,0,0]=3 2192 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,0,0,0,0|2,0,0]=3 2193 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|2,0,0]=3 2194 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|2,0,0]=3 2195 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [0,1,0,0,0,0|2,0,1]=4 2196 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [0,1,0,0,0,0|2,0,1]=4 2197 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,1,0,0,0,0|1,0,1]=3 2198 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,1,0,0,0,0|1,0,1]=3 2199 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,0,0,0,0|2,0,0]=3 2200 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,0,0,0,0|2,0,0]=3 2201 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|2,0,0]=3 2202 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|2,0,0]=3 2203 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,1,0,0,0,0|2,0,1]=4 2204 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|2,0,0]=3 2205 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|2,0,0]=3 2206 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|2,0,0]=3 2207 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|2,0,0]=3 2208 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [0,1,0,0,0,0|2,0,1]=4 2209 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [0,1,0,0,0,0|2,0,1]=4 2210 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,0,0,0,0|2,0,0]=3 2211 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,0,0,0,0|2,0,0]=3 2212 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,0,0,0,0|2,0,0]=3 2213 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,0,0,0,0|2,0,0]=3 2214 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,0,0,0,0|2,0,0]=3 2215 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,0,0,0,0|2,0,0]=3 2216 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 2217 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 2218 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 2219 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,1,0,0,0,0|2,0,1]=4 2220 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,0,0,0,0|2,0,0]=3 2221 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,0,0,0,0|2,0,0]=3 2222 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,0,0,0,0|2,0,0]=3 2223 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,1,0,0,0,0|3,0,0]=4 2224 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,1,0,0,0,0|3,0,0]=4 2225 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [0,1,0,0,0,0|2,0,1]=4 2226 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,1,0,0,0,0|3,0,0]=4 2227 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,0,0,0,0|3,0,0]=4 2228 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,0,0,0,0|3,0,0]=4 2229 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,1,0,0,0,0|2,0,1]=4 2230 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,1,0,0,0,0|3,0,0]=4 2231 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,1,0,0,0,0|3,0,0]=4 2232 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,1,0,0,0,0|3,0,0]=4 2233 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [0,1,0,0,0,0|2,0,1]=4 2234 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [0,1,0,0,0,0|2,0,1]=4 2235 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,1,0,0,0,0|3,0,0]=4 2236 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,1,0,0,0,0|3,0,0]=4 2237 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,1,0,0,0,0|3,0,0]=4 2238 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,1,0,0,0,0|3,0,0]=4 2239 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,1,0,0,0,0|3,0,0]=4 2240 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,1,0,0,0,0|3,0,0]=4 2241 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,0,0,0,0|2,0,0]=3 2242 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,0,0,0,0|2,0,0]=3 2243 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,0,0,0,0|2,0,0]=3 2244 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,0,0,0,0|2,0,0]=3 2245 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,1,0,0,0,0|3,0,0]=4 2246 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,1,0,0,0,0|3,0,0]=4 2247 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,1,0,0,0,0|3,0,0]=4 2248 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,0,0,0,0|3,0,0]=4 2249 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,1,0,0,0,0|3,0,0]=4 2250 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,1,0,0,0,0|3,0,0]=4 2251 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,1,0,0,0,0|3,0,0]=4 2252 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,1,0,0,0,0|3,0,0]=4 2253 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,1,0,0,0,0|2,0,1]=4 2254 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,1,0,0,0,0|2,0,1]=4 2255 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,1,0,0,0,0|3,0,0]=4 2256 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,1,0,0,0,0|3,0,0]=4 2257 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,1,0,0,0,0|3,0,0]=4 2258 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,1,0,0,0,0|3,0,0]=4 2259 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,1,0,0,0,0|3,0,0]=4 2260 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,1,0,0,0,0|3,0,0]=4 2261 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,1,0,0,0,0|3,0,0]=4 2262 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,1,0,0,0,0|3,0,0]=4 2263 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,1,0,0,0,0|3,0,0]=4 2264 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,1,0,0,0,0|3,0,0]=4 2265 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,1,0,0,0,0|3,0,0]=4 2266 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,1,0,0,0,0|3,0,0]=4 2267 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,1,0,0,0,0|3,0,0]=4 2268 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,0,0,0,0|2,0,0]=3 2269 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,0,0,0,0|2,0,0]=3 2270 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,1,0,0,0,0|3,0,0]=4 2271 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,1,0,0,0,0|3,0,0]=4 2272 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [0,1,0,0,0,0|2,0,1]=4 2273 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [0,1,0,0,0,0|1,0,2]=4 2274 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [0,1,0,0,0,0|2,0,1]=4 2275 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [0,1,0,0,0,0|1,0,2]=4 2276 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,1,0,0,0,0|2,0,0]=3 2277 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,1,0,0,0,0|2,0,0]=3 2278 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,1,0,0,0,0|2,0,0]=3 2279 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,1,0,0,0,0|2,0,0]=3 2280 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,1,0,0,0,0|2,0,0]=3 2281 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,1,0,0,0,0|2,0,0]=3 2282 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,1,0,0,0,0|2,0,1]=4 2283 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,1,0,0,0,0|2,0,1]=4 2284 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [0,1,0,0,0,0|2,0,1]=4 2285 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [0,1,0,0,0,0|2,0,1]=4 2286 B9R0.2 CC(C)CCCNCC#N 2230a_200000737386_100011215382 [0,1,0,0,0,0|2,0,1]=4 2287 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [0,1,0,0,0,0|1,0,0]=2 2288 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [0,1,0,0,0,0|1,0,0]=2 2289 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [0,1,0,0,0,0|2,0,1]=4 2290 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [0,1,0,0,0,0|2,0,1]=4 2291 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [0,1,0,0,0,0|2,0,1]=4 2292 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [0,1,0,0,0,0|1,0,2]=4 2293 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [0,1,0,0,0,0|1,0,2]=4 2294 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [0,1,0,0,0,0|1,0,2]=4 2295 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [0,1,0,0,0,0|1,0,2]=4 2296 B9R0.2 CC(C)CCCOCC#N 7a_100000210774_100011215382 [0,1,0,0,0,0|2,0,1]=4 2297 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,1,0,0,0,0|1,0,0]=2 2298 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,1,0,0,0,0|1,0,0]=2 2299 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [0,1,0,0,0,0|2,0,1]=4 2300 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [0,1,0,0,0,0|2,0,1]=4 2301 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [0,1,0,0,0,0|2,0,1]=4 2302 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [0,1,0,0,0,0|2,0,1]=4 2303 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [0,1,0,0,0,0|1,0,2]=4 2304 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [0,1,0,0,0,0|1,0,2]=4 2305 B9R0.2 CC(C)CCCSCC#N 62a_100011214892_100011215382 [0,1,0,0,0,0|2,0,1]=4 2306 B9R0.2 CC(C)CCCSCC#N 62a_100011215382_100011214892 [0,1,0,0,0,0|2,0,1]=4 2307 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,1,0,0,0,0|1,0,0]=2 2308 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,1,0,0,0,0|1,0,0]=2 2309 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [0,1,0,0,0,0|2,0,1]=4 2310 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [0,1,0,0,0,0|2,0,1]=4 2311 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [0,1,0,0,0,0|1,0,2]=4 2312 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [0,1,0,0,0,0|1,0,2]=4 2313 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [0,1,0,0,0,0|2,0,1]=4 2314 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [0,1,0,0,0,0|2,0,1]=4 2315 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [0,1,0,0,0,0|2,0,1]=4 2316 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [0,1,0,0,0,0|1,0,2]=4 2317 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [0,1,0,0,0,0|2,0,1]=4 2318 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [0,1,0,0,0,0|2,0,1]=4 2319 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [0,1,0,0,0,0|2,0,1]=4 2320 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [0,1,0,0,0,0|2,0,1]=4 2321 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [0,1,0,0,0,0|2,0,1]=4 2322 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [0,1,0,0,0,0|2,0,1]=4 2323 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,1,0,0,0,0|2,0,1]=4 2324 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,1,0,0,0,0|1,0,2]=4 2325 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,1,0,0,0,0|1,0,2]=4 2326 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [0,1,0,0,0,0|3,0,0]=4 2327 B9R0.2 CC(C)CCSCCC#N 62a_100000210312_100011215226 [0,1,0,0,0,0|2,0,1]=4 2328 B9R0.2 CC(C)CCSCCC#N 62a_100011215226_100000210312 [0,1,0,0,0,0|2,0,1]=4 2329 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [0,1,0,0,0,0|2,0,1]=4 2330 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [0,1,0,0,0,0|2,0,1]=4 2331 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [0,1,0,0,0,0|1,0,2]=4 2332 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [0,1,0,0,0,0|1,0,2]=4 2333 B9R0.2 CC(C)CNCCCC#N 2230a_100000210953_100000687738 [0,1,0,0,0,0|2,0,1]=4 2334 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [0,1,0,0,0,0|1,0,0]=2 2335 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [0,1,0,0,0,0|2,0,1]=4 2336 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [0,1,0,0,0,0|2,0,1]=4 2337 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [0,1,0,0,0,0|1,0,2]=4 2338 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [0,1,0,0,0,0|1,0,2]=4 2339 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [0,1,0,0,0,0|1,0,2]=4 2340 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [0,1,0,0,0,0|1,0,2]=4 2341 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [0,1,0,0,0,0|1,0,2]=4 2342 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [0,1,0,0,0,0|2,0,1]=4 2343 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [0,1,0,0,0,0|2,0,1]=4 2344 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [0,1,0,0,0,0|2,0,1]=4 2345 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [0,1,0,0,0,0|2,0,1]=4 2346 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [0,1,0,0,0,0|2,0,1]=4 2347 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [0,1,0,0,0,0|2,0,1]=4 2348 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [0,1,0,0,0,0|2,0,1]=4 2349 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [0,1,0,0,0,0|2,0,1]=4 2350 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [0,1,0,0,0,0|1,0,2]=4 2351 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [0,1,0,0,0,0|3,0,0]=4 2352 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [0,1,0,0,0,0|3,0,0]=4 2353 B9R0.2 CC(C)CSCCCC#N 62a_100000210624_100000687738 [0,1,0,0,0,0|2,0,1]=4 2354 B9R0.2 CC(C)CSCCCC#N 62a_100000687738_100000210760 [0,1,0,0,0,0|2,0,1]=4 2355 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,1,0,0,0,0|1,0,0]=2 2356 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,1,0,0,0,0|1,0,0]=2 2357 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [0,1,0,0,0,0|2,0,1]=4 2358 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [0,1,0,0,0,0|2,0,1]=4 2359 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [0,1,0,0,0,0|1,0,2]=4 2360 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [0,1,0,0,0,0|1,0,2]=4 2361 B9R0.2 CC(C)NCCCCC#N 2230a_100138425928_100000211819 [0,1,0,0,0,0|2,0,1]=4 2362 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,1,0,0,0,0|1,0,0]=2 2363 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [0,1,0,0,0,0|2,0,1]=4 2364 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [0,1,0,0,0,0|2,0,1]=4 2365 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [0,1,0,0,0,0|1,0,2]=4 2366 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [0,1,0,0,0,0|1,0,2]=4 2367 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [0,1,0,0,0,0|1,0,2]=4 2368 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [0,1,0,0,0,0|1,0,2]=4 2369 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [0,1,0,0,0,0|3,0,0]=4 2370 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [0,1,0,0,0,0|2,0,0]=3 2371 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [0,1,0,0,0,0|2,0,1]=4 2372 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [0,1,0,0,0,0|2,0,1]=4 2373 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [0,1,0,0,0,0|2,0,1]=4 2374 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [0,1,0,0,0,0|2,0,1]=4 2375 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [0,1,0,0,0,0|2,0,1]=4 2376 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [0,1,0,0,0,0|2,0,1]=4 2377 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [0,1,0,0,0,0|2,0,1]=4 2378 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [0,1,0,0,0,0|2,0,1]=4 2379 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,1,0,0,0,0|1,0,2]=4 2380 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [0,1,0,0,0,0|2,0,0]=3 2381 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [0,1,0,0,0,0|2,0,0]=3 2382 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [0,1,0,0,0,0|2,0,0]=3 2383 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [0,1,0,0,0,0|2,0,0]=3 2384 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [0,1,0,0,0,0|2,0,0]=3 2385 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [0,1,0,0,0,0|2,0,0]=3 2386 B9R0.2 CC(C)SCCCCC#N 62a_100000210206_100000211819 [0,1,0,0,0,0|2,0,1]=4 2387 B9R0.2 CC(C)SCCCCC#N 62a_100011219923_100000210206 [0,1,0,0,0,0|2,0,1]=4 2388 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [0,1,0,0,0,0|1,0,0]=2 2389 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [0,1,0,0,0,0|1,0,0]=2 2390 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [0,1,0,0,0,0|2,0,1]=4 2391 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [0,1,0,0,0,0|2,0,1]=4 2392 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [0,1,0,0,0,0|1,0,2]=4 2393 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [0,1,0,0,0,0|1,0,2]=4 2394 B9R0.2 CC(C)SCCNCC=O 2230a_100000731138_200015260668 [0,1,0,0,0,0|2,0,0]=3 2395 B9R0.2 CC(C)SCCNCC=O 34a_100000731138_200009817547 [0,1,0,0,0,0|2,0,0]=3 2396 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [0,1,0,0,0,0|2,0,0]=3 2397 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [0,1,0,0,0,0|2,0,0]=3 2398 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [0,1,0,0,0,0|2,0,0]=3 2399 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [0,1,0,0,0,0|2,0,0]=3 2400 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [0,1,0,0,0,0|2,0,1]=4 2401 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [0,1,0,0,0,0|1,0,2]=4 2402 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,1,0,0,0,0|2,0,1]=4 2403 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,1,0,0,0,0|1,0,2]=4 2404 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,1,0,0,0,0|1,0,2]=4 2405 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,1,0,0,0,0|2,0,1]=4 2406 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,1,0,0,0,0|2,0,1]=4 2407 B9R0.2 CC(O)CCCSCC#N 62a_100011215382_200000718107 [0,1,0,0,0,0|2,0,1]=4 2408 B9R0.2 CC(O)CCCSCC#N 62a_200000718107_100011215382 [0,1,0,0,0,0|2,0,1]=4 2409 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,1,0,0,0,0|1,0,0]=2 2410 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,1,0,0,0,0|1,0,0]=2 2411 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,1,0,0,0,0|2,0,1]=4 2412 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,1,0,0,0,0|2,0,1]=4 2413 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,1,0,0,0,0|1,0,2]=4 2414 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,1,0,0,0,0|1,0,2]=4 2415 B9R0.2 CC(O)CCNCCC#N 2230a_200000755665_100011215226 [0,1,0,0,0,0|2,0,1]=4 2416 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,1,0,0,0,0|2,0,1]=4 2417 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,1,0,0,0,0|2,0,1]=4 2418 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,1,0,0,0,0|2,0,1]=4 2419 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,1,0,0,0,0|1,0,2]=4 2420 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,1,0,0,0,0|2,0,1]=4 2421 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,1,0,0,0,0|2,0,1]=4 2422 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,1,0,0,0,0|2,0,1]=4 2423 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,1,0,0,0,0|2,0,1]=4 2424 B9R0.2 CC(O)CCOCCON 34a_100000700252_100012276601 [0,1,0,0,0,0|3,0,0]=4 2425 B9R0.2 CC(O)CCSCCC#N 62a_100011215226_100012276601 [0,1,0,0,0,0|2,0,1]=4 2426 B9R0.2 CC(O)CCSCCC#N 62a_100012276601_100011215226 [0,1,0,0,0,0|2,0,1]=4 2427 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,1,0,0,0,0|2,0,1]=4 2428 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,1,0,0,0,0|2,0,1]=4 2429 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,1,0,0,0,0|1,0,2]=4 2430 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,1,0,0,0,0|1,0,2]=4 2431 B9R0.2 CC(O)CNCCCC#N 2230a_100000210904_100000687738 [0,1,0,0,0,0|2,0,1]=4 2432 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [0,1,0,0,0,0|1,0,0]=2 2433 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,1,0,0,0,0|2,0,1]=4 2434 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,1,0,0,0,0|2,0,1]=4 2435 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,1,0,0,0,0|1,0,2]=4 2436 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,1,0,0,0,0|1,0,2]=4 2437 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,1,0,0,0,0|1,0,2]=4 2438 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,1,0,0,0,0|1,0,2]=4 2439 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,1,0,0,0,0|2,0,1]=4 2440 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,1,0,0,0,0|2,0,1]=4 2441 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,1,0,0,0,0|2,0,1]=4 2442 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,1,0,0,0,0|2,0,1]=4 2443 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,1,0,0,0,0|2,0,1]=4 2444 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,1,0,0,0,0|2,0,1]=4 2445 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,1,0,0,0,0|2,0,1]=4 2446 B9R0.2 CC(O)CSCCCC#N 62a_100000687738_100011218427 [0,1,0,0,0,0|2,0,1]=4 2447 B9R0.2 CC(O)CSCCCC#N 62a_100011218427_100000687738 [0,1,0,0,0,0|2,0,1]=4 2448 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,1,0,0,0,0|1,0,0]=2 2449 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,1,0,0,0,0|1,0,0]=2 2450 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,1,0,0,0,0|2,0,1]=4 2451 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,1,0,0,0,0|2,0,1]=4 2452 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,1,0,0,0,0|1,0,2]=4 2453 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,1,0,0,0,0|1,0,2]=4 2454 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [0,1,0,0,0,0|1,0,2]=4 2455 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,1,0,0,0,0|1,0,2]=4 2456 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,1,0,0,0,0|1,0,2]=4 2457 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [0,1,0,0,0,0|1,0,2]=4 2458 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [0,1,0,0,0,0|1,0,2]=4 2459 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [0,1,0,0,0,0|1,0,2]=4 2460 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [0,1,0,0,0,0|1,0,2]=4 2461 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [0,1,0,0,0,0|1,0,2]=4 2462 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [0,1,0,0,0,0|1,0,2]=4 2463 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [0,1,0,0,0,0|2,0,1]=4 2464 B9R0.2 CC=CCNCCC(C)O 2230a_200000755665_100000070051 [0,1,0,0,0,0|2,0,1]=4 2465 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,1,0,0,0,0|1,0,2]=4 2466 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,1,0,0,0,0|1,0,2]=4 2467 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [0,1,0,0,0,0|1,0,2]=4 2468 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [0,1,0,0,0,0|1,0,2]=4 2469 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [0,1,0,0,0,0|2,0,1]=4 2470 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [0,1,0,0,0,0|2,0,1]=4 2471 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [0,1,0,0,0,0|2,0,1]=4 2472 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [0,1,0,0,0,0|2,0,1]=4 2473 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,1,0,0,0,0|1,0,2]=4 2474 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,1,0,0,0,0|1,0,2]=4 2475 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [0,1,0,0,0,0|1,0,2]=4 2476 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [0,1,0,0,0,0|1,0,2]=4 2477 B9R0.2 CC=CCSCCC(C)C 62a_100000070051_100000210312 [0,1,0,0,0,0|2,0,1]=4 2478 B9R0.2 CC=CCSCCC(C)C 62a_100000210312_100000070051 [0,1,0,0,0,0|2,0,1]=4 2479 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [0,1,0,0,0,0|2,0,1]=4 2480 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [0,1,0,0,0,0|2,0,1]=4 2481 B9R0.2 CCC#CCNCC(=O)N 2230a_100000711301_100009813939 [0,1,0,0,0,0|1,0,2]=4 2482 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,1,0,0,0,0|1,0,2]=4 2483 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [0,1,0,0,0,0|1,0,2]=4 2484 B9R0.2 CCC#CCOCC(=O)N 34a_100000032950_100000187820 [0,1,0,0,0,0|1,0,2]=4 2485 B9R0.2 CCC#CCOCC(=O)[O-] 34a_100000032950_100020667443 [0,1,0,0,0,0|1,0,2]=4 2486 B9R0.2 CCC#CCSCC(=O)N 62a_100000747473_100009813939 [0,1,0,0,0,0|1,0,2]=4 2487 B9R0.2 CCC#CCSCC(=O)N 62a_100009813939_100000747473 [0,1,0,0,0,0|1,0,2]=4 2488 B9R0.2 CCC#CCSCC(=O)[O-] 62a_100009813939_100020667443 [0,1,0,0,0,0|1,0,2]=4 2489 B9R0.2 CCC#CCSCC(=O)[O-] 62a_100020667443_100009813939 [0,1,0,0,0,0|1,0,2]=4 2490 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,0,0,0,0|0,0,2]=3 2491 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,0,0,0,0|0,0,2]=3 2492 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,1,0,0,0,0|2,0,1]=4 2493 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,0,0,0,0|0,0,2]=3 2494 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,0,0,0,0|0,0,2]=3 2495 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,0,0,0,0|0,0,2]=3 2496 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,0,0,0,0|0,0,2]=3 2497 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|0,0,0]=1 2498 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|0,0,0]=1 2499 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|0,0,0]=1 2500 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,1,0,0,0,0|2,0,0]=3 2501 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,1,0,0,0,0|2,0,0]=3 2502 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,1,0,0,0,0|2,0,0]=3 2503 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,1,0,0,0,0|2,0,0]=3 2504 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,1,0,0,0,0|2,0,0]=3 2505 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,1,0,0,0,0|2,0,0]=3 2506 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,0,0,0,0|1,0,0]=2 2507 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,0,0,0,0|1,0,0]=2 2508 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,0,0,0,0|1,0,0]=2 2509 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,0,0,0,0|1,0,0]=2 2510 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,1,0,0,0,0|2,0,1]=4 2511 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,1,0,0,0,0|2,0,1]=4 2512 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,1,0,0,0,0|2,0,1]=4 2513 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,1,0,0,0,0|2,0,1]=4 2514 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,1,0,0,0,0|2,0,1]=4 2515 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,1,0,0,0,0|2,0,1]=4 2516 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,1,0,0,0,0|2,0,1]=4 2517 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,1,0,0,0,0|2,0,1]=4 2518 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,0,0,0,0|1,0,0]=2 2519 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,0,0,0,0|1,0,0]=2 2520 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,0,0,0,0|1,0,0]=2 2521 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [0,1,0,0,0,0|2,0,1]=4 2522 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [0,1,0,0,0,0|2,0,1]=4 2523 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [0,1,0,0,0,0|2,0,1]=4 2524 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [0,1,0,0,0,0|2,0,1]=4 2525 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,1,0,0,0,0|1,0,2]=4 2526 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,1,0,0,0,0|1,0,2]=4 2527 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,1,0,0,0,0|1,0,2]=4 2528 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [0,1,0,0,0,0|2,0,1]=4 2529 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [0,1,0,0,0,0|2,0,1]=4 2530 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,1,0,0,0,0|1,0,2]=4 2531 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,0,0,0,0|2,0,0]=3 2532 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,0,0,0,0|1,0,0]=2 2533 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,0,0,0,0|1,0,0]=2 2534 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,0,0,0,0|1,0,0]=2 2535 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,0,0,0,0|1,0,0]=2 2536 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,1,0,0,0,0|2,0,1]=4 2537 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,1,0,0,0,0|2,0,1]=4 2538 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,1,0,0,0,0|2,0,1]=4 2539 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,1,0,0,0,0|2,0,1]=4 2540 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,1,0,0,0,0|2,0,1]=4 2541 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,1,0,0,0,0|1,0,2]=4 2542 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,1,0,0,0,0|1,0,2]=4 2543 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [0,1,0,0,0,0|2,0,1]=4 2544 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [0,1,0,0,0,0|2,0,1]=4 2545 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [0,1,0,0,0,0|2,0,1]=4 2546 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,1,0,0,0,0|2,0,1]=4 2547 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,1,0,0,0,0|2,0,1]=4 2548 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,1,0,0,0,0|1,0,2]=4 2549 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,1,0,0,0,0|1,0,2]=4 2550 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,1,0,0,0,0|2,0,0]=3 2551 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,0,0,0,0|1,0,0]=2 2552 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,0,0,0,0|1,0,0]=2 2553 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,0,0,0,0|1,0,0]=2 2554 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,0,0,0,0|1,0,0]=2 2555 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [0,1,0,0,0,0|2,0,1]=4 2556 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [0,1,0,0,0,0|2,0,1]=4 2557 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,1,0,0,0,0|1,0,2]=4 2558 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,1,0,0,0,0|1,0,2]=4 2559 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [0,1,0,0,0,0|2,0,1]=4 2560 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [0,1,0,0,0,0|2,0,1]=4 2561 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,1,0,0,0,0|1,0,2]=4 2562 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,1,0,0,0,0|1,0,2]=4 2563 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,1,0,0,0,0|2,0,0]=3 2564 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,1,0,0,0,0|2,0,1]=4 2565 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,1,0,0,0,0|2,0,1]=4 2566 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,1,0,0,0,0|2,0,1]=4 2567 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|1,0,0]=2 2568 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,0,0,0,0|1,0,0]=2 2569 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,0,0,0,0|1,0,0]=2 2570 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [0,1,0,0,0,0|2,0,1]=4 2571 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [0,1,0,0,0,0|2,0,1]=4 2572 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [0,1,0,0,0,0|2,0,1]=4 2573 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,0,0,0,0|1,0,2]=4 2574 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,0,0,0,0|1,0,2]=4 2575 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,0,0,0,0|1,0,2]=4 2576 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [0,1,0,0,0,0|3,0,0]=4 2577 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,0,0,0,0|2,0,0]=3 2578 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,1,0,0,0,0|2,0,1]=4 2579 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,1,0,0,0,0|2,0,1]=4 2580 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,1,0,0,0,0|2,0,1]=4 2581 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|1,0,0]=2 2582 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|1,0,0]=2 2583 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|1,0,0]=2 2584 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|1,0,0]=2 2585 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,0,0,0,0|1,0,0]=2 2586 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,0,0,0,0|1,0,0]=2 2587 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,0,0,0,0|1,0,0]=2 2588 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,0,0,0,0|1,0,0]=2 2589 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [0,1,0,0,0,0|2,0,1]=4 2590 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,1,0,0,0,0|2,0,1]=4 2591 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,1,0,0,0,0|2,0,1]=4 2592 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,1,0,0,0,0|2,0,1]=4 2593 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,1,0,0,0,0|2,0,1]=4 2594 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,1,0,0,0,0|1,0,2]=4 2595 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,1,0,0,0,0|1,0,2]=4 2596 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [0,1,0,0,0,0|2,0,1]=4 2597 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [0,1,0,0,0,0|3,0,0]=4 2598 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [0,1,0,0,0,0|3,0,0]=4 2599 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [0,1,0,0,0,0|3,0,0]=4 2600 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [0,1,0,0,0,0|2,0,1]=4 2601 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,0,0,0,0|2,0,0]=3 2602 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,1,0,0,0,0|2,0,1]=4 2603 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,1,0,0,0,0|2,0,1]=4 2604 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|1,0,0]=2 2605 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|1,0,0]=2 2606 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,0,0,0,0|1,0,0]=2 2607 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,0,0,0,0|1,0,0]=2 2608 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [0,1,0,0,0,0|2,0,1]=4 2609 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [0,1,0,0,0,0|2,0,1]=4 2610 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,1,0,0,0,0|1,0,2]=4 2611 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,1,0,0,0,0|1,0,2]=4 2612 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [0,1,0,0,0,0|3,0,0]=4 2613 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,0,0,0,0|2,0,0]=3 2614 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,0,0,0,0|2,0,0]=3 2615 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,0,0,0,0|1,0,0]=2 2616 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [0,1,0,0,0,0|2,0,1]=4 2617 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [0,1,0,0,0,0|2,0,1]=4 2618 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,0,0,0,0|2,0,0]=3 2619 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,0,0,0,0|2,0,0]=3 2620 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,0,0,0,0|2,0,0]=3 2621 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,1,0,0,0,0|2,0,1]=4 2622 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [0,1,0,0,0,0|2,0,1]=4 2623 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,0,0,0,0|1,0,0]=2 2624 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,0,0,0,0|1,0,0]=2 2625 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,0,0,0,0|1,0,0]=2 2626 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,0,0,0,0|1,0,0]=2 2627 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,1,0,0,0,0|2,0,1]=4 2628 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,1,0,0,0,0|2,0,1]=4 2629 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,1,0,0,0,0|2,0,1]=4 2630 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,1,0,0,0,0|1,0,2]=4 2631 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,1,0,0,0,0|2,0,0]=3 2632 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,0,0,0,0|2,0,0]=3 2633 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,0,0,0,0|2,0,0]=3 2634 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,0,0,0,0|2,0,0]=3 2635 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,0,0,0,0|2,0,0]=3 2636 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,0,0,0,0|2,0,0]=3 2637 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,0,0,0,0|2,0,0]=3 2638 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,0,0,0,0|2,0,0]=3 2639 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,0,0,0,0|2,0,0]=3 2640 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,1,0,0,0,0|2,0,1]=4 2641 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,1,0,0,0,0|2,0,1]=4 2642 B9R0.2 CCCSCCC=C(F)F 62a_100000210303_200009816681 [0,1,0,0,0,0|2,0,1]=4 2643 B9R0.2 CCCSCCC=C(F)F 62a_200009816681_100000210303 [0,1,0,0,0,0|2,0,1]=4 2644 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,0,0,0,0|1,0,0]=2 2645 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,0,0,0,0|1,0,0]=2 2646 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,0,0,0,0|1,0,0]=2 2647 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,0,0,0,0|1,0,0]=2 2648 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [0,1,0,0,0,0|2,0,1]=4 2649 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [0,1,0,0,0,0|2,0,1]=4 2650 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,1,0,0,0,0|1,0,2]=4 2651 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,1,0,0,0,0|1,0,2]=4 2652 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [0,1,0,0,0,0|3,0,0]=4 2653 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,0,0,0,0|2,0,0]=3 2654 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,0,0,0,0|2,0,0]=3 2655 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,0,0,0,0|2,0,0]=3 2656 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,0,0,0,0|2,0,0]=3 2657 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,0,0,0,0|2,0,0]=3 2658 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,0,0,0,0|2,0,0]=3 2659 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,0,0,0,0|2,0,0]=3 2660 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,0,0,0,0|2,0,0]=3 2661 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,0,0,0,0|2,0,0]=3 2662 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,0,0,0,0|2,0,0]=3 2663 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,0,0,0,0|2,0,0]=3 2664 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,1,0,0,0,0|2,0,1]=4 2665 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,0,0,0,0|1,0,0]=2 2666 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,1,0,0,0,0|2,0,1]=4 2667 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,0,0,0,0|2,0,0]=3 2668 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,1,0,0,0,0|2,1,0]=4 2669 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,0,0,0,0|2,0,0]=3 2670 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,1,0,0,0,0|2,0,0]=3 2671 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,0,0,0,0|2,0,0]=3 2672 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,1,0,0,0,0|2,0,1]=4 2673 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,0,0,0,0|1,0,0]=2 2674 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,0,0,0,0|1,0,0]=2 2675 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,0,0,0,0|1,0,0]=2 2676 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,1,0,0,0,0|2,0,1]=4 2677 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,1,0,0,0,0|2,0,1]=4 2678 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,1,0,0,0,0|2,0,1]=4 2679 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,1,0,0,0,0|2,0,0]=3 2680 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,1,0,0,0,0|2,0,0]=3 2681 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,0,0,0,0|2,0,0]=3 2682 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,0,0,0,0|2,0,0]=3 2683 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,0,0,0,0|2,0,0]=3 2684 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,0,0,0,0|2,0,0]=3 2685 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,0,0,0,0|2,0,0]=3 2686 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,0,0,0,0|2,0,0]=3 2687 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,1,0,0,0,0|2,1,0]=4 2688 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,0,0,0,0|2,0,0]=3 2689 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,1,0,0,0,0|2,0,0]=3 2690 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,1,0,0,0,0|2,0,0]=3 2691 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,1,0,0,0,0|2,0,0]=3 2692 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,0,0,0,0|2,0,0]=3 2693 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,1,0,0,0,0|2,0,0]=3 2694 B9R0.2 CCOCCNC[N+](=O)[O-] 34a_102516460346_100000761209 [0,1,0,0,0,0|3,0,0]=4 2695 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,1,0,0,0,0|3,0,0]=4 2696 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,0,0,0,0|2,0,0]=3 2697 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,1,0,0,0,0|2,0,0]=3 2698 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,1,0,0,0,0|2,0,0]=3 2699 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,1,0,0,0,0|2,0,0]=3 2700 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,1,0,0,0,0|2,0,0]=3 2701 B9R0.2 CCOCCOC[N+](=O)[O-] 34a_100000210136_100000761209 [0,1,0,0,0,0|3,0,0]=4 2702 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,1,0,0,0,0|2,0,0]=3 2703 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,1,0,0,0,0|2,0,0]=3 2704 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,1,0,0,0,0|2,0,0]=3 2705 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,1,0,0,0,0|2,0,0]=3 2706 B9R0.2 CCOCCSC[N+](=O)[O-] 62a_100000210147_100000761209 [0,1,0,0,0,0|3,0,0]=4 2707 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,1,0,0,0,0|3,0,0]=4 2708 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,0,0,0,0|2,0,0]=3 2709 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,0,0,0,0|2,0,0]=3 2710 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,1,0,0,0,0|2,0,0]=3 2711 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,1,0,0,0,0|2,0,0]=3 2712 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,1,0,0,0,0|3,0,0]=4 2713 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,1,0,0,0,0|3,0,0]=4 2714 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,1,0,0,0,0|2,0,1]=4 2715 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,1,0,0,0,0|2,0,1]=4 2716 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,0,0,0,0|1,0,0]=2 2717 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,0,0,0,0|1,0,0]=2 2718 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,1,0,0,0,0|2,0,1]=4 2719 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,1,0,0,0,0|2,0,1]=4 2720 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [0,1,0,0,0,0|3,0,0]=4 2721 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,0,0,0,0|2,0,0]=3 2722 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,0,0,0,0|2,0,0]=3 2723 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,1,0,0,0,0|2,1,0]=4 2724 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,1,0,0,0,0|2,1,0]=4 2725 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,0,0,0,0|2,0,0]=3 2726 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,0,0,0,0|2,0,0]=3 2727 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,1,0,0,0,0|2,0,0]=3 2728 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,1,0,0,0,0|2,0,0]=3 2729 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,0,0,0,0|2,0,0]=3 2730 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,0,0,0,0|2,0,0]=3 2731 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,1,0,0,0,0|2,0,0]=3 2732 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,1,0,0,0,0|2,0,0]=3 2733 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,1,0,0,0,0|2,0,0]=3 2734 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,1,0,0,0,0|2,0,0]=3 2735 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,1,0,0,0,0|2,0,0]=3 2736 B9R0.2 CCSCCOC[N+](=O)[O-] 34a_100000212035_100000761209 [0,1,0,0,0,0|3,0,0]=4 2737 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,1,0,0,0,0|2,0,0]=3 2738 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,1,0,0,0,0|2,0,0]=3 2739 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,1,0,0,0,0|2,0,0]=3 2740 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,1,0,0,0,0|2,0,0]=3 2741 B9R0.2 CCSCCSC[N+](=O)[O-] 62a_100000757381_100000761209 [0,1,0,0,0,0|3,0,0]=4 2742 B9R0.2 CN(C)CCCCCC#N 2230a_100102631434_100009813376 [0,1,0,0,0,0|2,0,1]=4 2743 B9R0.2 CN(C)CCCCCC#N 269982a_100102631434_100009813376 [0,1,0,0,0,0|2,0,1]=4 2744 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,1,0,0,0,0|1,0,0]=2 2745 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,1,0,0,0,0|1,0,0]=2 2746 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [0,1,0,0,0,0|2,0,1]=4 2747 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [0,1,0,0,0,0|2,0,1]=4 2748 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,1,0,0,0,0|1,0,2]=4 2749 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,1,0,0,0,0|1,0,2]=4 2750 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [0,1,0,0,0,0|2,0,0]=3 2751 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,1,0,0,0,0|2,0,1]=4 2752 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,1,0,0,0,0|2,0,1]=4 2753 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,1,0,0,0,0|2,0,1]=4 2754 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,0,0,0,0|1,0,0]=2 2755 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,0,0,0,0|1,0,0]=2 2756 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,0,0,0,0|1,0,0]=2 2757 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,1,0,0,0,0|2,0,0]=3 2758 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,1,0,0,0,0|2,0,0]=3 2759 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,1,0,0,0,0|2,0,0]=3 2760 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,1,0,0,0,0|2,0,0]=3 2761 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,1,0,0,0,0|2,0,0]=3 2762 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,0,0,0,0|2,0,0]=3 2763 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,0,0,0,0|2,0,0]=3 2764 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,0,0,0,0|2,0,0]=3 2765 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,0,0,0,0|2,0,0]=3 2766 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [0,1,0,0,0,0|3,0,0]=4 2767 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [0,1,0,0,0,0|3,0,0]=4 2768 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,0,0,0,0|2,0,0]=3 2769 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,0,0,0,0|2,0,0]=3 2770 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,0,0,0,0|2,0,0]=3 2771 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,0,0,0,0|2,0,0]=3 2772 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,0,0,0,0|2,0,0]=3 2773 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [0,1,0,0,0,0|3,0,0]=4 2774 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [0,1,0,0,0,0|3,0,0]=4 2775 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [0,1,0,0,0,0|3,0,0]=4 2776 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,1,0,0,0,0|3,0,0]=4 2777 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,1,0,0,0,0|3,0,0]=4 2778 B9R0.2 CNCCCOC[N+](=O)[O-] 34a_100000213112_100000761209 [0,1,0,0,0,0|3,0,0]=4 2779 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,1,0,0,0,0|3,0,0]=4 2780 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,1,0,0,0,0|2,0,1]=4 2781 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|1,0,0]=2 2782 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,0,0,0,0|1,0,0]=2 2783 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,0,0,0,0|1,0,0]=2 2784 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,0,0,0,0|1,0,0]=2 2785 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|1,0,0]=2 2786 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,0,0,0,0|1,0,0]=2 2787 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,1,0,0,0,0|2,0,0]=3 2788 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,1,0,0,0,0|2,0,0]=3 2789 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,1,0,0,0,0|2,0,0]=3 2790 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [0,1,0,0,0,0|3,0,0]=4 2791 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [0,1,0,0,0,0|3,0,0]=4 2792 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [0,1,0,0,0,0|3,0,0]=4 2793 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,0,0,0,0|2,0,0]=3 2794 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,0,0,0,0|2,0,0]=3 2795 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,0,0,0,0|2,0,0]=3 2796 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [0,1,0,0,0,0|3,0,0]=4 2797 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [0,1,0,0,0,0|3,0,0]=4 2798 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [0,1,0,0,0,0|3,0,0]=4 2799 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,0,0,0,0|2,0,0]=3 2800 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [0,1,0,0,0,0|3,0,0]=4 2801 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [0,1,0,0,0,0|3,0,0]=4 2802 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,1,0,0,0,0|2,0,0]=3 2803 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,1,0,0,0,0|2,0,0]=3 2804 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,0,0,0,0|2,0,0]=3 2805 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,1,0,0,0,0|2,0,0]=3 2806 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [0,1,0,0,0,0|3,0,0]=4 2807 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [0,1,0,0,0,0|3,0,0]=4 2808 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [0,1,0,0,0,0|3,0,0]=4 2809 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [0,1,0,0,0,0|3,0,0]=4 2810 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,1,0,0,0,0|3,0,0]=4 2811 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,1,0,0,0,0|3,0,0]=4 2812 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,1,0,0,0,0|3,0,0]=4 2813 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,1,0,0,0,0|3,0,0]=4 2814 B9R0.2 COCCCNC[N+](=O)[O-] 34a_100150723488_100000761209 [0,1,0,0,0,0|3,0,0]=4 2815 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,1,0,0,0,0|3,0,0]=4 2816 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,0,0,0,0|2,0,0]=3 2817 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,0,0,0,0|2,0,0]=3 2818 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,0,0,0,0|2,0,0]=3 2819 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [0,1,0,0,0,0|3,0,0]=4 2820 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [0,1,0,0,0,0|3,0,0]=4 2821 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [0,1,0,0,0,0|3,0,0]=4 2822 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [0,1,0,0,0,0|3,0,0]=4 2823 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,1,0,0,0,0|3,0,0]=4 2824 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [0,1,0,0,0,0|3,0,0]=4 2825 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [0,1,0,0,0,0|3,0,0]=4 2826 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,1,0,0,0,0|3,0,0]=4 2827 B9R0.2 COCCCOC[N+](=O)[O-] 34a_100000740835_100000761209 [0,1,0,0,0,0|3,0,0]=4 2828 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,1,0,0,0,0|2,0,0]=3 2829 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,1,0,0,0,0|2,0,0]=3 2830 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,1,0,0,0,0|2,0,0]=3 2831 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,1,0,0,0,0|2,0,0]=3 2832 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [0,1,0,0,0,0|3,0,0]=4 2833 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [0,1,0,0,0,0|3,0,0]=4 2834 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,1,0,0,0,0|3,0,0]=4 2835 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,1,0,0,0,0|3,0,0]=4 2836 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,1,0,0,0,0|3,0,0]=4 2837 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,1,0,0,0,0|3,0,0]=4 2838 B9R0.2 COCCCSC[N+](=O)[O-] 62a_100000709357_100000761209 [0,1,0,0,0,0|3,0,0]=4 2839 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,1,0,0,0,0|2,0,0]=3 2840 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [0,1,0,0,0,0|3,0,0]=4 2841 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [0,1,0,0,0,0|3,0,0]=4 2842 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,1,0,0,0,0|3,0,0]=4 2843 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,1,0,0,0,0|3,0,0]=4 2844 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,1,0,0,0,0|3,0,0]=4 2845 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,0,0,0,0|2,0,0]=3 2846 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,0,0,0,0|2,0,0]=3 2847 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,0,0,0,0|2,0,0]=3 2848 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,0,0,0,0|2,0,0]=3 2849 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,1,0,0,0,0|2,0,0]=3 2850 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,1,0,0,0,0|2,0,0]=3 2851 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,1,0,0,0,0|2,0,0]=3 2852 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,0,0,0,0|2,0,0]=3 2853 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [0,1,0,0,0,0|3,0,0]=4 2854 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [0,1,0,0,0,0|3,0,0]=4 2855 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [0,1,0,0,0,0|3,0,0]=4 2856 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [0,1,0,0,0,0|3,0,0]=4 2857 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,1,0,0,0,0|3,0,0]=4 2858 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [0,1,0,0,0,0|3,0,0]=4 2859 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,1,0,0,0,0|3,0,0]=4 2860 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,0,0,0,0|2,0,0]=3 2861 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,0,0,0,0|2,0,0]=3 2862 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,1,0,0,0,0|2,0,0]=3 2863 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,1,0,0,0,0|2,0,0]=3 2864 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [0,1,0,0,0,0|3,0,0]=4 2865 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [0,1,0,0,0,0|3,0,0]=4 2866 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,1,0,0,0,0|3,0,0]=4 2867 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,1,0,0,0,0|3,0,0]=4 2868 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,1,0,0,0,0|3,0,0]=4 2869 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,1,0,0,0,0|3,0,0]=4 2870 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [0,1,0,0,0,0|3,0,0]=4 2871 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,1,0,0,0,0|3,0,0]=4 2872 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,1,0,0,0,0|3,0,0]=4 2873 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,1,0,0,0,0|3,0,0]=4 2874 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,0,0,0,0|2,0,0]=3 2875 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,0,0,0,0|2,0,0]=3 2876 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,1,0,0,0,0|2,0,0]=3 2877 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,1,0,0,0,0|2,0,0]=3 2878 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [0,1,0,0,0,0|3,0,0]=4 2879 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [0,1,0,0,0,0|3,0,0]=4 2880 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,1,0,0,0,0|3,0,0]=4 2881 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,1,0,0,0,0|3,0,0]=4 2882 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,1,0,0,0,0|3,0,0]=4 2883 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,1,0,0,0,0|3,0,0]=4 2884 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [0,1,0,0,0,0|3,0,0]=4 2885 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [0,1,0,0,0,0|3,0,0]=4 2886 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,1,0,0,0,0|3,0,0]=4 2887 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,1,0,0,0,0|3,0,0]=4 2888 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,1,0,0,0,0|3,0,0]=4 2889 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,1,0,0,0,0|3,0,0]=4 2890 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [0,1,0,0,0,0|2,0,0]=3 2891 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,1,0,0,0,0|3,0,0]=4 2892 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,1,0,0,0,0|3,0,0]=4 2893 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,1,0,0,0,0|2,0,1]=4 2894 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,1,0,0,0,0|2,0,1]=4 2895 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,0,0,0,0|1,0,0]=2 2896 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,0,0,0,0|1,0,0]=2 2897 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,1,0,0,0,0|2,0,0]=3 2898 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,1,0,0,0,0|2,0,0]=3 2899 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,0,0,0,0|2,0,0]=3 2900 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,0,0,0,0|2,0,0]=3 2901 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [0,1,0,0,0,0|3,0,0]=4 2902 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [0,1,0,0,0,0|3,0,0]=4 2903 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [0,1,0,0,0,0|3,0,0]=4 2904 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,0,0,0,0|2,0,0]=3 2905 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,0,0,0,0|2,0,0]=3 2906 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,1,0,0,0,0|2,0,0]=3 2907 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [0,1,0,0,0,0|3,0,0]=4 2908 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [0,1,0,0,0,0|3,0,0]=4 2909 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,1,0,0,0,0|3,0,0]=4 2910 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,1,0,0,0,0|3,0,0]=4 2911 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,0,0,0,0|2,0,0]=3 2912 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,0,0,0,0|2,0,0]=3 2913 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,0,0,0,0|2,0,0]=3 2914 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [0,1,0,0,0,0|3,0,0]=4 2915 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [0,1,0,0,0,0|3,0,0]=4 2916 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,1,0,0,0,0|3,0,0]=4 2917 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,1,0,0,0,0|3,0,0]=4 2918 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,1,0,0,0,0|3,0,0]=4 2919 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,1,0,0,0,0|3,0,0]=4 2920 B9R0.2 CSCCCOC[N+](=O)[O-] 34a_100000690336_100000761209 [0,1,0,0,0,0|3,0,0]=4 2921 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,1,0,0,0,0|2,0,0]=3 2922 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [0,1,0,0,0,0|3,0,0]=4 2923 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [0,1,0,0,0,0|3,0,0]=4 2924 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,1,0,0,0,0|3,0,0]=4 2925 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,1,0,0,0,0|3,0,0]=4 2926 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,1,0,0,0,0|3,0,0]=4 2927 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,0,0,0,0|2,0,0]=3 2928 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,0,0,0,0|2,0,0]=3 2929 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,0,0,0,0|2,0,0]=3 2930 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,1,0,0,0,0|2,0,0]=3 2931 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,1,0,0,0,0|2,0,0]=3 2932 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,1,0,0,0,0|2,0,0]=3 2933 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,1,0,0,0,0|2,0,0]=3 2934 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [0,1,0,0,0,0|3,0,0]=4 2935 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,1,0,0,0,0|3,0,0]=4 2936 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,1,0,0,0,0|3,0,0]=4 2937 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,1,0,0,0,0|3,0,0]=4 2938 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,1,0,0,0,0|3,0,0]=4 2939 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,1,0,0,0,0|3,0,0]=4 2940 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,1,0,0,0,0|3,0,0]=4 2941 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [0,1,0,0,0,0|3,0,0]=4 2942 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,1,0,0,0,0|3,0,0]=4 2943 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,0,0,0,0|2,0,0]=3 2944 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,0,0,0,0|2,0,0]=3 2945 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,1,0,0,0,0|2,0,0]=3 2946 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,1,0,0,0,0|2,0,0]=3 2947 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [0,1,0,0,0,0|3,0,0]=4 2948 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [0,1,0,0,0,0|3,0,0]=4 2949 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,1,0,0,0,0|3,0,0]=4 2950 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,1,0,0,0,0|3,0,0]=4 2951 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,1,0,0,0,0|3,0,0]=4 2952 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,1,0,0,0,0|3,0,0]=4 2953 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,1,0,0,0,0|2,0,0]=3 2954 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [0,1,0,0,0,0|3,0,0]=4 2955 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [0,1,0,0,0,0|3,0,0]=4 2956 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [0,1,0,0,0,0|3,0,0]=4 2957 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,1,0,0,0,0|3,0,0]=4 2958 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [0,1,0,0,0,0|3,0,0]=4 2959 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,0,0,0,0|2,0,0]=3 2960 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [0,1,0,0,0,0|3,0,0]=4 2961 B9R0.2 CSCOCCC[N+](=O)[O-] 34a_200000037920_100011218213 [0,1,0,0,0,0|3,0,0]=4 2962 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,1,0,0,0,0|3,0,0]=4 2963 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [0,1,0,0,0,0|3,0,0]=4 2964 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,1,0,0,0,0|3,0,0]=4 2965 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,1,0,0,0,0|3,0,0]=4 2966 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,0,0,0,0|2,0,0]=3 2967 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,0,0,0,0|2,0,0]=3 2968 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,1,0,0,0,0|2,0,0]=3 2969 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,1,0,0,0,0|2,0,0]=3 2970 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [0,1,0,0,0,0|3,0,0]=4 2971 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [0,1,0,0,0,0|3,0,0]=4 2972 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,1,0,0,0,0|3,0,0]=4 2973 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,1,0,0,0,0|3,0,0]=4 2974 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,1,0,0,0,0|3,0,0]=4 2975 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,1,0,0,0,0|3,0,0]=4 2976 B9R0.2 CSCSCCNC(=O)N 62a_100011218213_200000034859 [0,1,0,0,0,0|3,0,0]=4 2977 B9R0.2 CSCSCCNC(=O)N 62a_200000034859_100011218213 [0,1,0,0,0,0|3,0,0]=4 2978 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,1,0,0,0,0|3,0,0]=4 2979 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,1,0,0,0,0|3,0,0]=4 2980 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,1,0,0,0,0|3,0,0]=4 2981 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,1,0,0,0,0|3,0,0]=4 2982 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [0,1,0,0,0,0|2,0,1]=4 2983 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [0,1,0,0,0,0|1,0,2]=4 2984 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [0,1,0,0,0,0|2,0,1]=4 2985 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [0,1,0,0,0,0|1,0,2]=4 2986 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [0,1,0,0,0,0|2,0,1]=4 2987 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [0,1,0,0,0,0|1,0,2]=4 2988 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,1,0,0,0,0|1,0,2]=4 2989 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,1,0,0,0,0|1,0,2]=4 2990 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,1,0,0,0,0|2,0,1]=4 2991 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,1,0,0,0,0|2,0,1]=4 2992 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,1,0,0,0,0|2,0,1]=4 2993 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,1,0,0,0,0|2,0,1]=4 2994 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,1,0,0,0,0|2,0,1]=4 2995 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,1,0,0,0,0|2,0,1]=4 2996 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,1,0,0,0,0|2,0,1]=4 2997 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100000687738_100009817552 [0,1,0,0,0,0|2,0,1]=4 2998 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100009817552_100000687738 [0,1,0,0,0,0|2,0,1]=4 2999 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,1,0,0,0,0|1,0,0]=2 3000 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,1,0,0,0,0|1,0,0]=2 3001 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,1,0,0,0,0|2,0,1]=4 3002 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,1,0,0,0,0|2,0,1]=4 3003 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,1,0,0,0,0|1,0,2]=4 3004 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,1,0,0,0,0|1,0,2]=4 3005 B9R0.2 N#CCCCNCC(=O)N 2230a_100000711301_100000687738 [0,1,0,0,0,0|2,0,1]=4 3006 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,1,0,0,0,0|2,0,1]=4 3007 B9R0.2 N#CCCCSCC(=O)N 62a_100000687738_100000747473 [0,1,0,0,0,0|2,0,1]=4 3008 B9R0.2 N#CCCCSCC(=O)N 62a_100000747473_100000687738 [0,1,0,0,0,0|2,0,1]=4 3009 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100000687738_100020667443 [0,1,0,0,0,0|2,0,1]=4 3010 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100020667443_100000687738 [0,1,0,0,0,0|2,0,1]=4 3011 B9R0.2 N#CCCOCCC(=O)N 7a_100000757172_100000184422 [0,1,0,0,0,0|2,0,1]=4 3012 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [0,1,0,0,0,0|2,0,1]=4 3013 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [0,1,0,0,0,0|2,0,1]=4 3014 B9R0.2 N#CCSCCCC(=O)N 62a_100011215382_100102525003 [0,1,0,0,0,0|2,0,1]=4 3015 B9R0.2 N#CCSCCCC(=O)N 62a_100102525003_100011215382 [0,1,0,0,0,0|2,0,1]=4 3016 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,1,0,0,0,0|2,0,0]=3 3017 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,1,0,0,0,0|2,0,0]=3 3018 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,1,0,0,0,0|2,0,0]=3 3019 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [0,1,0,0,0,0|2,0,1]=4 3020 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,1,0,0,0,0|2,0,0]=3 3021 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,1,0,0,0,0|2,0,0]=3 3022 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,1,0,0,0,0|2,0,0]=3 3023 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,1,0,0,0,0|2,0,0]=3 3024 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,1,0,0,0,0|2,0,0]=3 3025 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [0,1,0,0,0,0|2,0,1]=4 3026 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [0,1,0,0,0,0|2,0,1]=4 3027 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,1,0,0,0,0|2,0,0]=3 3028 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,1,0,0,0,0|2,0,0]=3 3029 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,1,0,0,0,0|2,0,0]=3 3030 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,1,0,0,0,0|2,0,0]=3 3031 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,1,0,0,0,0|2,0,0]=3 3032 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,1,0,0,0,0|2,0,0]=3 3033 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,1,0,0,0,0|2,0,0]=3 3034 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,1,0,0,0,0|2,0,0]=3 3035 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,1,0,0,0,0|2,0,0]=3 3036 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,1,0,0,0,0|2,0,0]=3 3037 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,1,0,0,0,0|2,0,0]=3 3038 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,1,0,0,0,0|2,0,0]=3 3039 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,1,0,0,0,0|2,0,0]=3 3040 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,1,0,0,0,0|2,0,0]=3 3041 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,1,0,0,0,0|2,0,0]=3 3042 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,1,0,0,0,0|2,0,0]=3 3043 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,1,0,0,0,0|2,0,0]=3 3044 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [0,1,0,0,0,0|2,0,1]=4 3045 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,1,0,0,0,0|2,0,0]=3 3046 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,1,0,0,0,0|2,0,0]=3 3047 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,1,0,0,0,0|2,0,0]=3 3048 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,0]=3 3049 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,1,0,0,0,0|2,0,0]=3 3050 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,1,0,0,0,0|2,0,0]=3 3051 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,1,0,0,0,0|2,0,0]=3 3052 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,1,0,0,0,0|2,0,0]=3 3053 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,1,0,0,0,0|2,0,0]=3 3054 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,1,0,0,0,0|2,0,0]=3 3055 B9R0.2 NC(=O)COCCSCF 62a_100000076697_100015361967 [0,1,0,0,0,0|3,0,0]=4 3056 B9R0.2 NC(=O)COCCSCF 62a_100015361967_100000076697 [0,1,0,0,0,0|3,0,0]=4 3057 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [0,1,0,0,0,0|2,0,1]=4 3058 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [0,1,0,0,0,0|2,0,1]=4 3059 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,1,0,0,0,0|2,0,0]=3 3060 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,1,0,0,0,0|2,0,0]=3 3061 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,1,0,0,0,0|2,0,0]=3 3062 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,1,0,0,0,0|2,0,0]=3 3063 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [0,1,0,0,0,0|3,0,0]=4 3064 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,1,0,0,0,0|3,0,0]=4 3065 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,1,0,0,0,0|3,0,0]=4 3066 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [0,1,0,0,0,0|3,0,0]=4 3067 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [0,1,0,0,0,0|3,0,0]=4 3068 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [0,1,0,0,0,0|3,0,0]=4 3069 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [0,1,0,0,0,0|3,0,0]=4 3070 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [0,1,0,0,0,0|3,0,0]=4 3071 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [0,1,0,0,0,0|3,0,0]=4 3072 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,1,0,0,0,0|3,0,0]=4 3073 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,1,0,0,0,0|3,0,0]=4 3074 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,1,0,0,0,0|3,0,0]=4 3075 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,1,0,0,0,0|3,0,0]=4 3076 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,1,0,0,0,0|3,0,0]=4 3077 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,1,0,0,0,0|3,0,0]=4 3078 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,1,0,0,0,0|3,0,0]=4 3079 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,1,0,0,0,0|3,0,0]=4 3080 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,1,0,0,0,0|3,0,0]=4 3081 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,0]=3 3082 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,1,0,0,0,0|2,0,0]=3 3083 B9R0.2 NCCCCOC[N+](=O)[O-] 34a_100000750430_100000761209 [0,1,0,0,0,0|3,0,0]=4 3084 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,1,0,0,0,0|2,0,0]=3 3085 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,1,0,0,0,0|2,0,0]=3 3086 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,1,0,0,0,0|3,0,0]=4 3087 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [0,1,0,0,0,0|3,0,0]=4 3088 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,0,0,0,0|2,0,0]=3 3089 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,0,0,0,0|2,0,0]=3 3090 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,1,0,0,0,0|3,0,0]=4 3091 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,1,0,0,0,0|3,0,0]=4 3092 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,1,0,0,0,0|3,0,0]=4 3093 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,1,0,0,0,0|2,0,0]=3 3094 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,1,0,0,0,0|2,0,0]=3 3095 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,1,0,0,0,0|2,0,0]=3 3096 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,1,0,0,0,0|2,0,0]=3 3097 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,1,0,0,0,0|2,0,0]=3 3098 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,1,0,0,0,0|2,0,0]=3 3099 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,1,0,0,0,0|2,0,0]=3 3100 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,1,0,0,0,0|2,0,0]=3 3101 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,1,0,0,0,0|2,0,0]=3 3102 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,1,0,0,0,0|2,0,1]=4 3103 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [0,1,0,0,0,0|2,0,1]=4 3104 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [0,1,0,0,0,0|2,0,1]=4 3105 B9R0.2 O=CCCCSCC(F)F 62a_100011934356_200011292268 [0,1,0,0,0,0|2,0,0]=3 3106 B9R0.2 O=CCCCSCC(F)F 62a_200011292268_100011934356 [0,1,0,0,0,0|2,0,0]=3 3107 B9R0.2 O=CCCCSC[N+](=O)[O-] 62a_200011292268_100000761209 [0,1,0,0,0,0|3,0,0]=4 3108 B9R0.2 O=CCOCCC[N+](=O)[O-] 34a_200000037920_200009817547 [0,1,0,0,0,0|3,0,0]=4 3109 B9R0.2 O=[N+]([O-])CCCCOCF 34a_200015379883_100015361967 [0,1,0,0,0,0|3,0,0]=4 3110 B9R0.2 O=[N+]([O-])CCCCOCF 7a_200015379883_100015361967 [0,1,0,0,0,0|3,0,0]=4 3111 B9R0.2 O=[N+]([O-])CCCOCCF 34a_200000037920_100011217306 [0,1,0,0,0,0|3,0,0]=4 3112 B9R0.2 O=[N+]([O-])CCCOCCO 34a_200000037920_100000211926 [0,1,0,0,0,0|3,0,0]=4 3113 B9R0.2 O=[N+]([O-])CNCCCCO 34a_100000750430_100000761209 [0,1,0,0,0,0|3,0,0]=4 3114 B9R0.2 O=[N+]([O-])COCCCCBr 34a_100011216708_100000761209 [0,1,0,0,0,0|3,0,0]=4 3115 B9R0.2 O=[N+]([O-])COCCCCCl 34a_100000210776_100000761209 [0,1,0,0,0,0|3,0,0]=4 3116 B9R0.2 O=[N+]([O-])COCCCCF 34a_100011995726_100000761209 [0,1,0,0,0,0|3,0,0]=4 3117 B9R0.2 O=[N+]([O-])COCCCCI 34a_200012148704_100000761209 [0,1,0,0,0,0|3,0,0]=4 3118 B9R0.2 O=[N+]([O-])CSCCCCF 62a_100000729493_100000761209 [0,1,0,0,0,0|3,0,0]=4 3119 B9R0.2 O=[N+]([O-])CSCCCCO 62a_100000210776_100000761209 [0,1,0,0,0,0|3,0,0]=4 3120 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|1,0,0]=2 3121 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,1,0,0,0,0|3,0,0]=4 3122 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,0,0,0,0|1,0,0]=2 3123 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,0,0,0,0|1,0,0]=2 3124 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,0,0,0,0|1,0,0]=2 3125 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,1,0,0,0,0|2,0,1]=4 3126 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,1,0,0,0,0|2,0,1]=4 3127 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,0,0,0,0|1,0,0]=2 3128 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,0,0,0,0|1,0,0]=2 3129 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [0,1,0,0,0,0|3,0,0]=4 3130 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,1,0,0,0,0|1,0,2]=4 3131 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,1,0,0,0,0|1,0,2]=4 3132 B9R0.5 C#CCC(C)OCCCC 34a_100000685586_100000210210 [0,1,0,0,0,0|2,0,1]=4 3133 B9R0.5 C#CCC(C)OCCCC 7a_100000685586_100000210211 [0,1,0,0,0,0|2,0,1]=4 3134 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,1,0,0,0,0|1,0,2]=4 3135 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,1,0,0,0,0|1,0,2]=4 3136 B9R0.5 C#CCCCN(C)CCC 2230a_100000747261_100000731252 [0,1,0,0,0,0|2,0,1]=4 3137 B9R0.5 C#CCCCN(C)CCC 269982a_100000747261_100011215417 [0,1,0,0,0,0|2,0,1]=4 3138 B9R0.5 C#CCCNC(C)CCC 2230a_100000741246_100000688953 [0,1,0,0,0,0|2,0,1]=4 3139 B9R0.5 C#CCCNC(C)CCC 34a_100000755551_100000766640 [0,1,0,0,0,0|2,0,1]=4 3140 B9R0.5 C#CCCOC(C)CCC 34a_100000764384_100000688953 [0,1,0,0,0,0|2,0,1]=4 3141 B9R0.5 C#CCCOC(C)CCC 34a_100011215631_100000766640 [0,1,0,0,0,0|2,0,1]=4 3142 B9R0.5 C#CCCOC(C)CCC 7a_100000764384_100000688953 [0,1,0,0,0,0|2,0,1]=4 3143 B9R0.5 C#CCCSC(C)CCC 62a_100000688953_100000766640 [0,1,0,0,0,0|2,0,1]=4 3144 B9R0.5 C#CCCSC(C)CCC 62a_100000766640_100000688953 [0,1,0,0,0,0|2,0,1]=4 3145 B9R0.5 C#CCN(C)CCCC=O 2230a_100000225692_200011292268 [0,1,0,0,0,0|1,0,2]=4 3146 B9R0.5 C#CCN(C)CCCCC 2230a_100000223495_100000038162 [0,1,0,0,0,0|2,0,1]=4 3147 B9R0.5 C#CCN(C)CCCCC 2230a_100000225692_100000210326 [0,1,0,0,0,0|2,0,1]=4 3148 B9R0.5 C#CCN(C)CCCCC 34a_100000225692_100000718602 [0,1,0,0,0,0|2,0,1]=4 3149 B9R0.5 C#CCNCC(C)CCC 34a_100000212058_100011216630 [0,1,0,0,0,0|2,0,1]=4 3150 B9R0.5 C#CCOCC(C)CCC 34a_100000210247_100011216630 [0,1,0,0,0,0|2,0,1]=4 3151 B9R0.5 C#CCOCC(C)CCC 34a_100000688023_100000184674 [0,1,0,0,0,0|2,0,1]=4 3152 B9R0.5 C#CCOCC(C)CCC 7a_100000688023_100000038162 [0,1,0,0,0,0|2,0,1]=4 3153 B9R0.5 C#CCOC[C@@H](N)CCC 34a_100000732646_100000184674 [0,1,0,0,0,0|2,0,1]=4 3154 B9R0.5 C#CCSCC(C)CCC 62a_100000038162_100011216630 [0,1,0,0,0,0|2,0,1]=4 3155 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,1,0,0,0,0|2,0,1]=4 3156 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [0,1,0,0,0,0|2,0,1]=4 3157 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [0,1,0,0,0,0|2,0,1]=4 3158 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [0,1,0,0,0,0|2,0,1]=4 3159 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [0,1,0,0,0,0|2,0,1]=4 3160 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [0,1,0,0,0,0|2,0,1]=4 3161 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|1,0,1]=3 3162 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|1,0,1]=3 3163 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,1,0,0,0,0|2,0,1]=4 3164 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,1,0,0,0,0|2,0,1]=4 3165 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,1,0,0,0,0|2,0,1]=4 3166 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,1,0,0,0,0|2,0,1]=4 3167 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,1,0,0,0,0|2,0,1]=4 3168 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,0,0,0,0|2,0,1]=4 3169 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,0,0,0,0|2,0,1]=4 3170 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,0,0,0,0|2,0,1]=4 3171 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,0,0,0,0|2,0,1]=4 3172 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,0,0,0,0|2,0,1]=4 3173 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,1,0,0,0,0|2,0,1]=4 3174 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,1,0,0,0,0|2,0,1]=4 3175 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,1,0,0,0,0|2,0,1]=4 3176 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,1,0,0,0,0|2,0,1]=4 3177 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,1,0,0,0,0|2,0,1]=4 3178 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,1,0,0,0,0|2,0,1]=4 3179 B9R0.5 C=CCC(C)COCC=O 34a_100009832082_200009817547 [0,1,0,0,0,0|1,0,2]=4 3180 B9R0.5 C=CCC(C)COCC=O 7a_100009832082_200015260668 [0,1,0,0,0,0|1,0,2]=4 3181 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [0,1,0,0,0,0|2,0,0]=3 3182 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [0,1,0,0,0,0|2,0,0]=3 3183 B9R0.5 C=CCC(C)COCCF 34a_100009832082_100011217306 [0,1,0,0,0,0|3,0,0]=4 3184 B9R0.5 C=CCC(C)COCCF 7a_100009832082_100011217306 [0,1,0,0,0,0|3,0,0]=4 3185 B9R0.5 C=CCC(C)COCCO 34a_100009832082_100000211926 [0,1,0,0,0,0|3,0,0]=4 3186 B9R0.5 C=CCC(C)COCCO 7a_100009832082_100000211926 [0,1,0,0,0,0|3,0,0]=4 3187 B9R0.5 C=CCC(C)COCSC 34a_100009832082_100011218213 [0,1,0,0,0,0|3,0,0]=4 3188 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,0,0,0,0|1,0,1]=3 3189 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,0,0,0,0|1,0,1]=3 3190 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,1,0,0,0,0|2,0,1]=4 3191 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,1,0,0,0,0|2,0,1]=4 3192 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,1,0,0,0,0|2,0,1]=4 3193 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,1,0,0,0,0|2,0,1]=4 3194 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,1,0,0,0,0|2,0,1]=4 3195 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 3196 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 3197 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,1,0,0,0,0|2,0,1]=4 3198 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [0,1,0,0,0,0|2,0,0]=3 3199 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [0,1,0,0,0,0|2,0,0]=3 3200 B9R0.5 C=CCCCN(C)CCO 2230a_100000210263_100011713584 [0,1,0,0,0,0|3,0,0]=4 3201 B9R0.5 C=CCCCN(C)CCO 269982a_100000210263_100000757094 [0,1,0,0,0,0|3,0,0]=4 3202 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,1,0,0,0,0|2,0,1]=4 3203 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,1,0,0,0,0|2,0,1]=4 3204 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,1,0,0,0,0|2,0,1]=4 3205 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,1,0,0,0,0|2,0,1]=4 3206 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [0,1,0,0,0,0|2,0,0]=3 3207 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [0,1,0,0,0,0|2,0,0]=3 3208 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [0,1,0,0,0,0|2,0,0]=3 3209 B9R0.5 C=CCCNC(C)CCO 2230a_100015191253_100009893172 [0,1,0,0,0,0|3,0,0]=4 3210 B9R0.5 C=CCCNC(C)COC 2230a_100015191253_100000765312 [0,1,0,0,0,0|3,0,0]=4 3211 B9R0.5 C=CCCNC(C)COC 270004a_100015191253_100000749346 [0,1,0,0,0,0|3,0,0]=4 3212 B9R0.5 C=CCCNC(C)CSC 270004a_100015191253_100011216314 [0,1,0,0,0,0|3,0,0]=4 3213 B9R0.5 C=CCCN[C@H](C)CCO 2230a_100000706166_100000754431 [0,1,0,0,0,0|3,0,0]=4 3214 B9R0.5 C=CCCN[C@H](C)CCO 34a_100000706166_100000754431 [0,1,0,0,0,0|3,0,0]=4 3215 B9R0.5 C=CCCN[C@H](C)COC 2230a_100000764878_100000754431 [0,1,0,0,0,0|3,0,0]=4 3216 B9R0.5 C=CCCOC(C)CCBr 34a_100012276601_100000754431 [0,1,0,0,0,0|3,0,0]=4 3217 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,1,0,0,0,0|2,0,0]=3 3218 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,1,0,0,0,0|2,0,0]=3 3219 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,1,0,0,0,0|2,0,0]=3 3220 B9R0.5 C=CCCOC(C)CCO 34a_100011205117_100009893172 [0,1,0,0,0,0|3,0,0]=4 3221 B9R0.5 C=CCCOC(C)COC 34a_100011205117_100000765312 [0,1,0,0,0,0|3,0,0]=4 3222 B9R0.5 C=CCCO[C@H](C)COC 34a_100011934205_100000754431 [0,1,0,0,0,0|3,0,0]=4 3223 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,1,0,0,0,0|2,0,0]=3 3224 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,1,0,0,0,0|2,0,0]=3 3225 B9R0.5 C=CCCSC(C)CCO 62a_100000754431_100009893172 [0,1,0,0,0,0|3,0,0]=4 3226 B9R0.5 C=CCCSC(C)CCO 62a_100009893172_100000754431 [0,1,0,0,0,0|3,0,0]=4 3227 B9R0.5 C=CCCSC(C)COC 62a_100000754431_100000765312 [0,1,0,0,0,0|3,0,0]=4 3228 B9R0.5 C=CCCSC(C)COC 62a_100000765312_100000754431 [0,1,0,0,0,0|3,0,0]=4 3229 B9R0.5 C=CCN(C)CCCC=O 2230a_100000225617_200011292268 [0,1,0,0,0,0|1,0,2]=4 3230 B9R0.5 C=CCN(C)CCCC=O 269982a_100000225617_200011292268 [0,1,0,0,0,0|1,0,2]=4 3231 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [0,1,0,0,0,0|2,0,0]=3 3232 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [0,1,0,0,0,0|2,0,0]=3 3233 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [0,1,0,0,0,0|2,0,0]=3 3234 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [0,1,0,0,0,0|2,0,0]=3 3235 B9R0.5 C=CCN(C)CCCCF 2230a_100000225617_100000729493 [0,1,0,0,0,0|3,0,0]=4 3236 B9R0.5 C=CCN(C)CCCCF 269982a_100000225617_100000729493 [0,1,0,0,0,0|3,0,0]=4 3237 B9R0.5 C=CCN(C)CCCCO 2230a_100000225617_100000210776 [0,1,0,0,0,0|3,0,0]=4 3238 B9R0.5 C=CCN(C)CCCCO 2230a_100000717598_100000210623 [0,1,0,0,0,0|3,0,0]=4 3239 B9R0.5 C=CCN(C)CCCCO 269982a_100000225617_100000210776 [0,1,0,0,0,0|3,0,0]=4 3240 B9R0.5 C=CCN(C)CCCCO 269982a_100000717598_100000210623 [0,1,0,0,0,0|3,0,0]=4 3241 B9R0.5 C=CCN(C)CCCOC 2230a_100000224831_100000210623 [0,1,0,0,0,0|3,0,0]=4 3242 B9R0.5 C=CCN(C)CCCOC 2230a_100000225617_100000740836 [0,1,0,0,0,0|3,0,0]=4 3243 B9R0.5 C=CCN(C)CCCOC 269982a_100000224831_100000210623 [0,1,0,0,0,0|3,0,0]=4 3244 B9R0.5 C=CCN(C)CCCOC 269982a_100000225617_100000740836 [0,1,0,0,0,0|3,0,0]=4 3245 B9R0.5 C=CCN(C)CCOCC 2230a_100000225617_100011215890 [0,1,0,0,0,0|3,0,0]=4 3246 B9R0.5 C=CCN(C)CCOCC 269982a_100000225617_100011215890 [0,1,0,0,0,0|3,0,0]=4 3247 B9R0.5 C=CCN(C)CCSCC 2230a_100000225617_100000757381 [0,1,0,0,0,0|3,0,0]=4 3248 B9R0.5 C=CCN(C)CCSCC 269982a_100000225617_100000757381 [0,1,0,0,0,0|3,0,0]=4 3249 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,1,0,0,0,0|2,0,1]=4 3250 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [0,1,0,0,0,0|2,0,0]=3 3251 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [0,1,0,0,0,0|2,0,0]=3 3252 B9R0.5 C=CCNCC(O)COC 2230a_100000756049_100000210623 [0,1,0,0,0,0|3,0,0]=4 3253 B9R0.5 C=CCNCC(O)COC 34a_100000756049_100015514636 [0,1,0,0,0,0|3,0,0]=4 3254 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [0,1,0,0,0,0|2,0,0]=3 3255 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [0,1,0,0,0,0|2,0,0]=3 3256 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [0,1,0,0,0,0|2,0,0]=3 3257 B9R0.5 C=CCOCC(C)CCN 34a_106354213184_100015514636 [0,1,0,0,0,0|3,0,0]=4 3258 B9R0.5 C=CCOCC(N)COC 34a_100000724102_100015514636 [0,1,0,0,0,0|3,0,0]=4 3259 B9R0.5 C=CCOCC(O)COC 34a_200000210373_100011215053 [0,1,0,0,0,0|3,0,0]=4 3260 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [0,1,0,0,0,0|2,0,0]=3 3261 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,1,0,0,0,0|2,0,1]=4 3262 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,1,0,0,0,0|2,0,1]=4 3263 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,1,0,0,0,0|2,0,1]=4 3264 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [0,1,0,0,0,0|2,0,0]=3 3265 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [0,1,0,0,0,0|2,0,0]=3 3266 B9R0.5 C=CCSCC(O)COC 62a_100000210623_100011215053 [0,1,0,0,0,0|3,0,0]=4 3267 B9R0.5 C=CCSCC(O)COC 62a_100011215053_100000210623 [0,1,0,0,0,0|3,0,0]=4 3268 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,1,0,0,0,0|2,0,0]=3 3269 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,1,0,0,0,0|2,0,0]=3 3270 B9R0.5 C=CC[C@@H](C)OCCCF 34a_100000731007_100011934791 [0,1,0,0,0,0|3,0,0]=4 3271 B9R0.5 C=CC[C@@H](C)OCCCF 7a_100000731007_100011934791 [0,1,0,0,0,0|3,0,0]=4 3272 B9R0.5 C=CC[C@@H](C)OCCCO 34a_100000731007_100000230001 [0,1,0,0,0,0|3,0,0]=4 3273 B9R0.5 C=CC[C@@H](C)OCCCO 7a_100000731007_100011215043 [0,1,0,0,0,0|3,0,0]=4 3274 B9R0.5 C=CC[C@@H](C)OCCOC 34a_100000731007_100011201679 [0,1,0,0,0,0|3,0,0]=4 3275 B9R0.5 C=CC[C@@H](C)OCCOC 7a_100000731007_100000233755 [0,1,0,0,0,0|3,0,0]=4 3276 B9R0.5 C=CC[C@@H](C)OCCSC 34a_100000731007_100000212216 [0,1,0,0,0,0|3,0,0]=4 3277 B9R0.5 C=CC[C@@H](C)OCCSC 7a_100000731007_100000212216 [0,1,0,0,0,0|3,0,0]=4 3278 B9R0.5 C=CC[C@@H](N)COCC=O 34a_100020615467_200009817547 [0,1,0,0,0,0|1,0,2]=4 3279 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [0,1,0,0,0,0|2,0,0]=3 3280 B9R0.5 C=CC[C@@H](N)COCCF 34a_100020615467_100011217306 [0,1,0,0,0,0|3,0,0]=4 3281 B9R0.5 C=CC[C@@H](N)COCCO 34a_100020615467_100000211926 [0,1,0,0,0,0|3,0,0]=4 3282 B9R0.5 C=CC[C@@H](N)COCSC 34a_100020615467_100011218213 [0,1,0,0,0,0|3,0,0]=4 3283 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,1,0,0,0,0|2,0,1]=4 3284 B9R0.5 C=COCCN(C)CCC 2230a_100000747261_100000039644 [0,1,0,0,0,0|3,0,0]=4 3285 B9R0.5 C=COCCN(C)CCC 269982a_100000747261_100000039644 [0,1,0,0,0,0|3,0,0]=4 3286 B9R0.5 CC(CCN)COCC=O 34a_106354213184_200009817547 [0,1,0,0,0,0|2,0,0]=3 3287 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|1,0,2]=4 3288 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [0,1,0,0,0,0|2,0,1]=4 3289 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [0,1,0,0,0,0|2,0,1]=4 3290 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [0,1,0,0,0,0|2,0,1]=4 3291 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [0,1,0,0,0,0|2,0,1]=4 3292 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [0,1,0,0,0,0|2,0,1]=4 3293 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,1,0,0,0,0|1,0,2]=4 3294 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,1,0,0,0,0|1,0,2]=4 3295 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|1,0,2]=4 3296 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|0,0,3]=4 3297 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|0,0,3]=4 3298 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|2,0,1]=4 3299 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|2,0,1]=4 3300 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|2,0,1]=4 3301 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,1,0,0,0,0|1,0,1]=3 3302 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,1,0,0,0,0|1,0,1]=3 3303 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,1,0,0,0,0|2,0,0]=3 3304 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,1,0,0,0,0|2,0,0]=3 3305 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,1,0,0,0,0|2,0,0]=3 3306 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,1,0,0,0,0|2,0,0]=3 3307 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,1,0,0,0,0|2,0,1]=4 3308 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,1,0,0,0,0|2,0,1]=4 3309 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [0,1,0,0,0,0|2,0,1]=4 3310 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [0,1,0,0,0,0|2,0,1]=4 3311 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [0,1,0,0,0,0|2,0,1]=4 3312 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [0,1,0,0,0,0|1,0,2]=4 3313 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [0,1,0,0,0,0|1,0,2]=4 3314 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [0,1,0,0,0,0|1,0,2]=4 3315 B9R0.5 CCCC(C)COCC#N 7a_100000688023_100011215382 [0,1,0,0,0,0|2,0,1]=4 3316 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [0,1,0,0,0,0|1,0,0]=2 3317 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [0,1,0,0,0,0|1,0,0]=2 3318 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [0,1,0,0,0,0|2,0,1]=4 3319 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [0,1,0,0,0,0|2,0,1]=4 3320 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [0,1,0,0,0,0|2,0,1]=4 3321 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [0,1,0,0,0,0|2,0,1]=4 3322 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [0,1,0,0,0,0|1,0,2]=4 3323 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [0,1,0,0,0,0|1,0,2]=4 3324 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [0,1,0,0,0,0|3,0,0]=4 3325 B9R0.5 CCCC(C)CSCC#N 62a_100011215382_100011216630 [0,1,0,0,0,0|2,0,1]=4 3326 B9R0.5 CCCC(C)CSCC#N 62a_100011216630_100011215382 [0,1,0,0,0,0|2,0,1]=4 3327 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [0,1,0,0,0,0|1,0,0]=2 3328 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [0,1,0,0,0,0|1,0,0]=2 3329 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [0,1,0,0,0,0|2,0,1]=4 3330 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [0,1,0,0,0,0|2,0,1]=4 3331 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [0,1,0,0,0,0|1,0,2]=4 3332 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [0,1,0,0,0,0|1,0,2]=4 3333 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [0,1,0,0,0,0|3,0,0]=4 3334 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [0,1,0,0,0,0|3,0,0]=4 3335 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [0,1,0,0,0,0|3,0,0]=4 3336 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [0,1,0,0,0,0|3,0,0]=4 3337 B9R0.5 CCCC(C)NCCC#N 2230a_100000741246_100011215226 [0,1,0,0,0,0|2,0,1]=4 3338 B9R0.5 CCCC(C)NCCC#N 270004a_100000720768_100000211909 [0,1,0,0,0,0|2,0,1]=4 3339 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [0,1,0,0,0,0|2,0,1]=4 3340 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [0,1,0,0,0,0|2,0,1]=4 3341 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [0,1,0,0,0,0|2,0,1]=4 3342 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [0,1,0,0,0,0|2,0,1]=4 3343 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [0,1,0,0,0,0|1,0,2]=4 3344 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [0,1,0,0,0,0|1,0,2]=4 3345 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [0,1,0,0,0,0|3,0,0]=4 3346 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [0,1,0,0,0,0|3,0,0]=4 3347 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [0,1,0,0,0,0|3,0,0]=4 3348 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [0,1,0,0,0,0|3,0,0]=4 3349 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [0,1,0,0,0,0|3,0,0]=4 3350 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [0,1,0,0,0,0|3,0,0]=4 3351 B9R0.5 CCCC(C)OCCC#N 7a_100000764384_100000184422 [0,1,0,0,0,0|2,0,1]=4 3352 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [0,1,0,0,0,0|2,0,1]=4 3353 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [0,1,0,0,0,0|2,0,1]=4 3354 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [0,1,0,0,0,0|2,0,1]=4 3355 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [0,1,0,0,0,0|2,0,1]=4 3356 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [0,1,0,0,0,0|2,0,1]=4 3357 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [0,1,0,0,0,0|2,0,1]=4 3358 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,1,0,0,0,0|1,0,2]=4 3359 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,1,0,0,0,0|1,0,2]=4 3360 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [0,1,0,0,0,0|3,0,0]=4 3361 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [0,1,0,0,0,0|3,0,0]=4 3362 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [0,1,0,0,0,0|3,0,0]=4 3363 B9R0.5 CCCC(C)OCCON 34a_100000700252_100000766640 [0,1,0,0,0,0|3,0,0]=4 3364 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,1,0,0,0,0|3,0,0]=4 3365 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,1,0,0,0,0|3,0,0]=4 3366 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,1,0,0,0,0|3,0,0]=4 3367 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,1,0,0,0,0|3,0,0]=4 3368 B9R0.5 CCCC(C)SCCC#N 62a_100000766640_100011215226 [0,1,0,0,0,0|2,0,1]=4 3369 B9R0.5 CCCC(C)SCCC#N 62a_100011215226_100000766640 [0,1,0,0,0,0|2,0,1]=4 3370 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [0,1,0,0,0,0|2,0,1]=4 3371 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [0,1,0,0,0,0|2,0,1]=4 3372 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [0,1,0,0,0,0|1,0,2]=4 3373 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [0,1,0,0,0,0|1,0,2]=4 3374 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [0,1,0,0,0,0|3,0,0]=4 3375 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [0,1,0,0,0,0|3,0,0]=4 3376 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [0,1,0,0,0,0|3,0,0]=4 3377 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [0,1,0,0,0,0|3,0,0]=4 3378 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,0,0,0,0|1,0,2]=4 3379 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,0,0,0,0|1,0,2]=4 3380 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,0,0,0,0|1,0,2]=4 3381 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,1,0,0,0,0|1,0,2]=4 3382 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,1,0,0,0,0|1,0,2]=4 3383 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|1,0,2]=4 3384 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|1,0,2]=4 3385 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|1,0,2]=4 3386 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|0,0,3]=4 3387 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|0,0,3]=4 3388 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|2,0,1]=4 3389 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|2,0,1]=4 3390 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|2,0,1]=4 3391 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|2,0,1]=4 3392 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|2,0,1]=4 3393 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|2,0,1]=4 3394 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|2,0,1]=4 3395 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|2,0,1]=4 3396 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|2,0,1]=4 3397 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|2,0,1]=4 3398 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,1,0,0,0,0|2,0,1]=4 3399 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,1,0,0,0,0|2,0,1]=4 3400 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,1,0,0,0,0|2,0,1]=4 3401 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,0,0,0,0|2,0,1]=4 3402 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,0,0,0,0|2,0,1]=4 3403 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,0,0,0,0|2,0,1]=4 3404 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,1,0,0,0,0|2,0,1]=4 3405 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,1,0,0,0,0|2,0,1]=4 3406 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,1,0,0,0,0|2,0,1]=4 3407 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,1,0,0,0,0|2,0,1]=4 3408 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,1,0,0,0,0|2,0,1]=4 3409 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,1,0,0,0,0|2,0,1]=4 3410 B9R0.5 CCCCCN(C)CC#N 2230a_100000223495_100011215382 [0,1,0,0,0,0|2,0,1]=4 3411 B9R0.5 CCCCCN(C)CC#N 2230a_100000748184_100000210326 [0,1,0,0,0,0|2,0,1]=4 3412 B9R0.5 CCCCCN(C)CC#N 269982a_100000223495_100011214920 [0,1,0,0,0,0|2,0,1]=4 3413 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [0,1,0,0,0,0|1,0,0]=2 3414 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [0,1,0,0,0,0|1,0,0]=2 3415 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,1,0,0,0,0|2,0,1]=4 3416 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,1,0,0,0,0|2,0,1]=4 3417 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,1,0,0,0,0|2,0,1]=4 3418 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,1,0,0,0,0|2,0,1]=4 3419 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,1,0,0,0,0|2,0,1]=4 3420 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,1,0,0,0,0|2,0,1]=4 3421 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [0,1,0,0,0,0|2,0,1]=4 3422 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [0,1,0,0,0,0|2,0,1]=4 3423 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,1,0,0,0,0|1,0,2]=4 3424 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,1,0,0,0,0|1,0,2]=4 3425 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,1,0,0,0,0|1,0,2]=4 3426 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,1,0,0,0,0|1,0,2]=4 3427 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,1,0,0,0,0|1,0,2]=4 3428 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,1,0,0,0,0|1,0,2]=4 3429 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,1,0,0,0,0|3,0,0]=4 3430 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,1,0,0,0,0|3,0,0]=4 3431 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [0,1,0,0,0,0|3,0,0]=4 3432 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [0,1,0,0,0,0|3,0,0]=4 3433 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,1,0,0,0,0|2,0,1]=4 3434 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,1,0,0,0,0|2,0,1]=4 3435 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,1,0,0,0,0|1,0,2]=4 3436 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,1,0,0,0,0|1,0,2]=4 3437 B9R0.5 CCCCNC(C)CC#N 2230a_100000102301_100009813641 [0,1,0,0,0,0|2,0,1]=4 3438 B9R0.5 CCCCNC(C)CC#N 7a_106832991798_100009813641 [0,1,0,0,0,0|2,0,1]=4 3439 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,1,0,0,0,0|2,0,1]=4 3440 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,1,0,0,0,0|2,0,1]=4 3441 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,1,0,0,0,0|2,0,1]=4 3442 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,1,0,0,0,0|2,0,1]=4 3443 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [0,1,0,0,0,0|1,0,2]=4 3444 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [0,1,0,0,0,0|1,0,2]=4 3445 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,1,0,0,0,0|3,0,0]=4 3446 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,1,0,0,0,0|3,0,0]=4 3447 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,1,0,0,0,0|3,0,0]=4 3448 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [0,1,0,0,0,0|3,0,0]=4 3449 B9R0.5 CCCCN[C@@H](C)CC#N 2230a_100016994482_100000210211 [0,1,0,0,0,0|2,0,1]=4 3450 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [0,1,0,0,0,0|1,0,2]=4 3451 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [0,1,0,0,0,0|1,0,2]=4 3452 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,1,0,0,0,0|3,0,0]=4 3453 B9R0.5 CCCCOC(C)CC#N 7a_100000210227_100009813641 [0,1,0,0,0,0|2,0,1]=4 3454 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,1,0,0,0,0|2,0,1]=4 3455 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,1,0,0,0,0|2,0,1]=4 3456 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,1,0,0,0,0|2,0,1]=4 3457 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,1,0,0,0,0|2,0,1]=4 3458 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,1,0,0,0,0|2,0,1]=4 3459 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,1,0,0,0,0|1,0,2]=4 3460 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,1,0,0,0,0|1,0,2]=4 3461 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,1,0,0,0,0|3,0,0]=4 3462 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,1,0,0,0,0|3,0,0]=4 3463 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,1,0,0,0,0|3,0,0]=4 3464 B9R0.5 CCCCSC(C)CC#N 62a_100000210211_100009813641 [0,1,0,0,0,0|2,0,1]=4 3465 B9R0.5 CCCCSC(C)CC#N 62a_100009813641_100000210210 [0,1,0,0,0,0|2,0,1]=4 3466 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,1,0,0,0,0|2,0,1]=4 3467 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,1,0,0,0,0|2,0,1]=4 3468 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,1,0,0,0,0|1,0,2]=4 3469 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,1,0,0,0,0|1,0,2]=4 3470 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,1,0,0,0,0|3,0,0]=4 3471 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,1,0,0,0,0|3,0,0]=4 3472 B9R0.5 CCCN(C)CCCC#N 2230a_100000747261_100000687738 [0,1,0,0,0,0|2,0,1]=4 3473 B9R0.5 CCCN(C)CCCC#N 269982a_100000747261_100000687738 [0,1,0,0,0,0|2,0,1]=4 3474 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [0,1,0,0,0,0|1,0,0]=2 3475 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [0,1,0,0,0,0|1,0,0]=2 3476 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [0,1,0,0,0,0|2,0,1]=4 3477 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [0,1,0,0,0,0|2,0,1]=4 3478 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,1,0,0,0,0|1,0,2]=4 3479 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,1,0,0,0,0|1,0,2]=4 3480 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,1,0,0,0,0|1,0,2]=4 3481 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,1,0,0,0,0|1,0,2]=4 3482 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 3483 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 3484 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 3485 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 3486 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,1,0,0,0,0|2,0,1]=4 3487 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,1,0,0,0,0|3,0,0]=4 3488 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,1,0,0,0,0|3,0,0]=4 3489 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,1,0,0,0,0|2,0,1]=4 3490 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,1,0,0,0,0|2,0,1]=4 3491 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,1,0,0,0,0|2,0,1]=4 3492 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [0,1,0,0,0,0|2,0,1]=4 3493 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,1,0,0,0,0|3,0,0]=4 3494 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,0,0,0,0|3,0,0]=4 3495 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,1,0,0,0,0|2,0,1]=4 3496 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,1,0,0,0,0|2,0,1]=4 3497 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,1,0,0,0,0|2,0,1]=4 3498 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,1,0,0,0,0|3,0,0]=4 3499 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,1,0,0,0,0|3,0,0]=4 3500 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000001066_100000210303 [0,1,0,0,0,0|2,0,1]=4 3501 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000210303_100000001066 [0,1,0,0,0,0|2,0,1]=4 3502 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,1,0,0,0,0|2,0,1]=4 3503 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [0,1,0,0,0,0|2,0,1]=4 3504 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [0,1,0,0,0,0|1,0,0]=2 3505 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [0,1,0,0,0,0|2,0,1]=4 3506 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [0,1,0,0,0,0|1,0,2]=4 3507 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [0,1,0,0,0,0|3,0,0]=4 3508 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,1,0,0,0,0|2,0,1]=4 3509 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,1,0,0,0,0|2,0,1]=4 3510 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,1,0,0,0,0|2,0,1]=4 3511 B9R0.5 CCNC(C)CCCC#N 270004a_100015525214_200000032708 [0,1,0,0,0,0|2,0,1]=4 3512 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,1,0,0,0,0|3,0,0]=4 3513 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,1,0,0,0,0|2,0,1]=4 3514 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,1,0,0,0,0|2,0,1]=4 3515 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,0,0,0,0|3,0,0]=4 3516 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,0,0,0,0|3,0,0]=4 3517 B9R0.5 CN(CC#N)CCCC=O 2230a_100000748184_200011292268 [0,1,0,0,0,0|2,0,1]=4 3518 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [0,1,0,0,0,0|2,0,0]=3 3519 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [0,1,0,0,0,0|2,0,0]=3 3520 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [0,1,0,0,0,0|2,0,0]=3 3521 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [0,1,0,0,0,0|2,0,0]=3 3522 B9R0.5 COCC(N)COCC=O 34a_100000724102_200009817547 [0,1,0,0,0,0|2,0,0]=3 3523 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [0,1,0,0,0,0|2,0,0]=3 3524 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [0,1,0,0,0,0|2,0,0]=3 3525 B9R0.5 COCC(O)CSCC=O 62a_100011215053_200015260668 [0,1,0,0,0,0|2,0,0]=3 3526 B9R0.5 COCC(O)CSCC=O 62a_200015260668_100011215053 [0,1,0,0,0,0|2,0,0]=3 3527 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [0,1,0,0,0,0|2,0,0]=3 3528 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [0,1,0,0,0,0|2,0,0]=3 3529 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [0,1,0,0,0,0|2,0,1]=4 3530 B9R0.5 N#CC[C@H](O)CSCC=O 62a_100000001066_200015260668 [0,1,0,0,0,0|2,0,1]=4 3531 B9R0.5 N#CC[C@H](O)CSCC=O 62a_200015260668_100000001066 [0,1,0,0,0,0|2,0,1]=4 3532 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [0,1,0,0,0,0|2,0,1]=4 3533 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,1,0,0,0,0|1,0,2]=4 3534 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,1,0,0,0,0|1,0,2]=4 3535 B9R0.18 C#CCCN(C)CCCC 2230a_100000207549_100000688953 [0,1,0,0,0,0|2,0,1]=4 3536 B9R0.18 C#CCCN(C)CCCC 269982a_100000207549_100000730999 [0,1,0,0,0,0|2,0,1]=4 3537 B9R0.18 C#CCNC(C)CCCC 2230a_100000126638_100000038162 [0,1,0,0,0,0|2,0,1]=4 3538 B9R0.18 C#CCNC(C)CCCC 34a_100000212058_200011215066 [0,1,0,0,0,0|2,0,1]=4 3539 B9R0.18 C#CCOC(C)CCCC 34a_100000210247_200011215066 [0,1,0,0,0,0|2,0,1]=4 3540 B9R0.18 C#CCOC(C)CCCC 34a_100000687866_100000184674 [0,1,0,0,0,0|2,0,1]=4 3541 B9R0.18 C#CCOC(C)CCCC 7a_100000687866_100000038162 [0,1,0,0,0,0|2,0,1]=4 3542 B9R0.18 C#CCSC(C)CCCC 62a_100000038162_200011215066 [0,1,0,0,0,0|2,0,1]=4 3543 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,1,0,0,0,0|1,0,2]=4 3544 B9R0.18 C/C=C/CN(C)CCCC 269982a_100000207549_100102629194 [0,1,0,0,0,0|2,0,1]=4 3545 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,1,0,0,0,0|1,0,1]=3 3546 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,1,0,0,0,0|1,0,1]=3 3547 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,1,0,0,0,0|2,0,1]=4 3548 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,1,0,0,0,0|2,0,1]=4 3549 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,1,0,0,0,0|2,0,1]=4 3550 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,1,0,0,0,0|2,0,1]=4 3551 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,1,0,0,0,0|2,0,1]=4 3552 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,1,0,0,0,0|2,0,1]=4 3553 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,1,0,0,0,0|2,0,1]=4 3554 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,1,0,0,0,0|2,0,1]=4 3555 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,1,0,0,0,0|2,0,1]=4 3556 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,1,0,0,0,0|2,0,1]=4 3557 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,1,0,0,0,0|2,0,1]=4 3558 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,1,0,0,0,0|2,0,1]=4 3559 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [0,1,0,0,0,0|2,0,0]=3 3560 B9R0.18 C=CCCC(C)NCCO 270004a_100000210304_100000762624 [0,1,0,0,0,0|3,0,0]=4 3561 B9R0.18 C=CCCC(C)OCC=O 34a_100000765329_200009817547 [0,1,0,0,0,0|1,0,2]=4 3562 B9R0.18 C=CCCC(C)OCC=O 7a_100000765329_200015260668 [0,1,0,0,0,0|1,0,2]=4 3563 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [0,1,0,0,0,0|2,0,0]=3 3564 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [0,1,0,0,0,0|2,0,0]=3 3565 B9R0.18 C=CCCC(C)OCCF 34a_100000765329_100011217306 [0,1,0,0,0,0|3,0,0]=4 3566 B9R0.18 C=CCCC(C)OCCF 7a_100000765329_100011217306 [0,1,0,0,0,0|3,0,0]=4 3567 B9R0.18 C=CCCC(C)OCCO 34a_100000765329_100000211926 [0,1,0,0,0,0|3,0,0]=4 3568 B9R0.18 C=CCCC(C)OCCO 7a_100000765329_100000211926 [0,1,0,0,0,0|3,0,0]=4 3569 B9R0.18 C=CCCC(C)OCSC 34a_100000765329_100011218213 [0,1,0,0,0,0|3,0,0]=4 3570 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [0,1,0,0,0,0|2,0,0]=3 3571 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [0,1,0,0,0,0|2,0,0]=3 3572 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [0,1,0,0,0,0|2,0,0]=3 3573 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [0,1,0,0,0,0|2,0,0]=3 3574 B9R0.18 C=CCCN(C)CCCF 2230a_100020639649_100011934791 [0,1,0,0,0,0|3,0,0]=4 3575 B9R0.18 C=CCCN(C)CCCF 269982a_100020639649_100011934791 [0,1,0,0,0,0|3,0,0]=4 3576 B9R0.18 C=CCCN(C)CCCO 2230a_100000213112_100000754431 [0,1,0,0,0,0|3,0,0]=4 3577 B9R0.18 C=CCCN(C)CCCO 2230a_100020639649_100000230001 [0,1,0,0,0,0|3,0,0]=4 3578 B9R0.18 C=CCCN(C)CCCO 269982a_100000213112_100000754431 [0,1,0,0,0,0|3,0,0]=4 3579 B9R0.18 C=CCCN(C)CCCO 269982a_100020639649_100011215043 [0,1,0,0,0,0|3,0,0]=4 3580 B9R0.18 C=CCCN(C)CCOC 2230a_100000743101_100000754431 [0,1,0,0,0,0|3,0,0]=4 3581 B9R0.18 C=CCCN(C)CCOC 2230a_100011698344_200000210301 [0,1,0,0,0,0|3,0,0]=4 3582 B9R0.18 C=CCCN(C)CCOC 2230a_100020639649_100011201679 [0,1,0,0,0,0|3,0,0]=4 3583 B9R0.18 C=CCCN(C)CCOC 269982a_100000743101_100000754431 [0,1,0,0,0,0|3,0,0]=4 3584 B9R0.18 C=CCCN(C)CCOC 269982a_100011698344_200000210301 [0,1,0,0,0,0|3,0,0]=4 3585 B9R0.18 C=CCCN(C)CCOC 269982a_100020639649_100000233755 [0,1,0,0,0,0|3,0,0]=4 3586 B9R0.18 C=CCCN(C)CCSC 2230a_100000686725_100000754431 [0,1,0,0,0,0|3,0,0]=4 3587 B9R0.18 C=CCCN(C)CCSC 2230a_100020639649_100000751147 [0,1,0,0,0,0|3,0,0]=4 3588 B9R0.18 C=CCCN(C)CCSC 269982a_100000686725_100000754431 [0,1,0,0,0,0|3,0,0]=4 3589 B9R0.18 C=CCCN(C)CCSC 269982a_100020639649_100000212216 [0,1,0,0,0,0|3,0,0]=4 3590 B9R0.18 C=CCCN(C)COCC 269982a_100020639649_100000739092 [0,1,0,0,0,0|3,0,0]=4 3591 B9R0.18 C=CCCN([13CH3])CCOC 2230a_100011698344_200025704644 [0,1,0,0,0,0|3,0,0]=4 3592 B9R0.18 C=CCCN([13CH3])CCOC 269982a_100011698344_200025704644 [0,1,0,0,0,0|3,0,0]=4 3593 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,1,0,0,0,0|2,0,1]=4 3594 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,1,0,0,0,0|2,0,1]=4 3595 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,1,0,0,0,0|2,0,1]=4 3596 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [0,1,0,0,0,0|2,0,0]=3 3597 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [0,1,0,0,0,0|2,0,0]=3 3598 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [0,1,0,0,0,0|2,0,0]=3 3599 B9R0.18 C=CCNC(C)CCOC 270004a_100020586998_100000742357 [0,1,0,0,0,0|3,0,0]=4 3600 B9R0.18 C=CCNC(C)CCSC 270004a_100020586998_100011217047 [0,1,0,0,0,0|3,0,0]=4 3601 B9R0.18 C=CCNC(C)CSCC 270004a_100020586998_200011216171 [0,1,0,0,0,0|3,0,0]=4 3602 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,1,0,0,0,0|2,0,0]=3 3603 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,1,0,0,0,0|2,0,0]=3 3604 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,1,0,0,0,0|2,0,0]=3 3605 B9R0.18 C=CCOC(C)CCCCl 34a_200000718107_100015514636 [0,1,0,0,0,0|3,0,0]=4 3606 B9R0.18 C=CCOC(C)CCCCl 7a_200000718107_100015514636 [0,1,0,0,0,0|3,0,0]=4 3607 B9R0.18 C=CCOC(C)COCC 34a_100000718985_100015514636 [0,1,0,0,0,0|3,0,0]=4 3608 B9R0.18 C=CCOC(C)COCC 7a_100000718985_100015514636 [0,1,0,0,0,0|3,0,0]=4 3609 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [0,1,0,0,0,0|2,0,0]=3 3610 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [0,1,0,0,0,0|2,0,0]=3 3611 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [0,1,0,0,0,0|2,0,0]=3 3612 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [0,1,0,0,0,0|2,0,0]=3 3613 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,1,0,0,0,0|1,0,2]=4 3614 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,1,0,0,0,0|1,0,2]=4 3615 B9R0.18 CC=CCN(C)CCCC 2230a_100000207549_100000070051 [0,1,0,0,0,0|2,0,1]=4 3616 B9R0.18 CCC#CC(C)OCC=O 34a_100000033903_200009817547 [0,1,0,0,0,0|1,0,2]=4 3617 B9R0.18 CCC#CC(C)OCC=O 7a_100000033903_200015260668 [0,1,0,0,0,0|1,0,2]=4 3618 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,1,0,0,0,0|1,0,2]=4 3619 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,1,0,0,0,0|1,0,2]=4 3620 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,1,0,0,0,0|1,0,2]=4 3621 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,1,0,0,0,0|1,0,2]=4 3622 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,1,0,0,0,0|0,0,3]=4 3623 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,1,0,0,0,0|2,0,1]=4 3624 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,1,0,0,0,0|2,0,1]=4 3625 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,1,0,0,0,0|2,0,1]=4 3626 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,1,0,0,0,0|2,0,1]=4 3627 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,1,0,0,0,0|2,0,1]=4 3628 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,1,0,0,0,0|2,0,1]=4 3629 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [0,1,0,0,0,0|2,0,1]=4 3630 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [0,1,0,0,0,0|2,0,1]=4 3631 B9R0.18 CCCCC(C)NCC#N 2230a_100000126638_100011215382 [0,1,0,0,0,0|2,0,1]=4 3632 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [0,1,0,0,0,0|1,0,0]=2 3633 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [0,1,0,0,0,0|2,0,1]=4 3634 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [0,1,0,0,0,0|2,0,1]=4 3635 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [0,1,0,0,0,0|2,0,1]=4 3636 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [0,1,0,0,0,0|2,0,1]=4 3637 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [0,1,0,0,0,0|1,0,2]=4 3638 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [0,1,0,0,0,0|1,0,2]=4 3639 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [0,1,0,0,0,0|1,0,2]=4 3640 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [0,1,0,0,0,0|1,0,2]=4 3641 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [0,1,0,0,0,0|3,0,0]=4 3642 B9R0.18 CCCCC(C)NCSC 2230a_100000126638_100011218213 [0,1,0,0,0,0|3,0,0]=4 3643 B9R0.18 CCCCC(C)OCC#N 7a_100000687866_100011215382 [0,1,0,0,0,0|2,0,1]=4 3644 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,1,0,0,0,0|1,0,0]=2 3645 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,1,0,0,0,0|1,0,0]=2 3646 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,1,0,0,0,0|2,0,1]=4 3647 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,1,0,0,0,0|2,0,1]=4 3648 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,1,0,0,0,0|2,0,1]=4 3649 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,1,0,0,0,0|2,0,1]=4 3650 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,1,0,0,0,0|2,0,1]=4 3651 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,1,0,0,0,0|2,0,1]=4 3652 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,1,0,0,0,0|2,0,1]=4 3653 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,1,0,0,0,0|1,0,2]=4 3654 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,1,0,0,0,0|1,0,2]=4 3655 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,1,0,0,0,0|3,0,0]=4 3656 B9R0.18 CCCCC(C)SCC#N 62a_100011215382_200011215066 [0,1,0,0,0,0|2,0,1]=4 3657 B9R0.18 CCCCC(C)SCC#N 62a_200011215066_100011215382 [0,1,0,0,0,0|2,0,1]=4 3658 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [0,1,0,0,0,0|1,0,0]=2 3659 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [0,1,0,0,0,0|1,0,0]=2 3660 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [0,1,0,0,0,0|2,0,1]=4 3661 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [0,1,0,0,0,0|2,0,1]=4 3662 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [0,1,0,0,0,0|2,0,1]=4 3663 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [0,1,0,0,0,0|2,0,1]=4 3664 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [0,1,0,0,0,0|1,0,2]=4 3665 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [0,1,0,0,0,0|1,0,2]=4 3666 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [0,1,0,0,0,0|3,0,0]=4 3667 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [0,1,0,0,0,0|3,0,0]=4 3668 B9R0.18 CCCCC(C)SCSC 62a_100011218213_200011215066 [0,1,0,0,0,0|3,0,0]=4 3669 B9R0.18 CCCCC(C)SCSC 62a_200011215066_100011218213 [0,1,0,0,0,0|3,0,0]=4 3670 B9R0.18 CCCCN(C)CCC#N 2230a_100000184479_100000210211 [0,1,0,0,0,0|2,0,1]=4 3671 B9R0.18 CCCCN(C)CCC#N 2230a_100000207549_100011215226 [0,1,0,0,0,0|2,0,1]=4 3672 B9R0.18 CCCCN(C)CCC#N 2230a_200000177648_200000210301 [0,1,0,0,0,0|2,0,1]=4 3673 B9R0.18 CCCCN(C)CCC#N 269982a_100000207549_100011215226 [0,1,0,0,0,0|2,0,1]=4 3674 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [0,1,0,0,0,0|2,0,1]=4 3675 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [0,1,0,0,0,0|2,0,1]=4 3676 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [0,1,0,0,0,0|2,0,1]=4 3677 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [0,1,0,0,0,0|2,0,1]=4 3678 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [0,1,0,0,0,0|2,0,1]=4 3679 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [0,1,0,0,0,0|2,0,1]=4 3680 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [0,1,0,0,0,0|1,0,2]=4 3681 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [0,1,0,0,0,0|1,0,2]=4 3682 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [0,1,0,0,0,0|1,0,2]=4 3683 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [0,1,0,0,0,0|1,0,2]=4 3684 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [0,1,0,0,0,0|3,0,0]=4 3685 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [0,1,0,0,0,0|3,0,0]=4 3686 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [0,1,0,0,0,0|3,0,0]=4 3687 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [0,1,0,0,0,0|3,0,0]=4 3688 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [0,1,0,0,0,0|3,0,0]=4 3689 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [0,1,0,0,0,0|3,0,0]=4 3690 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [0,1,0,0,0,0|3,0,0]=4 3691 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [0,1,0,0,0,0|3,0,0]=4 3692 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [0,1,0,0,0,0|3,0,0]=4 3693 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [0,1,0,0,0,0|3,0,0]=4 3694 B9R0.18 CCCCN([13CH3])CCC#N 2230a_200000177648_200025704644 [0,1,0,0,0,0|2,0,1]=4 3695 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [0,1,0,0,0,0|2,0,1]=4 3696 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [0,1,0,0,0,0|2,0,1]=4 3697 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [0,1,0,0,0,0|3,0,0]=4 3698 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [0,1,0,0,0,0|3,0,0]=4 3699 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,1,0,0,0,0|2,0,1]=4 3700 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [0,1,0,0,0,0|2,0,1]=4 3701 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [0,1,0,0,0,0|3,0,0]=4 3702 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [0,1,0,0,0,0|3,0,0]=4 3703 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [0,1,0,0,0,0|2,0,1]=4 3704 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [0,1,0,0,0,0|2,0,1]=4 3705 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [0,1,0,0,0,0|1,0,2]=4 3706 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [0,1,0,0,0,0|1,0,2]=4 3707 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [0,1,0,0,0,0|2,0,0]=3 3708 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [0,1,0,0,0,0|2,0,0]=3 3709 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,1,0,0,0,0|3,0,0]=4 3710 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [0,1,0,0,0,0|1,0,1]=3 3711 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [0,1,0,0,0,0|1,0,1]=3 3712 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [0,1,0,0,0,0|1,0,1]=3 3713 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [0,1,0,0,0,0|1,0,1]=3 3714 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [0,1,0,0,0,0|1,0,1]=3 3715 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [0,1,0,0,0,0|1,0,1]=3 3716 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [0,1,0,0,0,0|1,0,1]=3 3717 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [0,1,0,0,0,0|1,0,1]=3 3718 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [0,1,0,0,0,0|1,0,1]=3 3719 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [0,1,0,0,0,0|1,0,1]=3 3720 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [0,1,0,0,0,0|1,0,1]=3 3721 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [0,1,0,0,0,0|1,0,1]=3 3722 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [0,1,0,0,0,0|1,0,1]=3 3723 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [0,1,0,0,0,0|1,0,1]=3 3724 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [0,1,0,0,0,0|1,0,1]=3 3725 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [0,1,0,0,0,0|1,0,1]=3 3726 B9R0.45 C#CCCCCCOCF 34a_100000766912_100015361967 [0,1,0,0,0,0|2,0,1]=4 3727 B9R0.45 C#CCCCCCOCF 7a_100000766912_100015361967 [0,1,0,0,0,0|2,0,1]=4 3728 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [0,1,0,0,0,0|1,0,1]=3 3729 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [0,1,0,0,0,0|1,0,1]=3 3730 B9R0.45 C#CCCCCCSCF 62a_100012094781_100015361967 [0,1,0,0,0,0|2,0,1]=4 3731 B9R0.45 C#CCCCCCSCF 62a_100015361967_100012094781 [0,1,0,0,0,0|2,0,1]=4 3732 B9R0.45 C#CCCCCNCC=C 2230a_100000706060_100000210623 [0,1,0,0,0,0|1,0,2]=4 3733 B9R0.45 C#CCCCCNCC=C 2230a_100020586998_100010269958 [0,1,0,0,0,0|1,0,2]=4 3734 B9R0.45 C#CCCCCNCC=C 34a_100000706060_100015514636 [0,1,0,0,0,0|1,0,2]=4 3735 B9R0.45 C#CCCCCNCC=O 2230a_100000706060_200015260668 [0,1,0,0,0,0|0,0,2]=3 3736 B9R0.45 C#CCCCCNCC=O 34a_100000706060_200009817547 [0,1,0,0,0,0|0,0,2]=3 3737 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [0,1,0,0,0,0|1,0,1]=3 3738 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [0,1,0,0,0,0|1,0,1]=3 3739 B9R0.45 C#CCCCCNCCF 2230a_100000706060_100011217306 [0,1,0,0,0,0|2,0,1]=4 3740 B9R0.45 C#CCCCCNCCF 34a_100000706060_100011217306 [0,1,0,0,0,0|2,0,1]=4 3741 B9R0.45 C#CCCCCNCCF 34a_100000724931_100010269958 [0,1,0,0,0,0|2,0,1]=4 3742 B9R0.45 C#CCCCCNCCO 2230a_100000706060_100000211926 [0,1,0,0,0,0|2,0,1]=4 3743 B9R0.45 C#CCCCCNCCO 2230a_100016997473_100010269958 [0,1,0,0,0,0|2,0,1]=4 3744 B9R0.45 C#CCCCCNCCO 34a_100000706060_100000211926 [0,1,0,0,0,0|2,0,1]=4 3745 B9R0.45 C#CCCCCNCCO 34a_100016990907_100010269958 [0,1,0,0,0,0|2,0,1]=4 3746 B9R0.45 C#CCCCCNCOC 2230a_100000706060_100000766300 [0,1,0,0,0,0|2,0,1]=4 3747 B9R0.45 C#CCCCCNCSC 2230a_100000706060_100011218213 [0,1,0,0,0,0|2,0,1]=4 3748 B9R0.45 C#CCCCCNCSC 34a_100000706060_100011218213 [0,1,0,0,0,0|2,0,1]=4 3749 B9R0.45 C#CCCCCOCC=C 34a_100000766709_100015514636 [0,1,0,0,0,0|1,0,2]=4 3750 B9R0.45 C#CCCCCOCC=C 34a_200000210373_100010269958 [0,1,0,0,0,0|1,0,2]=4 3751 B9R0.45 C#CCCCCOCC=C 7a_100000766709_100015514636 [0,1,0,0,0,0|1,0,2]=4 3752 B9R0.45 C#CCCCCOCC=O 34a_100000766709_200009817547 [0,1,0,0,0,0|0,0,2]=3 3753 B9R0.45 C#CCCCCOCC=O 7a_100000766709_200015260668 [0,1,0,0,0,0|0,0,2]=3 3754 B9R0.45 C#CCCCCOCCBr 34a_100000211926_100010269958 [0,1,0,0,0,0|2,0,1]=4 3755 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,1,0,0,0,0|1,0,1]=3 3756 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,1,0,0,0,0|1,0,1]=3 3757 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,1,0,0,0,0|1,0,1]=3 3758 B9R0.45 C#CCCCCOCCF 34a_100000766709_100011217306 [0,1,0,0,0,0|2,0,1]=4 3759 B9R0.45 C#CCCCCOCCF 7a_100000766709_100011217306 [0,1,0,0,0,0|2,0,1]=4 3760 B9R0.45 C#CCCCCOCCN 34a_100000210304_100010269958 [0,1,0,0,0,0|2,0,1]=4 3761 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [0,1,0,0,0,0|2,0,1]=4 3762 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [0,1,0,0,0,0|2,0,1]=4 3763 B9R0.45 C#CCCCCOCSC 34a_100000766709_100011218213 [0,1,0,0,0,0|2,0,1]=4 3764 B9R0.45 C#CCCCCSCC=C 62a_100000210623_100010269958 [0,1,0,0,0,0|1,0,2]=4 3765 B9R0.45 C#CCCCCSCC=C 62a_100010269958_100000210623 [0,1,0,0,0,0|1,0,2]=4 3766 B9R0.45 C#CCCCCSCC=O 62a_100010269958_200015260668 [0,1,0,0,0,0|0,0,2]=3 3767 B9R0.45 C#CCCCCSCC=O 62a_200015260668_100010269958 [0,1,0,0,0,0|0,0,2]=3 3768 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [0,1,0,0,0,0|1,0,1]=3 3769 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [0,1,0,0,0,0|1,0,1]=3 3770 B9R0.45 C#CCCCCSCCF 62a_100010269958_100011217306 [0,1,0,0,0,0|2,0,1]=4 3771 B9R0.45 C#CCCCCSCCF 62a_100011217306_100010269958 [0,1,0,0,0,0|2,0,1]=4 3772 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [0,1,0,0,0,0|2,0,1]=4 3773 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [0,1,0,0,0,0|2,0,1]=4 3774 B9R0.45 C#CCCCCSCOC 62a_100000766300_100010269958 [0,1,0,0,0,0|2,0,1]=4 3775 B9R0.45 C#CCCCCSCOC 62a_100010269958_100000766300 [0,1,0,0,0,0|2,0,1]=4 3776 B9R0.45 C#CCCCCSCSC 62a_100010269958_100011218213 [0,1,0,0,0,0|2,0,1]=4 3777 B9R0.45 C#CCCCCSCSC 62a_100011218213_100010269958 [0,1,0,0,0,0|2,0,1]=4 3778 B9R0.45 C#CCCCNCCC=C 2230a_100015191253_100000731252 [0,1,0,0,0,0|1,0,2]=4 3779 B9R0.45 C#CCCCNCCC=C 34a_100000718082_100000754431 [0,1,0,0,0,0|1,0,2]=4 3780 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [0,1,0,0,0,0|1,0,1]=3 3781 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [0,1,0,0,0,0|1,0,1]=3 3782 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [0,1,0,0,0,0|1,0,1]=3 3783 B9R0.45 C#CCCCNCCCF 2230a_100015189416_100000731252 [0,1,0,0,0,0|2,0,1]=4 3784 B9R0.45 C#CCCCNCCCF 34a_100000718082_100011934791 [0,1,0,0,0,0|2,0,1]=4 3785 B9R0.45 C#CCCCNCCCF 34a_100015189416_100000695029 [0,1,0,0,0,0|2,0,1]=4 3786 B9R0.45 C#CCCCNCCCO 34a_100000718082_100000230001 [0,1,0,0,0,0|2,0,1]=4 3787 B9R0.45 C#CCCCNCCOC 2230a_100000209980_100000731252 [0,1,0,0,0,0|2,0,1]=4 3788 B9R0.45 C#CCCCNCCOC 34a_100000718082_100011201679 [0,1,0,0,0,0|2,0,1]=4 3789 B9R0.45 C#CCCCNCCSC 2230a_100020590264_100000731252 [0,1,0,0,0,0|2,0,1]=4 3790 B9R0.45 C#CCCCNCCSC 34a_100000718082_100000212216 [0,1,0,0,0,0|2,0,1]=4 3791 B9R0.45 C#CCCCOCCC=C 34a_100000215630_100000754431 [0,1,0,0,0,0|1,0,2]=4 3792 B9R0.45 C#CCCCOCCC=C 34a_100011205117_100000695029 [0,1,0,0,0,0|1,0,2]=4 3793 B9R0.45 C#CCCCOCCC=C 7a_100000215630_100000754431 [0,1,0,0,0,0|1,0,2]=4 3794 B9R0.45 C#CCCCOCCCBr 34a_100011217188_100000695029 [0,1,0,0,0,0|2,0,1]=4 3795 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [0,1,0,0,0,0|1,0,1]=3 3796 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [0,1,0,0,0,0|1,0,1]=3 3797 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [0,1,0,0,0,0|1,0,1]=3 3798 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [0,1,0,0,0,0|1,0,1]=3 3799 B9R0.45 C#CCCCOCCCCl 34a_100000230001_100000695029 [0,1,0,0,0,0|2,0,1]=4 3800 B9R0.45 C#CCCCOCCCF 34a_100000215630_100011934791 [0,1,0,0,0,0|2,0,1]=4 3801 B9R0.45 C#CCCCOCCCF 34a_100000759539_100000695029 [0,1,0,0,0,0|2,0,1]=4 3802 B9R0.45 C#CCCCOCCCF 7a_100000215630_100011934791 [0,1,0,0,0,0|2,0,1]=4 3803 B9R0.45 C#CCCCOCCCN 34a_100000182051_100000695029 [0,1,0,0,0,0|2,0,1]=4 3804 B9R0.45 C#CCCCOCCCO 34a_100000215630_100000230001 [0,1,0,0,0,0|2,0,1]=4 3805 B9R0.45 C#CCCCOCCCO 7a_100000215630_100011215043 [0,1,0,0,0,0|2,0,1]=4 3806 B9R0.45 C#CCCCOCCOC 34a_100000210237_100000695029 [0,1,0,0,0,0|2,0,1]=4 3807 B9R0.45 C#CCCCOCCOC 34a_100000215630_100011201679 [0,1,0,0,0,0|2,0,1]=4 3808 B9R0.45 C#CCCCOCCOC 7a_100000215630_100000233755 [0,1,0,0,0,0|2,0,1]=4 3809 B9R0.45 C#CCCCOCCSC 34a_100000215630_100000212216 [0,1,0,0,0,0|2,0,1]=4 3810 B9R0.45 C#CCCCOCCSC 34a_100000230434_100000695029 [0,1,0,0,0,0|2,0,1]=4 3811 B9R0.45 C#CCCCOCCSC 7a_100000215630_100000212216 [0,1,0,0,0,0|2,0,1]=4 3812 B9R0.45 C#CCCCOCCSC 7a_100000230434_100011215417 [0,1,0,0,0,0|2,0,1]=4 3813 B9R0.45 C#CCCCSCCC=C 62a_100000754431_100011215417 [0,1,0,0,0,0|1,0,2]=4 3814 B9R0.45 C#CCCCSCCC=C 62a_100011215417_100000754431 [0,1,0,0,0,0|1,0,2]=4 3815 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [0,1,0,0,0,0|1,0,1]=3 3816 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [0,1,0,0,0,0|1,0,1]=3 3817 B9R0.45 C#CCCCSCCCF 62a_100011215417_100011934791 [0,1,0,0,0,0|2,0,1]=4 3818 B9R0.45 C#CCCCSCCCF 62a_100011934791_100011215417 [0,1,0,0,0,0|2,0,1]=4 3819 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [0,1,0,0,0,0|2,0,1]=4 3820 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [0,1,0,0,0,0|2,0,1]=4 3821 B9R0.45 C#CCCCSCCOC 62a_100000233755_100011215417 [0,1,0,0,0,0|2,0,1]=4 3822 B9R0.45 C#CCCCSCCOC 62a_100011215417_100000233755 [0,1,0,0,0,0|2,0,1]=4 3823 B9R0.45 C#CCCCSCCSC 62a_100000212216_100011215417 [0,1,0,0,0,0|2,0,1]=4 3824 B9R0.45 C#CCCCSCCSC 62a_100011215417_100000751147 [0,1,0,0,0,0|2,0,1]=4 3825 B9R0.45 C#CCCCSCOCC 62a_100000739092_100011215417 [0,1,0,0,0,0|2,0,1]=4 3826 B9R0.45 C#CCCCSCOCC 62a_100011215417_100000739092 [0,1,0,0,0,0|2,0,1]=4 3827 B9R0.45 C#CCCNCCCC=C 2230a_100000700776_100000688953 [0,1,0,0,0,0|1,0,2]=4 3828 B9R0.45 C#CCCNCCCC=C 34a_100000700776_100000688953 [0,1,0,0,0,0|1,0,2]=4 3829 B9R0.45 C#CCCNCCCC=C 34a_100000755551_100000757094 [0,1,0,0,0,0|1,0,2]=4 3830 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [0,1,0,0,0,0|1,0,1]=3 3831 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [0,1,0,0,0,0|1,0,1]=3 3832 B9R0.45 C#CCCNCCCCF 34a_100000755551_100000729493 [0,1,0,0,0,0|2,0,1]=4 3833 B9R0.45 C#CCCNCCCCO 2230a_100000750430_100000688953 [0,1,0,0,0,0|2,0,1]=4 3834 B9R0.45 C#CCCNCCCCO 34a_100000750430_100000688953 [0,1,0,0,0,0|2,0,1]=4 3835 B9R0.45 C#CCCNCCCCO 34a_100000755551_100011216708 [0,1,0,0,0,0|2,0,1]=4 3836 B9R0.45 C#CCCNCCCOC 34a_100000755551_100000740836 [0,1,0,0,0,0|2,0,1]=4 3837 B9R0.45 C#CCCNCCCOC 34a_100150723488_100000688953 [0,1,0,0,0,0|2,0,1]=4 3838 B9R0.45 C#CCCNCCCSC 2230a_100000749238_100000688953 [0,1,0,0,0,0|2,0,1]=4 3839 B9R0.45 C#CCCNCCOCC 2230a_102516460346_100000688953 [0,1,0,0,0,0|2,0,1]=4 3840 B9R0.45 C#CCCNCCOCC 34a_100000755551_100000210147 [0,1,0,0,0,0|2,0,1]=4 3841 B9R0.45 C#CCCNCCOCC 34a_102516460346_100000688953 [0,1,0,0,0,0|2,0,1]=4 3842 B9R0.45 C#CCCNCCSCC 2230a_100000106463_100000688953 [0,1,0,0,0,0|2,0,1]=4 3843 B9R0.45 C#CCCNCCSCC 34a_100000755551_100000757381 [0,1,0,0,0,0|2,0,1]=4 3844 B9R0.45 C#CCCOCCCC=C 34a_100000758997_100000688953 [0,1,0,0,0,0|1,0,2]=4 3845 B9R0.45 C#CCCOCCCC=C 34a_100011215631_100000757094 [0,1,0,0,0,0|1,0,2]=4 3846 B9R0.45 C#CCCOCCCC=C 7a_100000758997_100000688953 [0,1,0,0,0,0|1,0,2]=4 3847 B9R0.45 C#CCCOCCCCBr 34a_100011216708_100000688953 [0,1,0,0,0,0|2,0,1]=4 3848 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [0,1,0,0,0,0|1,0,1]=3 3849 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [0,1,0,0,0,0|1,0,1]=3 3850 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [0,1,0,0,0,0|1,0,1]=3 3851 B9R0.45 C#CCCOCCCCCl 34a_100000210776_100000688953 [0,1,0,0,0,0|2,0,1]=4 3852 B9R0.45 C#CCCOCCCCCl 7a_100000210776_100000688953 [0,1,0,0,0,0|2,0,1]=4 3853 B9R0.45 C#CCCOCCCCF 34a_100011215631_100000729493 [0,1,0,0,0,0|2,0,1]=4 3854 B9R0.45 C#CCCOCCCCF 34a_100011995726_100000688953 [0,1,0,0,0,0|2,0,1]=4 3855 B9R0.45 C#CCCOCCCCF 7a_100011995726_100000688953 [0,1,0,0,0,0|2,0,1]=4 3856 B9R0.45 C#CCCOCCCCI 34a_200012148704_100000688953 [0,1,0,0,0,0|2,0,1]=4 3857 B9R0.45 C#CCCOCCCCN 34a_100000750430_100000688953 [0,1,0,0,0,0|2,0,1]=4 3858 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [0,1,0,0,0,0|2,0,1]=4 3859 B9R0.45 C#CCCOCCCNC 34a_100000213112_100000688953 [0,1,0,0,0,0|2,0,1]=4 3860 B9R0.45 C#CCCOCCCOC 34a_100000740835_100000688953 [0,1,0,0,0,0|2,0,1]=4 3861 B9R0.45 C#CCCOCCCOC 34a_100011215631_100000740836 [0,1,0,0,0,0|2,0,1]=4 3862 B9R0.45 C#CCCOCCCSC 34a_100000690336_100000688953 [0,1,0,0,0,0|2,0,1]=4 3863 B9R0.45 C#CCCOCCCSC 7a_100000690336_100000688953 [0,1,0,0,0,0|2,0,1]=4 3864 B9R0.45 C#CCCOCCOCC 34a_100000210136_100000688953 [0,1,0,0,0,0|2,0,1]=4 3865 B9R0.45 C#CCCOCCOCC 34a_100011215631_100000210147 [0,1,0,0,0,0|2,0,1]=4 3866 B9R0.45 C#CCCOCCOCC 7a_100000210136_100000688953 [0,1,0,0,0,0|2,0,1]=4 3867 B9R0.45 C#CCCOCCSCC 34a_100000212035_100000688953 [0,1,0,0,0,0|2,0,1]=4 3868 B9R0.45 C#CCCOCCSCC 34a_100011215631_100000757381 [0,1,0,0,0,0|2,0,1]=4 3869 B9R0.45 C#CCCOCCSCC 7a_100000212035_100000688953 [0,1,0,0,0,0|2,0,1]=4 3870 B9R0.45 C#CCCSCCCC=C 62a_100000688953_100000757094 [0,1,0,0,0,0|1,0,2]=4 3871 B9R0.45 C#CCCSCCCC=C 62a_100011713584_100000688953 [0,1,0,0,0,0|1,0,2]=4 3872 B9R0.45 C#CCCSCCCC=O 62a_100000688953_200011292268 [0,1,0,0,0,0|0,0,2]=3 3873 B9R0.45 C#CCCSCCCC=O 62a_200011292268_100000688953 [0,1,0,0,0,0|0,0,2]=3 3874 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [0,1,0,0,0,0|1,0,1]=3 3875 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [0,1,0,0,0,0|1,0,1]=3 3876 B9R0.45 C#CCCSCCCCF 62a_100000688953_100000729493 [0,1,0,0,0,0|2,0,1]=4 3877 B9R0.45 C#CCCSCCCCF 62a_100000729493_100000688953 [0,1,0,0,0,0|2,0,1]=4 3878 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [0,1,0,0,0,0|2,0,1]=4 3879 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [0,1,0,0,0,0|2,0,1]=4 3880 B9R0.45 C#CCCSCCCOC 62a_100000688953_100000709357 [0,1,0,0,0,0|2,0,1]=4 3881 B9R0.45 C#CCCSCCCOC 62a_100000709357_100000688953 [0,1,0,0,0,0|2,0,1]=4 3882 B9R0.45 C#CCCSCCOCC 62a_100000210147_100000688953 [0,1,0,0,0,0|2,0,1]=4 3883 B9R0.45 C#CCCSCCOCC 62a_100000688953_100011215890 [0,1,0,0,0,0|2,0,1]=4 3884 B9R0.45 C#CCCSCCSCC 62a_100000688953_100000757381 [0,1,0,0,0,0|2,0,1]=4 3885 B9R0.45 C#CCCSCCSCC 62a_100000757381_100000688953 [0,1,0,0,0,0|2,0,1]=4 3886 B9R0.45 C#CCNCCCCC=C 2230a_100000703577_100000038162 [0,1,0,0,0,0|1,0,2]=4 3887 B9R0.45 C#CCNCCCCC=C 34a_100000212058_100011215482 [0,1,0,0,0,0|1,0,2]=4 3888 B9R0.45 C#CCNCCCCC=C 34a_100000703577_100000184674 [0,1,0,0,0,0|1,0,2]=4 3889 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [0,1,0,0,0,0|1,0,1]=3 3890 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [0,1,0,0,0,0|1,0,1]=3 3891 B9R0.45 C#CCNCCCCCF 34a_100000212058_100000729378 [0,1,0,0,0,0|2,0,1]=4 3892 B9R0.45 C#CCNCCCCCO 2230a_100000762737_100000038162 [0,1,0,0,0,0|2,0,1]=4 3893 B9R0.45 C#CCNCCCCCO 34a_100000212058_100000746330 [0,1,0,0,0,0|2,0,1]=4 3894 B9R0.45 C#CCNCCCCCO 34a_100000762737_100000184674 [0,1,0,0,0,0|2,0,1]=4 3895 B9R0.45 C#CCNCCCCOC 34a_100000212058_100000755781 [0,1,0,0,0,0|2,0,1]=4 3896 B9R0.45 C#CCNCCCOCC 2230a_100000210961_100000038162 [0,1,0,0,0,0|2,0,1]=4 3897 B9R0.45 C#CCNCCCOCC 34a_100000210961_100000184674 [0,1,0,0,0,0|2,0,1]=4 3898 B9R0.45 C#CCNCCCOCC 34a_100000212058_100012232248 [0,1,0,0,0,0|2,0,1]=4 3899 B9R0.45 C#CCNCCOCCC 2230a_100161115042_100000038162 [0,1,0,0,0,0|2,0,1]=4 3900 B9R0.45 C#CCNCCOCCC 34a_100000212058_100011215938 [0,1,0,0,0,0|2,0,1]=4 3901 B9R0.45 C#CCNCCOCCC 34a_100161115042_100000184674 [0,1,0,0,0,0|2,0,1]=4 3902 B9R0.45 C#CCNCCSCCC 2230a_100020603323_100000038162 [0,1,0,0,0,0|2,0,1]=4 3903 B9R0.45 C#CCNCOCCCC 34a_100000212058_100011995733 [0,1,0,0,0,0|2,0,1]=4 3904 B9R0.45 C#CCOCCCCC=C 34a_100000210247_100011215482 [0,1,0,0,0,0|1,0,2]=4 3905 B9R0.45 C#CCOCCCCC=C 34a_100000766645_100000184674 [0,1,0,0,0,0|1,0,2]=4 3906 B9R0.45 C#CCOCCCCC=C 7a_100000766645_100000038162 [0,1,0,0,0,0|1,0,2]=4 3907 B9R0.45 C#CCOCCCCCBr 34a_100000746331_100000184674 [0,1,0,0,0,0|2,0,1]=4 3908 B9R0.45 C#CCOCCCCCBr 7a_100000746331_100000038162 [0,1,0,0,0,0|2,0,1]=4 3909 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,1,0,0,0,0|1,0,1]=3 3910 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,1,0,0,0,0|1,0,1]=3 3911 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,1,0,0,0,0|1,0,1]=3 3912 B9R0.45 C#CCOCCCCCCl 34a_100000746330_100000184674 [0,1,0,0,0,0|2,0,1]=4 3913 B9R0.45 C#CCOCCCCCCl 7a_100000746330_100000038162 [0,1,0,0,0,0|2,0,1]=4 3914 B9R0.45 C#CCOCCCCCF 34a_100000210247_100000729378 [0,1,0,0,0,0|2,0,1]=4 3915 B9R0.45 C#CCOCCCCCI 34a_200012148887_100000184674 [0,1,0,0,0,0|2,0,1]=4 3916 B9R0.45 C#CCOCCCCCI 7a_200012148887_100000038162 [0,1,0,0,0,0|2,0,1]=4 3917 B9R0.45 C#CCOCCCCCN 34a_100000762737_100000184674 [0,1,0,0,0,0|2,0,1]=4 3918 B9R0.45 C#CCOCCCCCO 34a_100000210247_100000746330 [0,1,0,0,0,0|2,0,1]=4 3919 B9R0.45 C#CCOCCCCOC 34a_100000210247_100000755781 [0,1,0,0,0,0|2,0,1]=4 3920 B9R0.45 C#CCOCCCCOC 34a_100000740925_100000184674 [0,1,0,0,0,0|2,0,1]=4 3921 B9R0.45 C#CCOCCCCSC 34a_100011217163_100000184674 [0,1,0,0,0,0|2,0,1]=4 3922 B9R0.45 C#CCOCCCCSC 7a_100011217163_100000038162 [0,1,0,0,0,0|2,0,1]=4 3923 B9R0.45 C#CCOCCCOCC 34a_100000210247_100012232248 [0,1,0,0,0,0|2,0,1]=4 3924 B9R0.45 C#CCOCCCOCC 34a_100000757476_100000184674 [0,1,0,0,0,0|2,0,1]=4 3925 B9R0.45 C#CCOCCCOCC 7a_100000757476_100000038162 [0,1,0,0,0,0|2,0,1]=4 3926 B9R0.45 C#CCOCCCSCC 34a_100011216438_100000184674 [0,1,0,0,0,0|2,0,1]=4 3927 B9R0.45 C#CCOCCCSCC 7a_100011216438_100000038162 [0,1,0,0,0,0|2,0,1]=4 3928 B9R0.45 C#CCOCCNCC=O 2230a_100000700922_200015260668 [0,1,0,0,0,0|1,0,2]=4 3929 B9R0.45 C#CCOCCNCC=O 34a_100000700922_200009817547 [0,1,0,0,0,0|1,0,2]=4 3930 B9R0.45 C#CCOCCNCCC 2230a_100000700922_100000210303 [0,1,0,0,0,0|2,0,1]=4 3931 B9R0.45 C#CCOCCNCCC 34a_100000700922_100000210303 [0,1,0,0,0,0|2,0,1]=4 3932 B9R0.45 C#CCOCCOCC=O 34a_100000054580_200009817547 [0,1,0,0,0,0|1,0,2]=4 3933 B9R0.45 C#CCOCCOCC=O 7a_100000054580_200015260668 [0,1,0,0,0,0|1,0,2]=4 3934 B9R0.45 C#CCOCCOCCC 34a_100000054580_100000210303 [0,1,0,0,0,0|2,0,1]=4 3935 B9R0.45 C#CCOCCOCCC 34a_100000210247_100011215938 [0,1,0,0,0,0|2,0,1]=4 3936 B9R0.45 C#CCOCCOCCC 34a_100000210258_100010402529 [0,1,0,0,0,0|2,0,1]=4 3937 B9R0.45 C#CCOCCOCCC 34a_100000752267_100000184674 [0,1,0,0,0,0|2,0,1]=4 3938 B9R0.45 C#CCOCCOCCC 7a_100000054580_100000210303 [0,1,0,0,0,0|2,0,1]=4 3939 B9R0.45 C#CCOCCOCCC 7a_100000752267_100000038162 [0,1,0,0,0,0|2,0,1]=4 3940 B9R0.45 C#CCOCCSCC=O 62a_100010402529_200015260668 [0,1,0,0,0,0|1,0,2]=4 3941 B9R0.45 C#CCOCCSCC=O 62a_200015260668_100010402529 [0,1,0,0,0,0|1,0,2]=4 3942 B9R0.45 C#CCOCCSCCC 34a_200000230433_100000184674 [0,1,0,0,0,0|2,0,1]=4 3943 B9R0.45 C#CCOCCSCCC 62a_100000210303_100010402529 [0,1,0,0,0,0|2,0,1]=4 3944 B9R0.45 C#CCOCCSCCC 62a_100010402529_100000210303 [0,1,0,0,0,0|2,0,1]=4 3945 B9R0.45 C#CCOCCSCCC 7a_200000230433_100000038162 [0,1,0,0,0,0|2,0,1]=4 3946 B9R0.45 C#CCOCOCCCC 34a_100000210247_100011995733 [0,1,0,0,0,0|2,0,1]=4 3947 B9R0.45 C#CCSCCCCC=C 62a_100000038162_100011215482 [0,1,0,0,0,0|1,0,2]=4 3948 B9R0.45 C#CCSCCCCC=O 62a_100000038162_100000139335 [0,1,0,0,0,0|0,0,2]=3 3949 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [0,1,0,0,0,0|1,0,1]=3 3950 B9R0.45 C#CCSCCCCCF 62a_100000038162_100000729378 [0,1,0,0,0,0|2,0,1]=4 3951 B9R0.45 C#CCSCCCCCO 62a_100000038162_100000746330 [0,1,0,0,0,0|2,0,1]=4 3952 B9R0.45 C#CCSCCCCOC 62a_100000038162_100000730899 [0,1,0,0,0,0|2,0,1]=4 3953 B9R0.45 C#CCSCCCOCC 62a_100000038162_100012232248 [0,1,0,0,0,0|2,0,1]=4 3954 B9R0.45 C#CCSCCOCCC 62a_100000038162_100011215938 [0,1,0,0,0,0|2,0,1]=4 3955 B9R0.45 C#CCSCOCCCC 62a_100000038162_100011995733 [0,1,0,0,0,0|2,0,1]=4 3956 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,1,0,0,0,0|1,0,1]=3 3957 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [0,1,0,0,0,0|2,0,1]=4 3958 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,1,0,0,0,0|2,0,1]=4 3959 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [0,1,0,0,0,0|2,0,1]=4 3960 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [0,1,0,0,0,0|2,0,1]=4 3961 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [0,1,0,0,0,0|2,0,1]=4 3962 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [0,1,0,0,0,0|2,0,1]=4 3963 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [0,1,0,0,0,0|2,0,1]=4 3964 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [0,1,0,0,0,0|2,0,1]=4 3965 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,1,0,0,0,0|1,0,1]=3 3966 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,1,0,0,0,0|1,0,1]=3 3967 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,1,0,0,0,0|1,0,1]=3 3968 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [0,1,0,0,0,0|2,0,1]=4 3969 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [0,1,0,0,0,0|2,0,1]=4 3970 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [0,1,0,0,0,0|2,0,1]=4 3971 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [0,1,0,0,0,0|2,0,1]=4 3972 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [0,1,0,0,0,0|2,0,1]=4 3973 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [0,1,0,0,0,0|2,0,1]=4 3974 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [0,1,0,0,0,0|2,0,1]=4 3975 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,1,0,0,0,0|2,0,1]=4 3976 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [0,1,0,0,0,0|2,0,1]=4 3977 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [0,1,0,0,0,0|2,0,1]=4 3978 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [0,1,0,0,0,0|2,0,1]=4 3979 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [0,1,0,0,0,0|2,0,1]=4 3980 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [0,1,0,0,0,0|2,0,1]=4 3981 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [0,1,0,0,0,0|2,0,1]=4 3982 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [0,1,0,0,0,0|2,0,1]=4 3983 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [0,1,0,0,0,0|2,0,1]=4 3984 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [0,1,0,0,0,0|2,0,1]=4 3985 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [0,1,0,0,0,0|2,0,1]=4 3986 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [0,1,0,0,0,0|2,0,1]=4 3987 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [0,1,0,0,0,0|0,0,2]=3 3988 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [0,1,0,0,0,0|0,0,2]=3 3989 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,1,0,0,0,0|1,0,1]=3 3990 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,1,0,0,0,0|1,0,1]=3 3991 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [0,1,0,0,0,0|2,0,1]=4 3992 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [0,1,0,0,0,0|2,0,1]=4 3993 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,1,0,0,0,0|2,0,1]=4 3994 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,1,0,0,0,0|2,0,1]=4 3995 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [0,1,0,0,0,0|2,0,1]=4 3996 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [0,1,0,0,0,0|2,0,1]=4 3997 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [0,1,0,0,0,0|2,0,1]=4 3998 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [0,1,0,0,0,0|2,0,1]=4 3999 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [0,1,0,0,0,0|2,0,1]=4 4000 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [0,1,0,0,0,0|2,0,1]=4 4001 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [0,1,0,0,0,0|1,0,2]=4 4002 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [0,1,0,0,0,0|1,0,2]=4 4003 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [0,1,0,0,0,0|1,0,2]=4 4004 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [0,1,0,0,0,0|1,0,2]=4 4005 B9R0.45 C=CCCC=NNCCC 4a_100000740057_100011216789 [0,1,0,0,0,0|2,0,1]=4 4006 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,1,0,0,0,0|1,0,0]=2 4007 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,1,0,0,0,0|1,0,0]=2 4008 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,1,0,0,0,0|1,0,0]=2 4009 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,1,0,0,0,0|1,0,0]=2 4010 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,1,0,0,0,0|1,0,0]=2 4011 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,1,0,0,0,0|1,0,0]=2 4012 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,1,0,0,0,0|1,0,0]=2 4013 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,1,0,0,0,0|1,0,0]=2 4014 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,1,0,0,0,0|1,0,0]=2 4015 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,1,0,0,0,0|1,0,0]=2 4016 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,1,0,0,0,0|1,0,0]=2 4017 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,1,0,0,0,0|1,0,0]=2 4018 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,1,0,0,0,0|1,0,0]=2 4019 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,1,0,0,0,0|1,0,0]=2 4020 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,1,0,0,0,0|1,0,0]=2 4021 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,1,0,0,0,0|1,0,0]=2 4022 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [0,1,0,0,0,0|2,0,0]=3 4023 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [0,1,0,0,0,0|2,0,0]=3 4024 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,1,0,0,0,0|1,0,0]=2 4025 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,1,0,0,0,0|1,0,0]=2 4026 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [0,1,0,0,0,0|2,0,0]=3 4027 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [0,1,0,0,0,0|2,0,0]=3 4028 B9R0.45 C=CCCCCNCC#N 2230a_100000703577_100011215382 [0,1,0,0,0,0|2,0,1]=4 4029 B9R0.45 C=CCCCCNCC=C 2230a_100000703577_100000210623 [0,1,0,0,0,0|1,0,2]=4 4030 B9R0.45 C=CCCCCNCC=C 2230a_100020586998_100011215482 [0,1,0,0,0,0|1,0,2]=4 4031 B9R0.45 C=CCCCCNCC=C 34a_100000703577_100015514636 [0,1,0,0,0,0|1,0,2]=4 4032 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [0,1,0,0,0,0|0,0,2]=3 4033 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [0,1,0,0,0,0|0,0,2]=3 4034 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,1,0,0,0,0|1,0,0]=2 4035 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,1,0,0,0,0|1,0,0]=2 4036 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [0,1,0,0,0,0|2,0,0]=3 4037 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [0,1,0,0,0,0|2,0,0]=3 4038 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [0,1,0,0,0,0|2,0,0]=3 4039 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,1,0,0,0,0|2,0,0]=3 4040 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,1,0,0,0,0|2,0,0]=3 4041 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,1,0,0,0,0|2,0,0]=3 4042 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,1,0,0,0,0|2,0,0]=3 4043 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [0,1,0,0,0,0|2,0,0]=3 4044 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [0,1,0,0,0,0|2,0,0]=3 4045 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [0,1,0,0,0,0|2,0,0]=3 4046 B9R0.45 C=CCCCCOCC#N 7a_100000766645_100011215382 [0,1,0,0,0,0|2,0,1]=4 4047 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [0,1,0,0,0,0|1,0,2]=4 4048 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [0,1,0,0,0,0|1,0,2]=4 4049 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [0,1,0,0,0,0|1,0,2]=4 4050 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [0,1,0,0,0,0|0,0,2]=3 4051 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [0,1,0,0,0,0|0,0,2]=3 4052 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [0,1,0,0,0,0|2,0,0]=3 4053 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,1,0,0,0,0|1,0,0]=2 4054 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,1,0,0,0,0|1,0,0]=2 4055 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,1,0,0,0,0|1,0,0]=2 4056 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [0,1,0,0,0,0|2,0,0]=3 4057 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [0,1,0,0,0,0|2,0,0]=3 4058 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [0,1,0,0,0,0|2,0,0]=3 4059 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,1,0,0,0,0|2,0,0]=3 4060 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,1,0,0,0,0|2,0,0]=3 4061 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [0,1,0,0,0,0|2,0,0]=3 4062 B9R0.45 C=CCCCCSCC#N 62a_100011215382_100011215482 [0,1,0,0,0,0|2,0,1]=4 4063 B9R0.45 C=CCCCCSCC#N 62a_100011215482_100011215382 [0,1,0,0,0,0|2,0,1]=4 4064 B9R0.45 C=CCCCCSCC=C 62a_100000210623_100011215482 [0,1,0,0,0,0|1,0,2]=4 4065 B9R0.45 C=CCCCCSCC=C 62a_100011215482_100000210623 [0,1,0,0,0,0|1,0,2]=4 4066 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [0,1,0,0,0,0|0,0,2]=3 4067 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [0,1,0,0,0,0|0,0,2]=3 4068 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,1,0,0,0,0|1,0,0]=2 4069 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,1,0,0,0,0|1,0,0]=2 4070 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [0,1,0,0,0,0|2,0,0]=3 4071 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [0,1,0,0,0,0|2,0,0]=3 4072 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,1,0,0,0,0|2,0,0]=3 4073 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,1,0,0,0,0|2,0,0]=3 4074 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [0,1,0,0,0,0|2,0,0]=3 4075 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [0,1,0,0,0,0|2,0,0]=3 4076 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [0,1,0,0,0,0|2,0,0]=3 4077 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [0,1,0,0,0,0|2,0,0]=3 4078 B9R0.45 C=CCCCNC/C=C/C 34a_100000700776_100102629194 [0,1,0,0,0,0|1,0,2]=4 4079 B9R0.45 C=CCCCNCC#CC 2230a_100000685387_100011713584 [0,1,0,0,0,0|1,0,2]=4 4080 B9R0.45 C=CCCCNCC#CC 2230a_100000700776_100000748600 [0,1,0,0,0,0|1,0,2]=4 4081 B9R0.45 C=CCCCNCC#CC 34a_100000685387_100000757094 [0,1,0,0,0,0|1,0,2]=4 4082 B9R0.45 C=CCCCNCC#CC 34a_100000700776_100000748600 [0,1,0,0,0,0|1,0,2]=4 4083 B9R0.45 C=CCCCNCC=CC 2230a_100000700776_100000070051 [0,1,0,0,0,0|1,0,2]=4 4084 B9R0.45 C=CCCCNCC=CC 34a_100000700776_100000070051 [0,1,0,0,0,0|1,0,2]=4 4085 B9R0.45 C=CCCCNCCC#N 2230a_100000700776_100011215226 [0,1,0,0,0,0|2,0,1]=4 4086 B9R0.45 C=CCCCNCCC=C 2230a_100000700776_100000754431 [0,1,0,0,0,0|1,0,2]=4 4087 B9R0.45 C=CCCCNCCC=C 2230a_100015191253_100011713584 [0,1,0,0,0,0|1,0,2]=4 4088 B9R0.45 C=CCCCNCCC=C 34a_100000700776_100000754431 [0,1,0,0,0,0|1,0,2]=4 4089 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,1,0,0,0,0|1,0,0]=2 4090 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,1,0,0,0,0|1,0,0]=2 4091 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,1,0,0,0,0|1,0,0]=2 4092 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,1,0,0,0,0|1,0,0]=2 4093 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [0,1,0,0,0,0|2,0,0]=3 4094 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [0,1,0,0,0,0|2,0,0]=3 4095 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [0,1,0,0,0,0|2,0,0]=3 4096 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [0,1,0,0,0,0|2,0,0]=3 4097 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [0,1,0,0,0,0|2,0,0]=3 4098 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [0,1,0,0,0,0|2,0,0]=3 4099 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [0,1,0,0,0,0|2,0,0]=3 4100 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [0,1,0,0,0,0|2,0,0]=3 4101 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [0,1,0,0,0,0|2,0,0]=3 4102 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [0,1,0,0,0,0|2,0,0]=3 4103 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [0,1,0,0,0,0|2,0,0]=3 4104 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [0,1,0,0,0,0|2,0,0]=3 4105 B9R0.45 C=CCCCOC/C=C/C 34a_100000758997_100102629194 [0,1,0,0,0,0|1,0,2]=4 4106 B9R0.45 C=CCCCOC/C=C/C 34a_100016270725_100000757094 [0,1,0,0,0,0|1,0,2]=4 4107 B9R0.45 C=CCCCOC/C=C/C 7a_100000758997_100102629194 [0,1,0,0,0,0|1,0,2]=4 4108 B9R0.45 C=CCCCOCC#CC 34a_100000758997_100000748600 [0,1,0,0,0,0|1,0,2]=4 4109 B9R0.45 C=CCCCOCC#CC 34a_100000761923_100000757094 [0,1,0,0,0,0|1,0,2]=4 4110 B9R0.45 C=CCCCOCC#CC 7a_100000758997_100000748600 [0,1,0,0,0,0|1,0,2]=4 4111 B9R0.45 C=CCCCOCC=CC 34a_100000758997_100000070051 [0,1,0,0,0,0|1,0,2]=4 4112 B9R0.45 C=CCCCOCC=CC 7a_100000758997_100000070051 [0,1,0,0,0,0|1,0,2]=4 4113 B9R0.45 C=CCCCOCCC#N 7a_100000758997_100000184422 [0,1,0,0,0,0|2,0,1]=4 4114 B9R0.45 C=CCCCOCCC=C 34a_100000758997_100000754431 [0,1,0,0,0,0|1,0,2]=4 4115 B9R0.45 C=CCCCOCCC=C 34a_100011205117_100000757094 [0,1,0,0,0,0|1,0,2]=4 4116 B9R0.45 C=CCCCOCCC=C 7a_100000758997_100000754431 [0,1,0,0,0,0|1,0,2]=4 4117 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [0,1,0,0,0,0|2,0,0]=3 4118 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,1,0,0,0,0|1,0,0]=2 4119 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,1,0,0,0,0|1,0,0]=2 4120 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,1,0,0,0,0|1,0,0]=2 4121 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,1,0,0,0,0|1,0,0]=2 4122 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [0,1,0,0,0,0|2,0,0]=3 4123 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [0,1,0,0,0,0|2,0,0]=3 4124 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [0,1,0,0,0,0|2,0,0]=3 4125 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [0,1,0,0,0,0|2,0,0]=3 4126 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [0,1,0,0,0,0|2,0,0]=3 4127 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [0,1,0,0,0,0|2,0,0]=3 4128 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [0,1,0,0,0,0|2,0,0]=3 4129 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [0,1,0,0,0,0|2,0,0]=3 4130 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [0,1,0,0,0,0|2,0,0]=3 4131 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [0,1,0,0,0,0|2,0,0]=3 4132 B9R0.45 C=CCCCOCCON 34a_100000700252_100000757094 [0,1,0,0,0,0|3,0,0]=4 4133 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [0,1,0,0,0,0|2,0,0]=3 4134 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [0,1,0,0,0,0|2,0,0]=3 4135 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [0,1,0,0,0,0|2,0,0]=3 4136 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [0,1,0,0,0,0|2,0,0]=3 4137 B9R0.45 C=CCCCSC/C=C/C 62a_100011713584_100102629194 [0,1,0,0,0,0|1,0,2]=4 4138 B9R0.45 C=CCCCSC/C=C/C 62a_100102629194_100000757094 [0,1,0,0,0,0|1,0,2]=4 4139 B9R0.45 C=CCCCSCC#CC 62a_100000748600_100000757094 [0,1,0,0,0,0|1,0,2]=4 4140 B9R0.45 C=CCCCSCC#CC 62a_100011713584_100000748600 [0,1,0,0,0,0|1,0,2]=4 4141 B9R0.45 C=CCCCSCC=CC 62a_100000070051_100000757094 [0,1,0,0,0,0|1,0,2]=4 4142 B9R0.45 C=CCCCSCC=CC 62a_100011713584_100000070051 [0,1,0,0,0,0|1,0,2]=4 4143 B9R0.45 C=CCCCSCCC#N 62a_100011215226_100000757094 [0,1,0,0,0,0|2,0,1]=4 4144 B9R0.45 C=CCCCSCCC#N 62a_100011713584_100011215226 [0,1,0,0,0,0|2,0,1]=4 4145 B9R0.45 C=CCCCSCCC=C 62a_100000754431_100000757094 [0,1,0,0,0,0|1,0,2]=4 4146 B9R0.45 C=CCCCSCCC=C 62a_100011713584_100000754431 [0,1,0,0,0,0|1,0,2]=4 4147 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,1,0,0,0,0|1,0,0]=2 4148 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,1,0,0,0,0|1,0,0]=2 4149 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [0,1,0,0,0,0|2,0,0]=3 4150 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [0,1,0,0,0,0|2,0,0]=3 4151 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,1,0,0,0,0|2,0,0]=3 4152 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,1,0,0,0,0|2,0,0]=3 4153 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,1,0,0,0,0|2,0,0]=3 4154 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,1,0,0,0,0|2,0,0]=3 4155 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [0,1,0,0,0,0|2,0,0]=3 4156 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [0,1,0,0,0,0|2,0,0]=3 4157 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [0,1,0,0,0,0|2,0,0]=3 4158 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [0,1,0,0,0,0|2,0,0]=3 4159 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [0,1,0,0,0,0|1,0,2]=4 4160 B9R0.45 C=CCCNCC#CCC 2230a_100015191253_100009813939 [0,1,0,0,0,0|1,0,2]=4 4161 B9R0.45 C=CCCNCCCC#N 2230a_100015191253_100000687738 [0,1,0,0,0,0|2,0,1]=4 4162 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [0,1,0,0,0,0|0,0,2]=3 4163 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,1,0,0,0,0|1,0,0]=2 4164 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,1,0,0,0,0|1,0,0]=2 4165 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [0,1,0,0,0,0|2,0,0]=3 4166 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [0,1,0,0,0,0|2,0,0]=3 4167 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [0,1,0,0,0,0|2,0,0]=3 4168 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [0,1,0,0,0,0|2,0,0]=3 4169 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [0,1,0,0,0,0|2,0,0]=3 4170 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [0,1,0,0,0,0|2,0,0]=3 4171 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [0,1,0,0,0,0|2,0,0]=3 4172 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [0,1,0,0,0,0|2,0,0]=3 4173 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [0,1,0,0,0,0|2,0,0]=3 4174 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [0,1,0,0,0,0|2,0,0]=3 4175 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [0,1,0,0,0,0|2,0,0]=3 4176 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [0,1,0,0,0,0|2,0,0]=3 4177 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [0,1,0,0,0,0|1,0,2]=4 4178 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [0,1,0,0,0,0|1,0,2]=4 4179 B9R0.45 C=CCCOCC#CCC 34a_100000032950_100000754431 [0,1,0,0,0,0|1,0,2]=4 4180 B9R0.45 C=CCCOCC#CCC 34a_100011205117_100009813939 [0,1,0,0,0,0|1,0,2]=4 4181 B9R0.45 C=CCCOCC/C=C/C 34a_100016278192_100000754431 [0,1,0,0,0,0|1,0,2]=4 4182 B9R0.45 C=CCCOCCC#CC 34a_100000750427_100000754431 [0,1,0,0,0,0|1,0,2]=4 4183 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [0,1,0,0,0,0|2,0,0]=3 4184 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,1,0,0,0,0|1,0,0]=2 4185 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,1,0,0,0,0|1,0,0]=2 4186 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,1,0,0,0,0|1,0,0]=2 4187 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [0,1,0,0,0,0|2,0,0]=3 4188 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [0,1,0,0,0,0|2,0,0]=3 4189 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [0,1,0,0,0,0|2,0,0]=3 4190 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [0,1,0,0,0,0|2,0,0]=3 4191 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [0,1,0,0,0,0|2,0,0]=3 4192 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [0,1,0,0,0,0|2,0,0]=3 4193 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [0,1,0,0,0,0|2,0,0]=3 4194 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [0,1,0,0,0,0|2,0,0]=3 4195 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [0,1,0,0,0,0|2,0,0]=3 4196 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [0,1,0,0,0,0|2,0,0]=3 4197 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [0,1,0,0,0,0|2,0,0]=3 4198 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [0,1,0,0,0,0|2,0,0]=3 4199 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [0,1,0,0,0,0|2,0,0]=3 4200 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,1,0,0,0,0|2,0,0]=3 4201 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,1,0,0,0,0|2,0,0]=3 4202 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,1,0,0,0,0|2,0,0]=3 4203 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [0,1,0,0,0,0|2,0,0]=3 4204 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [0,1,0,0,0,0|2,0,0]=3 4205 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [0,1,0,0,0,0|2,0,0]=3 4206 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [0,1,0,0,0,0|1,0,2]=4 4207 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [0,1,0,0,0,0|1,0,2]=4 4208 B9R0.45 C=CCCSCC#CCC 62a_100000754431_100009813939 [0,1,0,0,0,0|1,0,2]=4 4209 B9R0.45 C=CCCSCC#CCC 62a_100009813939_100000754431 [0,1,0,0,0,0|1,0,2]=4 4210 B9R0.45 C=CCCSCCCC#N 62a_100000687738_100000754431 [0,1,0,0,0,0|2,0,1]=4 4211 B9R0.45 C=CCCSCCCC#N 62a_100000754431_100000687738 [0,1,0,0,0,0|2,0,1]=4 4212 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [0,1,0,0,0,0|0,0,2]=3 4213 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [0,1,0,0,0,0|0,0,2]=3 4214 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,1,0,0,0,0|1,0,0]=2 4215 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,1,0,0,0,0|1,0,0]=2 4216 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [0,1,0,0,0,0|2,0,0]=3 4217 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [0,1,0,0,0,0|2,0,0]=3 4218 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,1,0,0,0,0|2,0,0]=3 4219 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,1,0,0,0,0|2,0,0]=3 4220 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,1,0,0,0,0|2,0,0]=3 4221 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,1,0,0,0,0|2,0,0]=3 4222 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,1,0,0,0,0|2,0,0]=3 4223 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,1,0,0,0,0|2,0,0]=3 4224 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [0,1,0,0,0,0|2,0,0]=3 4225 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [0,1,0,0,0,0|2,0,0]=3 4226 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [0,1,0,0,0,0|1,0,2]=4 4227 B9R0.45 C=CCNCCCCC#N 2230a_100020586998_100000211819 [0,1,0,0,0,0|2,0,1]=4 4228 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [0,1,0,0,0,0|0,0,2]=3 4229 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,1,0,0,0,0|1,0,0]=2 4230 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,1,0,0,0,0|1,0,0]=2 4231 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [0,1,0,0,0,0|2,0,0]=3 4232 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [0,1,0,0,0,0|2,0,0]=3 4233 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [0,1,0,0,0,0|2,0,0]=3 4234 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [0,1,0,0,0,0|2,0,0]=3 4235 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [0,1,0,0,0,0|2,0,0]=3 4236 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [0,1,0,0,0,0|2,0,0]=3 4237 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [0,1,0,0,0,0|2,0,0]=3 4238 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [0,1,0,0,0,0|2,0,0]=3 4239 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [0,1,0,0,0,0|2,0,0]=3 4240 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [0,1,0,0,0,0|2,0,0]=3 4241 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [0,1,0,0,0,0|2,0,0]=3 4242 B9R0.45 C=CCNCCOCCO 2230a_100000211614_100000210623 [0,1,0,0,0,0|3,0,0]=4 4243 B9R0.45 C=CCNCCOCCO 2230a_100020586998_100011215305 [0,1,0,0,0,0|3,0,0]=4 4244 B9R0.45 C=CCNCCOCCO 34a_100000211614_100015514636 [0,1,0,0,0,0|3,0,0]=4 4245 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [0,1,0,0,0,0|2,0,0]=3 4246 B9R0.45 C=CCNCCSCCO 2230a_100011219999_100000210623 [0,1,0,0,0,0|3,0,0]=4 4247 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [0,1,0,0,0,0|2,0,0]=3 4248 B9R0.45 C=CCNCOCCOC 2230a_100020586998_100000231047 [0,1,0,0,0,0|3,0,0]=4 4249 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [0,1,0,0,0,0|1,0,2]=4 4250 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [0,1,0,0,0,0|1,0,2]=4 4251 B9R0.45 C=CCOCC#CCCC 34a_100000034806_100015514636 [0,1,0,0,0,0|1,0,2]=4 4252 B9R0.45 C=CCOCC#CCCC 7a_100000034806_100015514636 [0,1,0,0,0,0|1,0,2]=4 4253 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [0,1,0,0,0,0|1,0,2]=4 4254 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [0,1,0,0,0,0|1,0,2]=4 4255 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [0,1,0,0,0,0|1,0,2]=4 4256 B9R0.45 C=CCOCCC#CCC 34a_100000036655_100015514636 [0,1,0,0,0,0|1,0,2]=4 4257 B9R0.45 C=CCOCCC#CCC 7a_100000036655_100015514636 [0,1,0,0,0,0|1,0,2]=4 4258 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [0,1,0,0,0,0|1,0,2]=4 4259 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,1,0,0,0,0|2,0,0]=3 4260 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,1,0,0,0,0|2,0,0]=3 4261 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,1,0,0,0,0|1,0,0]=2 4262 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,1,0,0,0,0|1,0,0]=2 4263 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,1,0,0,0,0|1,0,0]=2 4264 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,1,0,0,0,0|2,0,0]=3 4265 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,1,0,0,0,0|2,0,0]=3 4266 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,1,0,0,0,0|2,0,0]=3 4267 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,1,0,0,0,0|2,0,0]=3 4268 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,1,0,0,0,0|2,0,0]=3 4269 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,1,0,0,0,0|2,0,0]=3 4270 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,1,0,0,0,0|2,0,0]=3 4271 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,1,0,0,0,0|2,0,0]=3 4272 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,1,0,0,0,0|2,0,0]=3 4273 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,1,0,0,0,0|2,0,0]=3 4274 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,1,0,0,0,0|2,0,0]=3 4275 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,1,0,0,0,0|2,0,0]=3 4276 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,1,0,0,0,0|2,0,0]=3 4277 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,1,0,0,0,0|2,0,0]=3 4278 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,1,0,0,0,0|2,0,0]=3 4279 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,1,0,0,0,0|2,0,0]=3 4280 B9R0.45 C=CCOCCOCC=O 34a_100000037705_200009817547 [0,1,0,0,0,0|1,0,2]=4 4281 B9R0.45 C=CCOCCOCC=O 7a_100000037705_200015260668 [0,1,0,0,0,0|1,0,2]=4 4282 B9R0.45 C=CCOCCOCCBr 34a_100000692535_100015514636 [0,1,0,0,0,0|3,0,0]=4 4283 B9R0.45 C=CCOCCOCCBr 7a_100000692535_100015514636 [0,1,0,0,0,0|3,0,0]=4 4284 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,1,0,0,0,0|2,0,0]=3 4285 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,1,0,0,0,0|2,0,0]=3 4286 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,1,0,0,0,0|2,0,0]=3 4287 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,1,0,0,0,0|2,0,0]=3 4288 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,1,0,0,0,0|2,0,0]=3 4289 B9R0.45 C=CCOCCOCCCl 34a_100011215305_100015514636 [0,1,0,0,0,0|3,0,0]=4 4290 B9R0.45 C=CCOCCOCCCl 7a_100011215305_100015514636 [0,1,0,0,0,0|3,0,0]=4 4291 B9R0.45 C=CCOCCOCCF 34a_100000037705_100011217306 [0,1,0,0,0,0|3,0,0]=4 4292 B9R0.45 C=CCOCCOCCF 34a_200015357709_100015514636 [0,1,0,0,0,0|3,0,0]=4 4293 B9R0.45 C=CCOCCOCCF 7a_100000037705_100011217306 [0,1,0,0,0,0|3,0,0]=4 4294 B9R0.45 C=CCOCCOCCF 7a_200015357709_100015514636 [0,1,0,0,0,0|3,0,0]=4 4295 B9R0.45 C=CCOCCOCCI 34a_100012149058_100015514636 [0,1,0,0,0,0|3,0,0]=4 4296 B9R0.45 C=CCOCCOCCI 7a_100012149058_100015514636 [0,1,0,0,0,0|3,0,0]=4 4297 B9R0.45 C=CCOCCOCCN 34a_100000211614_100015514636 [0,1,0,0,0,0|3,0,0]=4 4298 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [0,1,0,0,0,0|3,0,0]=4 4299 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [0,1,0,0,0,0|3,0,0]=4 4300 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [0,1,0,0,0,0|3,0,0]=4 4301 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [0,1,0,0,0,0|3,0,0]=4 4302 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,1,0,0,0,0|2,0,0]=3 4303 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,1,0,0,0,0|2,0,0]=3 4304 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,1,0,0,0,0|2,0,0]=3 4305 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [0,1,0,0,0,0|1,0,2]=4 4306 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [0,1,0,0,0,0|1,0,2]=4 4307 B9R0.45 C=CCSCCCCC#N 62a_100000210623_100000211819 [0,1,0,0,0,0|2,0,1]=4 4308 B9R0.45 C=CCSCCCCC#N 62a_100011219923_100000210623 [0,1,0,0,0,0|2,0,1]=4 4309 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [0,1,0,0,0,0|0,0,2]=3 4310 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [0,1,0,0,0,0|0,0,2]=3 4311 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,1,0,0,0,0|1,0,0]=2 4312 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,1,0,0,0,0|1,0,0]=2 4313 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [0,1,0,0,0,0|2,0,0]=3 4314 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [0,1,0,0,0,0|2,0,0]=3 4315 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [0,1,0,0,0,0|2,0,0]=3 4316 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [0,1,0,0,0,0|2,0,0]=3 4317 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [0,1,0,0,0,0|2,0,0]=3 4318 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [0,1,0,0,0,0|2,0,0]=3 4319 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [0,1,0,0,0,0|2,0,0]=3 4320 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [0,1,0,0,0,0|2,0,0]=3 4321 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [0,1,0,0,0,0|2,0,0]=3 4322 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [0,1,0,0,0,0|2,0,0]=3 4323 B9R0.45 C=CCSCCOCCO 62a_100000210623_100011215305 [0,1,0,0,0,0|3,0,0]=4 4324 B9R0.45 C=CCSCCOCCO 62a_100011215305_100000210623 [0,1,0,0,0,0|3,0,0]=4 4325 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [0,1,0,0,0,0|2,0,0]=3 4326 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [0,1,0,0,0,0|2,0,0]=3 4327 B9R0.45 C=CCSCOCCOC 62a_100000210623_100000231047 [0,1,0,0,0,0|3,0,0]=4 4328 B9R0.45 C=CCSCOCCOC 62a_100000231047_100000210623 [0,1,0,0,0,0|3,0,0]=4 4329 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,1,0,0,0,0|2,0,0]=3 4330 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,1,0,0,0,0|2,0,0]=3 4331 B9R0.45 C=COCCCCOCF 34a_100000031558_100015361967 [0,1,0,0,0,0|3,0,0]=4 4332 B9R0.45 C=COCCCCOCF 7a_100000031558_100015361967 [0,1,0,0,0,0|3,0,0]=4 4333 B9R0.45 C=COCCCNCC=O 2230a_100000210767_200015260668 [0,1,0,0,0,0|1,0,2]=4 4334 B9R0.45 C=COCCCNCC=O 34a_100000210767_200009817547 [0,1,0,0,0,0|1,0,2]=4 4335 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,1,0,0,0,0|2,0,0]=3 4336 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,1,0,0,0,0|2,0,0]=3 4337 B9R0.45 C=COCCCNCCF 2230a_100000210767_100011217306 [0,1,0,0,0,0|3,0,0]=4 4338 B9R0.45 C=COCCCNCCF 34a_100000210767_100011217306 [0,1,0,0,0,0|3,0,0]=4 4339 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [0,1,0,0,0,0|3,0,0]=4 4340 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [0,1,0,0,0,0|3,0,0]=4 4341 B9R0.45 C=COCCCNCOC 2230a_100000210767_100000766300 [0,1,0,0,0,0|3,0,0]=4 4342 B9R0.45 C=COCCCNCSC 2230a_100000210767_100011218213 [0,1,0,0,0,0|3,0,0]=4 4343 B9R0.45 C=COCCCNCSC 34a_100000210767_100011218213 [0,1,0,0,0,0|3,0,0]=4 4344 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,1,0,0,0,0|2,0,0]=3 4345 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,1,0,0,0,0|2,0,0]=3 4346 B9R0.45 C=COCCNCCCF 2230a_100015189416_100000039644 [0,1,0,0,0,0|3,0,0]=4 4347 B9R0.45 C=COCCNCCCF 34a_100015189416_100000039644 [0,1,0,0,0,0|3,0,0]=4 4348 B9R0.45 C=COCCNCCOC 2230a_100000209980_100000039644 [0,1,0,0,0,0|3,0,0]=4 4349 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [0,1,0,0,0,0|3,0,0]=4 4350 B9R0.45 C=COCCOCCCBr 34a_100011217188_100000039644 [0,1,0,0,0,0|3,0,0]=4 4351 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,1,0,0,0,0|2,0,0]=3 4352 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,1,0,0,0,0|2,0,0]=3 4353 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,1,0,0,0,0|2,0,0]=3 4354 B9R0.45 C=COCCOCCCCl 34a_100000230001_100000039644 [0,1,0,0,0,0|3,0,0]=4 4355 B9R0.45 C=COCCOCCCF 34a_100000033082_100011934791 [0,1,0,0,0,0|3,0,0]=4 4356 B9R0.45 C=COCCOCCCF 34a_100000759539_100000039644 [0,1,0,0,0,0|3,0,0]=4 4357 B9R0.45 C=COCCOCCCN 34a_100000182051_100000039644 [0,1,0,0,0,0|3,0,0]=4 4358 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,1,0,0,0,0|3,0,0]=4 4359 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [0,1,0,0,0,0|3,0,0]=4 4360 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [0,1,0,0,0,0|3,0,0]=4 4361 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [0,1,0,0,0,0|3,0,0]=4 4362 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [0,1,0,0,0,0|3,0,0]=4 4363 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [0,1,0,0,0,0|3,0,0]=4 4364 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [0,1,0,0,0,0|3,0,0]=4 4365 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [0,1,0,0,0,0|3,0,0]=4 4366 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [0,1,0,0,0,0|3,0,0]=4 4367 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [0,1,0,0,0,0|3,0,0]=4 4368 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,1,0,0,0,0|2,0,0]=3 4369 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,1,0,0,0,0|2,0,0]=3 4370 B9R0.45 C=COCCSCCCF 62a_100000039644_100011934791 [0,1,0,0,0,0|3,0,0]=4 4371 B9R0.45 C=COCCSCCCF 62a_100011934791_100000039644 [0,1,0,0,0,0|3,0,0]=4 4372 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [0,1,0,0,0,0|3,0,0]=4 4373 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [0,1,0,0,0,0|3,0,0]=4 4374 B9R0.45 C=COCCSCCOC 62a_100000039644_100000233755 [0,1,0,0,0,0|3,0,0]=4 4375 B9R0.45 C=COCCSCCOC 62a_100000233755_100000039644 [0,1,0,0,0,0|3,0,0]=4 4376 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [0,1,0,0,0,0|3,0,0]=4 4377 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [0,1,0,0,0,0|3,0,0]=4 4378 B9R0.45 C=COCCSCOCC 62a_100000039644_100000739092 [0,1,0,0,0,0|3,0,0]=4 4379 B9R0.45 C=COCCSCOCC 62a_100000739092_100000039644 [0,1,0,0,0,0|3,0,0]=4 4380 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [0,1,0,0,0,0|1,0,2]=4 4381 B9R0.45 CC#CCNCCCC=O 2230a_100000685387_200011292268 [0,1,0,0,0,0|0,0,2]=3 4382 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [0,1,0,0,0,0|1,0,2]=4 4383 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [0,1,0,0,0,0|1,0,2]=4 4384 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [0,1,0,0,0,0|1,0,2]=4 4385 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [0,1,0,0,0,0|1,0,2]=4 4386 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [0,1,0,0,0,0|1,0,2]=4 4387 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [0,1,0,0,0,0|1,0,2]=4 4388 B9R0.45 CC#CCSCCCC=O 62a_100000748600_200011292268 [0,1,0,0,0,0|0,0,2]=3 4389 B9R0.45 CC#CCSCCCC=O 62a_200011292268_100000748600 [0,1,0,0,0,0|0,0,2]=3 4390 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [0,1,0,0,0,0|1,0,2]=4 4391 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [0,1,0,0,0,0|1,0,2]=4 4392 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,1,0,0,0,0|2,0,1]=4 4393 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,1,0,0,0,0|2,0,1]=4 4394 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,1,0,0,0,0|2,0,1]=4 4395 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,1,0,0,0,0|2,0,1]=4 4396 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,1,0,0,0,0|2,0,1]=4 4397 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,1,0,0,0,0|2,0,1]=4 4398 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [0,1,0,0,0,0|0,0,2]=3 4399 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [0,1,0,0,0,0|0,0,2]=3 4400 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,1,0,0,0,0|2,0,1]=4 4401 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,1,0,0,0,0|2,0,1]=4 4402 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,1,0,0,0,0|2,0,1]=4 4403 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,1,0,0,0,0|0,0,2]=3 4404 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,1,0,0,0,0|0,0,2]=3 4405 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,1,0,0,0,0|2,0,1]=4 4406 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,1,0,0,0,0|2,0,1]=4 4407 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,1,0,0,0,0|2,0,1]=4 4408 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,1,0,0,0,0|2,0,1]=4 4409 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,1,0,0,0,0|2,0,1]=4 4410 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,1,0,0,0,0|2,0,1]=4 4411 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,1,0,0,0,0|2,0,1]=4 4412 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,1,0,0,0,0|2,0,1]=4 4413 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,1,0,0,0,0|2,0,1]=4 4414 B9R0.45 CC=C=CCCOCC=O 34a_100011020354_200009817547 [0,1,0,0,0,0|0,0,3]=4 4415 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [0,1,0,0,0,0|1,0,2]=4 4416 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [0,1,0,0,0,0|0,0,2]=3 4417 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,1,0,0,0,0|1,0,1]=3 4418 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [0,1,0,0,0,0|2,0,1]=4 4419 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,1,0,0,0,0|2,0,1]=4 4420 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [0,1,0,0,0,0|2,0,1]=4 4421 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,1,0,0,0,0|1,0,1]=3 4422 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [0,1,0,0,0,0|2,0,1]=4 4423 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [0,1,0,0,0,0|2,0,1]=4 4424 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [0,1,0,0,0,0|2,0,1]=4 4425 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [0,1,0,0,0,0|2,0,1]=4 4426 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [0,1,0,0,0,0|2,0,1]=4 4427 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [0,1,0,0,0,0|2,0,1]=4 4428 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [0,1,0,0,0,0|2,0,1]=4 4429 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [0,1,0,0,0,0|2,0,1]=4 4430 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,1,0,0,0,0|1,0,1]=3 4431 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,1,0,0,0,0|1,0,1]=3 4432 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [0,1,0,0,0,0|2,0,1]=4 4433 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [0,1,0,0,0,0|2,0,1]=4 4434 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [0,1,0,0,0,0|2,0,1]=4 4435 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [0,1,0,0,0,0|2,0,1]=4 4436 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [0,1,0,0,0,0|2,0,1]=4 4437 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [0,1,0,0,0,0|2,0,1]=4 4438 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [0,1,0,0,0,0|2,0,1]=4 4439 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [0,1,0,0,0,0|2,0,1]=4 4440 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [0,1,0,0,0,0|2,0,1]=4 4441 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [0,1,0,0,0,0|2,0,1]=4 4442 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [0,1,0,0,0,0|2,0,1]=4 4443 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [0,1,0,0,0,0|2,0,1]=4 4444 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [0,1,0,0,0,0|2,0,1]=4 4445 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [0,1,0,0,0,0|2,0,1]=4 4446 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [0,1,0,0,0,0|0,0,2]=3 4447 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [0,1,0,0,0,0|0,0,2]=3 4448 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,1,0,0,0,0|1,0,1]=3 4449 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,1,0,0,0,0|1,0,1]=3 4450 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [0,1,0,0,0,0|2,0,1]=4 4451 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [0,1,0,0,0,0|2,0,1]=4 4452 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,1,0,0,0,0|2,0,1]=4 4453 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,1,0,0,0,0|2,0,1]=4 4454 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [0,1,0,0,0,0|2,0,1]=4 4455 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [0,1,0,0,0,0|2,0,1]=4 4456 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [0,1,0,0,0,0|2,0,1]=4 4457 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [0,1,0,0,0,0|2,0,1]=4 4458 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [0,1,0,0,0,0|2,0,1]=4 4459 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [0,1,0,0,0,0|2,0,1]=4 4460 B9R0.45 CCC#CCCOCC=O 34a_100000036655_200009817547 [0,1,0,0,0,0|0,0,2]=3 4461 B9R0.45 CCC#CCCOCC=O 7a_100000036655_200015260668 [0,1,0,0,0,0|0,0,2]=3 4462 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [0,1,0,0,0,0|0,0,2]=3 4463 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [0,1,0,0,0,0|0,0,2]=3 4464 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,1,0,0,0,0|3,0,0]=4 4465 B9R0.45 CCCC#CCOCC=O 34a_100000034806_200009817547 [0,1,0,0,0,0|0,0,2]=3 4466 B9R0.45 CCCC#CCOCC=O 7a_100000034806_200015260668 [0,1,0,0,0,0|0,0,2]=3 4467 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,1,0,0,0,0|2,0,1]=4 4468 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,1,0,0,0,0|2,0,1]=4 4469 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,1,0,0,0,0|2,0,1]=4 4470 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,1,0,0,0,0|2,0,1]=4 4471 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [0,1,0,0,0,0|2,0,1]=4 4472 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [0,1,0,0,0,0|2,0,1]=4 4473 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [0,1,0,0,0,0|2,0,1]=4 4474 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [0,1,0,0,0,0|2,0,1]=4 4475 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,1,0,0,0,0|2,0,1]=4 4476 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,1,0,0,0,0|2,0,1]=4 4477 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,1,0,0,0,0|2,0,1]=4 4478 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,1,0,0,0,0|2,0,1]=4 4479 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [0,1,0,0,0,0|2,0,1]=4 4480 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [0,1,0,0,0,0|2,0,1]=4 4481 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [0,1,0,0,0,0|2,0,1]=4 4482 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [0,1,0,0,0,0|2,0,1]=4 4483 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [0,1,0,0,0,0|2,0,1]=4 4484 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [0,1,0,0,0,0|2,0,1]=4 4485 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [0,1,0,0,0,0|2,0,1]=4 4486 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [0,1,0,0,0,0|2,0,1]=4 4487 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [0,1,0,0,0,0|2,0,1]=4 4488 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [0,1,0,0,0,0|2,0,1]=4 4489 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [0,1,0,0,0,0|2,0,1]=4 4490 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [0,1,0,0,0,0|2,0,1]=4 4491 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,1,0,0,0,0|1,0,1]=3 4492 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,1,0,0,0,0|1,0,1]=3 4493 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,1,0,0,0,0|1,0,1]=3 4494 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,1,0,0,0,0|1,0,1]=3 4495 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,1,0,0,0,0|1,0,1]=3 4496 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,1,0,0,0,0|1,0,1]=3 4497 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,1,0,0,0,0|1,0,1]=3 4498 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,1,0,0,0,0|0,0,2]=3 4499 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,1,0,0,0,0|0,0,2]=3 4500 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,1,0,0,0,0|0,0,2]=3 4501 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,1,0,0,0,0|0,0,2]=3 4502 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,1,0,0,0,0|0,0,2]=3 4503 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,1,0,0,0,0|0,1,1]=3 4504 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,1,0,0,0,0|0,1,1]=3 4505 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,1,0,0,0,0|0,1,1]=3 4506 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,1,0,0,0,0|0,1,1]=3 4507 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,1,0,0,0,0|1,0,1]=3 4508 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,1,0,0,0,0|1,0,1]=3 4509 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,1,0,0,0,0|1,0,1]=3 4510 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,1,0,0,0,0|1,0,1]=3 4511 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,1,0,0,0,0|1,0,1]=3 4512 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,1,0,0,0,0|1,0,1]=3 4513 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,1,0,0,0,0|1,0,1]=3 4514 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,1,0,0,0,0|1,0,1]=3 4515 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,1,0,0,0,0|1,0,1]=3 4516 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,1,0,0,0,0|1,0,1]=3 4517 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,1,0,0,0,0|1,0,1]=3 4518 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [0,1,0,0,0,0|1,0,1]=3 4519 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,1,0,0,0,0|0,0,0]=1 4520 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,1,0,0,0,0|1,0,1]=3 4521 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,1,0,0,0,0|1,0,1]=3 4522 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,1,0,0,0,0|1,0,1]=3 4523 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,1,0,0,0,0|0,0,2]=3 4524 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,1,0,0,0,0|0,0,2]=3 4525 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,1,0,0,0,0|0,0,2]=3 4526 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,1,0,0,0,0|2,0,0]=3 4527 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,1,0,0,0,0|2,0,0]=3 4528 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,1,0,0,0,0|1,0,1]=3 4529 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,1,0,0,0,0|0,0,0]=1 4530 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,1,0,0,0,0|0,0,0]=1 4531 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,1,0,0,0,0|1,0,1]=3 4532 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,1,0,0,0,0|1,0,1]=3 4533 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,1,0,0,0,0|1,0,1]=3 4534 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,1,0,0,0,0|1,0,1]=3 4535 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,1,0,0,0,0|1,0,1]=3 4536 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,1,0,0,0,0|1,0,1]=3 4537 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,1,0,0,0,0|1,0,1]=3 4538 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,1,0,0,0,0|0,0,2]=3 4539 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,1,0,0,0,0|0,0,2]=3 4540 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,1,0,0,0,0|2,0,0]=3 4541 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [0,1,0,0,0,0|1,0,1]=3 4542 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [0,1,0,0,0,0|1,0,1]=3 4543 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,1,0,0,0,0|0,0,0]=1 4544 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,1,0,0,0,0|0,0,0]=1 4545 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,1,0,0,0,0|1,0,1]=3 4546 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,1,0,0,0,0|1,0,1]=3 4547 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,1,0,0,0,0|1,0,1]=3 4548 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,1,0,0,0,0|1,0,1]=3 4549 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,1,0,0,0,0|0,0,2]=3 4550 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,1,0,0,0,0|0,0,2]=3 4551 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,1,0,0,0,0|2,0,0]=3 4552 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,1,0,0,0,0|2,0,0]=3 4553 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,1,0,0,0,0|2,0,0]=3 4554 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,1,0,0,0,0|2,0,0]=3 4555 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [0,1,0,0,0,0|1,0,1]=3 4556 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,1,0,0,0,0|1,0,1]=3 4557 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,1,0,0,0,0|1,0,1]=3 4558 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,1,0,0,0,0|1,0,1]=3 4559 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,1,0,0,0,0|1,0,1]=3 4560 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,1,0,0,0,0|1,0,1]=3 4561 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,1,0,0,0,0|1,0,1]=3 4562 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,1,0,0,0,0|0,0,2]=3 4563 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,1,0,0,0,0|2,0,0]=3 4564 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,1,0,0,0,0|2,0,0]=3 4565 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,1,0,0,0,0|2,0,0]=3 4566 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,1,0,0,0,0|2,0,0]=3 4567 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,1,0,0,0,0|2,0,0]=3 4568 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,1,0,0,0,0|2,0,0]=3 4569 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [0,1,0,0,0,0|1,0,1]=3 4570 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,1,0,0,0,0|1,0,1]=3 4571 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,1,0,0,0,0|1,0,1]=3 4572 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,1,0,0,0,0|1,0,1]=3 4573 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,1,0,0,0,0|1,0,1]=3 4574 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,1,0,0,0,0|1,0,1]=3 4575 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,1,0,0,0,0|1,0,1]=3 4576 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,1,0,0,0,0|1,0,1]=3 4577 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,1,0,0,0,0|1,0,1]=3 4578 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,1,0,0,0,0|1,0,1]=3 4579 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,1,0,0,0,0|1,0,1]=3 4580 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,1,0,0,0,0|0,0,2]=3 4581 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,1,0,0,0,0|0,0,2]=3 4582 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,1,0,0,0,0|2,0,0]=3 4583 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,1,0,0,0,0|2,0,0]=3 4584 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,1,0,0,0,0|2,0,0]=3 4585 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,1,0,0,0,0|2,0,0]=3 4586 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,1,0,0,0,0|2,0,0]=3 4587 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,1,0,0,0,0|2,0,0]=3 4588 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,1,0,0,0,0|2,0,0]=3 4589 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,1,0,0,0,0|2,0,0]=3 4590 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,1,0,0,0,0|2,0,0]=3 4591 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,1,0,0,0,0|2,0,0]=3 4592 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,1,0,0,0,0|2,0,0]=3 4593 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,1,0,0,0,0|2,0,0]=3 4594 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [0,1,0,0,0,0|1,0,1]=3 4595 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [0,1,0,0,0,0|1,0,1]=3 4596 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,1,0,0,0,0|1,0,1]=3 4597 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,1,0,0,0,0|1,0,1]=3 4598 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,1,0,0,0,0|1,0,1]=3 4599 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,1,0,0,0,0|1,0,1]=3 4600 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,1,0,0,0,0|0,0,2]=3 4601 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,1,0,0,0,0|0,0,2]=3 4602 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,1,0,0,0,0|2,0,0]=3 4603 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,1,0,0,0,0|2,0,0]=3 4604 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,1,0,0,0,0|2,0,0]=3 4605 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,1,0,0,0,0|2,0,0]=3 4606 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,1,0,0,0,0|2,0,1]=4 4607 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,1,0,0,0,0|2,0,1]=4 4608 B9R0.45 CCCCCSCSC#N 62a_100000210326_100000211825 [0,1,0,0,0,0|2,0,1]=4 4609 B9R0.45 CCCCCSCSC#N 62a_100000211825_100000210326 [0,1,0,0,0,0|2,0,1]=4 4610 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [0,1,0,0,0,0|1,0,1]=3 4611 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [0,1,0,0,0,0|1,0,1]=3 4612 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,1,0,0,0,0|0,0,0]=1 4613 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,1,0,0,0,0|0,0,0]=1 4614 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,1,0,0,0,0|1,0,1]=3 4615 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,1,0,0,0,0|1,0,1]=3 4616 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,1,0,0,0,0|0,0,2]=3 4617 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,1,0,0,0,0|0,0,2]=3 4618 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,1,0,0,0,0|0,0,2]=3 4619 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,1,0,0,0,0|0,0,2]=3 4620 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,1,0,0,0,0|2,0,0]=3 4621 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,1,0,0,0,0|2,0,0]=3 4622 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,1,0,0,0,0|2,0,0]=3 4623 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,1,0,0,0,0|2,0,0]=3 4624 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,1,0,0,0,0|2,0,1]=4 4625 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,1,0,0,0,0|2,0,1]=4 4626 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,1,0,0,0,0|2,0,1]=4 4627 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,1,0,0,0,0|2,0,1]=4 4628 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,1,0,0,0,0|2,0,1]=4 4629 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,1,0,0,0,0|2,0,1]=4 4630 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,1,0,0,0,0|2,0,1]=4 4631 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [0,1,0,0,0,0|1,0,1]=3 4632 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,1,0,0,0,0|0,0,0]=1 4633 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,1,0,0,0,0|1,0,1]=3 4634 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,1,0,0,0,0|1,0,1]=3 4635 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,1,0,0,0,0|1,0,1]=3 4636 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,1,0,0,0,0|1,0,1]=3 4637 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,1,0,0,0,0|1,0,1]=3 4638 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,1,0,0,0,0|1,0,1]=3 4639 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,1,0,0,0,0|1,0,1]=3 4640 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,1,0,0,0,0|1,0,1]=3 4641 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,1,0,0,0,0|1,0,1]=3 4642 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,1,0,0,0,0|0,0,2]=3 4643 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,1,0,0,0,0|0,0,2]=3 4644 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [0,1,0,0,0,0|2,0,0]=3 4645 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [0,1,0,0,0,0|2,0,0]=3 4646 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [0,1,0,0,0,0|2,0,0]=3 4647 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [0,1,0,0,0,0|2,0,0]=3 4648 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [0,1,0,0,0,0|2,0,0]=3 4649 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,1,0,0,0,0|2,0,0]=3 4650 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,1,0,0,0,0|2,0,0]=3 4651 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,1,0,0,0,0|2,0,0]=3 4652 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,1,0,0,0,0|2,0,0]=3 4653 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,1,0,0,0,0|2,0,0]=3 4654 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,1,0,0,0,0|2,0,0]=3 4655 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,1,0,0,0,0|2,0,0]=3 4656 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,1,0,0,0,0|2,0,0]=3 4657 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,1,0,0,0,0|2,0,0]=3 4658 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,1,0,0,0,0|2,0,1]=4 4659 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,1,0,0,0,0|2,0,1]=4 4660 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,1,0,0,0,0|2,0,1]=4 4661 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,1,0,0,0,0|2,0,1]=4 4662 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,1,0,0,0,0|2,0,1]=4 4663 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,1,0,0,0,0|2,0,1]=4 4664 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,1,0,0,0,0|2,0,1]=4 4665 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,1,0,0,0,0|2,0,1]=4 4666 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,1,0,0,0,0|2,0,1]=4 4667 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,1,0,0,0,0|2,0,1]=4 4668 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,1,0,0,0,0|2,0,1]=4 4669 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,1,0,0,0,0|2,0,1]=4 4670 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,1,0,0,0,0|2,0,1]=4 4671 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,1,0,0,0,0|2,0,1]=4 4672 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,1,0,0,0,0|2,0,1]=4 4673 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,1,0,0,0,0|2,0,1]=4 4674 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [0,1,0,0,0,0|2,0,1]=4 4675 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [0,1,0,0,0,0|2,0,1]=4 4676 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [0,1,0,0,0,0|2,0,1]=4 4677 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,1,0,0,0,0|1,0,2]=4 4678 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,1,0,0,0,0|1,0,2]=4 4679 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,1,0,0,0,0|2,0,1]=4 4680 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,1,0,0,0,0|2,0,1]=4 4681 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,1,0,0,0,0|2,0,1]=4 4682 B9R0.45 CCCCOCSCC#N 62a_100011215382_100011995733 [0,1,0,0,0,0|2,0,1]=4 4683 B9R0.45 CCCCOCSCC#N 62a_100011995733_100011215382 [0,1,0,0,0,0|2,0,1]=4 4684 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,1,0,0,0,0|1,0,0]=2 4685 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,1,0,0,0,0|1,0,0]=2 4686 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [0,1,0,0,0,0|2,0,1]=4 4687 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [0,1,0,0,0,0|2,0,1]=4 4688 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [0,1,0,0,0,0|2,0,1]=4 4689 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [0,1,0,0,0,0|2,0,1]=4 4690 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,1,0,0,0,0|1,0,2]=4 4691 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,1,0,0,0,0|1,0,2]=4 4692 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [0,1,0,0,0,0|3,0,0]=4 4693 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [0,1,0,0,0,0|3,0,0]=4 4694 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [0,1,0,0,0,0|3,0,0]=4 4695 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [0,1,0,0,0,0|3,0,0]=4 4696 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [0,1,0,0,0,0|1,0,1]=3 4697 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [0,1,0,0,0,0|1,0,1]=3 4698 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,1,0,0,0,0|0,0,0]=1 4699 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,1,0,0,0,0|0,0,0]=1 4700 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,1,0,0,0,0|1,0,1]=3 4701 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,1,0,0,0,0|1,0,1]=3 4702 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,1,0,0,0,0|0,0,2]=3 4703 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,1,0,0,0,0|0,0,2]=3 4704 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,1,0,0,0,0|2,0,0]=3 4705 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,1,0,0,0,0|2,0,0]=3 4706 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,1,0,0,0,0|2,0,1]=4 4707 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,1,0,0,0,0|2,0,1]=4 4708 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,1,0,0,0,0|2,0,1]=4 4709 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,1,0,0,0,0|2,0,1]=4 4710 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,1,0,0,0,0|2,0,1]=4 4711 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,1,0,0,0,0|2,0,1]=4 4712 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,1,0,0,0,0|2,0,1]=4 4713 B9R0.45 CCCCSCCSC#N 62a_100000034367_100000210210 [0,1,0,0,0,0|2,0,1]=4 4714 B9R0.45 CCCCSCCSC#N 62a_100000210211_100000034367 [0,1,0,0,0,0|2,0,1]=4 4715 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,1,0,0,0,0|2,0,1]=4 4716 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,1,0,0,0,0|2,0,1]=4 4717 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,1,0,0,0,0|0,0,2]=3 4718 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,1,0,0,0,0|0,0,2]=3 4719 B9R0.45 CCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210303 [0,1,0,0,0,0|3,0,0]=4 4720 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,1,0,0,0,0|2,0,1]=4 4721 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,1,0,0,0,0|2,0,1]=4 4722 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,1,0,0,0,0|2,0,1]=4 4723 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,1,0,0,0,0|2,0,1]=4 4724 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,1,0,0,0,0|1,0,2]=4 4725 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,1,0,0,0,0|1,0,2]=4 4726 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [0,1,0,0,0,0|2,0,1]=4 4727 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,1,0,0,0,0|1,0,2]=4 4728 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,1,0,0,0,0|1,0,1]=3 4729 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,1,0,0,0,0|1,0,1]=3 4730 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,1,0,0,0,0|1,0,1]=3 4731 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,1,0,0,0,0|1,0,1]=3 4732 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,1,0,0,0,0|1,0,1]=3 4733 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,1,0,0,0,0|1,0,1]=3 4734 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,1,0,0,0,0|1,0,1]=3 4735 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,1,0,0,0,0|1,0,1]=3 4736 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,1,0,0,0,0|0,0,2]=3 4737 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,1,0,0,0,0|2,0,0]=3 4738 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,1,0,0,0,0|2,0,0]=3 4739 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,1,0,0,0,0|2,0,0]=3 4740 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,1,0,0,0,0|2,0,0]=3 4741 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,1,0,0,0,0|2,0,1]=4 4742 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,1,0,0,0,0|2,0,1]=4 4743 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,1,0,0,0,0|2,0,1]=4 4744 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,1,0,0,0,0|2,0,1]=4 4745 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,1,0,0,0,0|2,0,1]=4 4746 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,1,0,0,0,0|2,0,1]=4 4747 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,1,0,0,0,0|2,0,1]=4 4748 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,1,0,0,0,0|2,0,1]=4 4749 B9R0.45 CCCOCCNCC#N 2230a_100161115042_100011215382 [0,1,0,0,0,0|2,0,1]=4 4750 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [0,1,0,0,0,0|1,0,0]=2 4751 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [0,1,0,0,0,0|1,0,0]=2 4752 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [0,1,0,0,0,0|2,0,1]=4 4753 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [0,1,0,0,0,0|2,0,1]=4 4754 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [0,1,0,0,0,0|2,0,1]=4 4755 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,1,0,0,0,0|1,0,2]=4 4756 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,1,0,0,0,0|1,0,2]=4 4757 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,1,0,0,0,0|1,0,2]=4 4758 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,1,0,0,0,0|1,0,2]=4 4759 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [0,1,0,0,0,0|3,0,0]=4 4760 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [0,1,0,0,0,0|3,0,0]=4 4761 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [0,1,0,0,0,0|3,0,0]=4 4762 B9R0.45 CCCOCCOCC#N 7a_100000752267_100011215382 [0,1,0,0,0,0|2,0,1]=4 4763 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [0,1,0,0,0,0|1,0,0]=2 4764 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [0,1,0,0,0,0|1,0,0]=2 4765 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,1,0,0,0,0|2,0,1]=4 4766 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,1,0,0,0,0|2,0,1]=4 4767 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,1,0,0,0,0|2,0,1]=4 4768 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,1,0,0,0,0|2,0,1]=4 4769 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,1,0,0,0,0|2,0,1]=4 4770 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,1,0,0,0,0|2,0,1]=4 4771 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,1,0,0,0,0|2,0,1]=4 4772 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,1,0,0,0,0|2,0,1]=4 4773 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,1,0,0,0,0|2,0,1]=4 4774 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,1,0,0,0,0|2,0,1]=4 4775 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,1,0,0,0,0|2,0,1]=4 4776 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,1,0,0,0,0|2,0,1]=4 4777 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,1,0,0,0,0|2,0,1]=4 4778 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,1,0,0,0,0|2,0,1]=4 4779 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,1,0,0,0,0|2,0,1]=4 4780 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,1,0,0,0,0|2,0,1]=4 4781 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,1,0,0,0,0|1,0,2]=4 4782 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,1,0,0,0,0|1,0,2]=4 4783 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,1,0,0,0,0|1,0,2]=4 4784 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [0,1,0,0,0,0|3,0,0]=4 4785 B9R0.45 CCCOCCSCC#N 62a_100011215382_100011215938 [0,1,0,0,0,0|2,0,1]=4 4786 B9R0.45 CCCOCCSCC#N 62a_100011215938_100011215382 [0,1,0,0,0,0|2,0,1]=4 4787 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,1,0,0,0,0|1,0,0]=2 4788 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,1,0,0,0,0|1,0,0]=2 4789 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,1,0,0,0,0|2,0,1]=4 4790 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,1,0,0,0,0|2,0,1]=4 4791 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,1,0,0,0,0|2,0,1]=4 4792 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,1,0,0,0,0|2,0,1]=4 4793 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [0,1,0,0,0,0|2,0,1]=4 4794 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [0,1,0,0,0,0|2,0,1]=4 4795 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,1,0,0,0,0|1,0,2]=4 4796 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,1,0,0,0,0|1,0,2]=4 4797 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [0,1,0,0,0,0|3,0,0]=4 4798 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [0,1,0,0,0,0|3,0,0]=4 4799 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [0,1,0,0,0,0|3,0,0]=4 4800 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [0,1,0,0,0,0|3,0,0]=4 4801 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [0,1,0,0,0,0|1,0,1]=3 4802 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [0,1,0,0,0,0|1,0,1]=3 4803 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,1,0,0,0,0|0,0,0]=1 4804 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,1,0,0,0,0|0,0,0]=1 4805 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,1,0,0,0,0|1,0,1]=3 4806 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,1,0,0,0,0|1,0,1]=3 4807 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,1,0,0,0,0|0,0,2]=3 4808 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,1,0,0,0,0|0,0,2]=3 4809 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,1,0,0,0,0|2,0,0]=3 4810 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,1,0,0,0,0|2,0,0]=3 4811 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,1,0,0,0,0|2,0,1]=4 4812 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,1,0,0,0,0|2,0,1]=4 4813 B9R0.45 CCCSCCNCC#N 2230a_100020603323_100011215382 [0,1,0,0,0,0|2,0,1]=4 4814 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,1,0,0,0,0|1,0,0]=2 4815 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [0,1,0,0,0,0|2,0,1]=4 4816 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,1,0,0,0,0|1,0,2]=4 4817 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [0,1,0,0,0,0|3,0,0]=4 4818 B9R0.45 CCCSCCNCSC 2230a_100020603323_100011218213 [0,1,0,0,0,0|3,0,0]=4 4819 B9R0.45 CCCSCCOCC#N 62a_100000210303_200000047693 [0,1,0,0,0,0|2,0,1]=4 4820 B9R0.45 CCCSCCOCC#N 62a_200000047693_100000210303 [0,1,0,0,0,0|2,0,1]=4 4821 B9R0.45 CCCSCCOCC#N 7a_200000230433_100011215382 [0,1,0,0,0,0|2,0,1]=4 4822 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,1,0,0,0,0|1,0,0]=2 4823 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,1,0,0,0,0|1,0,0]=2 4824 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,1,0,0,0,0|2,0,1]=4 4825 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,1,0,0,0,0|2,0,1]=4 4826 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,1,0,0,0,0|1,0,2]=4 4827 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,1,0,0,0,0|1,0,2]=4 4828 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,1,0,0,0,0|1,0,2]=4 4829 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,1,0,0,0,0|1,0,2]=4 4830 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [0,1,0,0,0,0|3,0,0]=4 4831 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [0,1,0,0,0,0|3,0,0]=4 4832 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [0,1,0,0,0,0|3,0,0]=4 4833 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [0,1,0,0,0,0|1,0,1]=3 4834 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,1,0,0,0,0|0,0,0]=1 4835 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,1,0,0,0,0|1,0,1]=3 4836 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,1,0,0,0,0|0,0,2]=3 4837 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,1,0,0,0,0|0,0,2]=3 4838 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,1,0,0,0,0|0,0,2]=3 4839 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,1,0,0,0,0|2,0,0]=3 4840 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,1,0,0,0,0|2,0,0]=3 4841 B9R0.45 CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210202 [0,1,0,0,0,0|3,0,0]=4 4842 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [0,1,0,0,0,0|3,0,0]=4 4843 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [0,1,0,0,0,0|3,0,0]=4 4844 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [0,1,0,0,0,0|3,0,0]=4 4845 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,1,0,0,0,0|1,0,1]=3 4846 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,1,0,0,0,0|1,0,1]=3 4847 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,1,0,0,0,0|1,0,1]=3 4848 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,1,0,0,0,0|1,0,1]=3 4849 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,1,0,0,0,0|1,0,1]=3 4850 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,1,0,0,0,0|1,0,1]=3 4851 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,1,0,0,0,0|1,0,1]=3 4852 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,1,0,0,0,0|1,0,1]=3 4853 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,1,0,0,0,0|0,0,2]=3 4854 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,1,0,0,0,0|2,0,0]=3 4855 B9R0.45 CCOCCCNCC#N 2230a_100000210961_100011215382 [0,1,0,0,0,0|2,0,1]=4 4856 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [0,1,0,0,0,0|1,0,0]=2 4857 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [0,1,0,0,0,0|1,0,0]=2 4858 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [0,1,0,0,0,0|2,0,1]=4 4859 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [0,1,0,0,0,0|2,0,1]=4 4860 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [0,1,0,0,0,0|2,0,1]=4 4861 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,1,0,0,0,0|1,0,2]=4 4862 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,1,0,0,0,0|1,0,2]=4 4863 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,1,0,0,0,0|1,0,2]=4 4864 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,1,0,0,0,0|1,0,2]=4 4865 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [0,1,0,0,0,0|3,0,0]=4 4866 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [0,1,0,0,0,0|3,0,0]=4 4867 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [0,1,0,0,0,0|3,0,0]=4 4868 B9R0.45 CCOCCCOCC#N 7a_100000757476_100011215382 [0,1,0,0,0,0|2,0,1]=4 4869 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [0,1,0,0,0,0|1,0,0]=2 4870 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [0,1,0,0,0,0|1,0,0]=2 4871 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [0,1,0,0,0,0|2,0,1]=4 4872 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [0,1,0,0,0,0|2,0,1]=4 4873 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [0,1,0,0,0,0|2,0,1]=4 4874 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [0,1,0,0,0,0|2,0,1]=4 4875 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,1,0,0,0,0|1,0,2]=4 4876 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,1,0,0,0,0|1,0,2]=4 4877 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [0,1,0,0,0,0|3,0,0]=4 4878 B9R0.45 CCOCCCSCC#N 62a_100011215382_100012232248 [0,1,0,0,0,0|2,0,1]=4 4879 B9R0.45 CCOCCCSCC#N 62a_100012232248_100011215382 [0,1,0,0,0,0|2,0,1]=4 4880 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [0,1,0,0,0,0|1,0,0]=2 4881 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [0,1,0,0,0,0|1,0,0]=2 4882 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,1,0,0,0,0|2,0,1]=4 4883 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,1,0,0,0,0|2,0,1]=4 4884 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,1,0,0,0,0|1,0,2]=4 4885 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,1,0,0,0,0|1,0,2]=4 4886 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [0,1,0,0,0,0|3,0,0]=4 4887 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [0,1,0,0,0,0|3,0,0]=4 4888 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [0,1,0,0,0,0|3,0,0]=4 4889 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [0,1,0,0,0,0|3,0,0]=4 4890 B9R0.45 CCOCCNCCC#N 2230a_102516460346_100011215226 [0,1,0,0,0,0|2,0,1]=4 4891 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [0,1,0,0,0,0|2,0,1]=4 4892 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [0,1,0,0,0,0|2,0,1]=4 4893 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [0,1,0,0,0,0|2,0,1]=4 4894 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [0,1,0,0,0,0|2,0,1]=4 4895 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,1,0,0,0,0|1,0,2]=4 4896 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,1,0,0,0,0|1,0,2]=4 4897 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [0,1,0,0,0,0|3,0,0]=4 4898 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [0,1,0,0,0,0|3,0,0]=4 4899 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [0,1,0,0,0,0|3,0,0]=4 4900 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [0,1,0,0,0,0|3,0,0]=4 4901 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [0,1,0,0,0,0|3,0,0]=4 4902 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [0,1,0,0,0,0|3,0,0]=4 4903 B9R0.45 CCOCCOCCC#N 7a_100000210136_100000184422 [0,1,0,0,0,0|2,0,1]=4 4904 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [0,1,0,0,0,0|2,0,1]=4 4905 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [0,1,0,0,0,0|2,0,1]=4 4906 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [0,1,0,0,0,0|2,0,1]=4 4907 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [0,1,0,0,0,0|2,0,1]=4 4908 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [0,1,0,0,0,0|2,0,1]=4 4909 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [0,1,0,0,0,0|2,0,1]=4 4910 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,1,0,0,0,0|1,0,2]=4 4911 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,1,0,0,0,0|1,0,2]=4 4912 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [0,1,0,0,0,0|3,0,0]=4 4913 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [0,1,0,0,0,0|3,0,0]=4 4914 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [0,1,0,0,0,0|3,0,0]=4 4915 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [0,1,0,0,0,0|3,0,0]=4 4916 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [0,1,0,0,0,0|3,0,0]=4 4917 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [0,1,0,0,0,0|3,0,0]=4 4918 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [0,1,0,0,0,0|3,0,0]=4 4919 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [0,1,0,0,0,0|3,0,0]=4 4920 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [0,1,0,0,0,0|3,0,0]=4 4921 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [0,1,0,0,0,0|3,0,0]=4 4922 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [0,1,0,0,0,0|3,0,0]=4 4923 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [0,1,0,0,0,0|3,0,0]=4 4924 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [0,1,0,0,0,0|3,0,0]=4 4925 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [0,1,0,0,0,0|3,0,0]=4 4926 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [0,1,0,0,0,0|3,0,0]=4 4927 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [0,1,0,0,0,0|3,0,0]=4 4928 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [0,1,0,0,0,0|3,0,0]=4 4929 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [0,1,0,0,0,0|3,0,0]=4 4930 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [0,1,0,0,0,0|3,0,0]=4 4931 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [0,1,0,0,0,0|3,0,0]=4 4932 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [0,1,0,0,0,0|3,0,0]=4 4933 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [0,1,0,0,0,0|3,0,0]=4 4934 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [0,1,0,0,0,0|3,0,0]=4 4935 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [0,1,0,0,0,0|3,0,0]=4 4936 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [0,1,0,0,0,0|3,0,0]=4 4937 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [0,1,0,0,0,0|3,0,0]=4 4938 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [0,1,0,0,0,0|3,0,0]=4 4939 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [0,1,0,0,0,0|3,0,0]=4 4940 B9R0.45 CCOCCSCCC#N 62a_100000210147_100011215226 [0,1,0,0,0,0|2,0,1]=4 4941 B9R0.45 CCOCCSCCC#N 62a_100011215226_100011215890 [0,1,0,0,0,0|2,0,1]=4 4942 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,1,0,0,0,0|2,0,1]=4 4943 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,1,0,0,0,0|2,0,1]=4 4944 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,1,0,0,0,0|1,0,2]=4 4945 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,1,0,0,0,0|1,0,2]=4 4946 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,1,0,0,0,0|3,0,0]=4 4947 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,1,0,0,0,0|3,0,0]=4 4948 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [0,1,0,0,0,0|3,0,0]=4 4949 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [0,1,0,0,0,0|3,0,0]=4 4950 B9R0.45 CCOCSCCCC#N 62a_100000687738_100000739092 [0,1,0,0,0,0|2,0,1]=4 4951 B9R0.45 CCOCSCCCC#N 62a_100000739092_100000687738 [0,1,0,0,0,0|2,0,1]=4 4952 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,1,0,0,0,0|1,0,0]=2 4953 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,1,0,0,0,0|1,0,0]=2 4954 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [0,1,0,0,0,0|2,0,1]=4 4955 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [0,1,0,0,0,0|2,0,1]=4 4956 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,1,0,0,0,0|1,0,2]=4 4957 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,1,0,0,0,0|1,0,2]=4 4958 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [0,1,0,0,0,0|3,0,0]=4 4959 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [0,1,0,0,0,0|3,0,0]=4 4960 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [0,1,0,0,0,0|1,0,1]=3 4961 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [0,1,0,0,0,0|1,0,1]=3 4962 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,1,0,0,0,0|0,0,0]=1 4963 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,1,0,0,0,0|0,0,0]=1 4964 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,1,0,0,0,0|1,0,1]=3 4965 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,1,0,0,0,0|1,0,1]=3 4966 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,1,0,0,0,0|0,0,2]=3 4967 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,1,0,0,0,0|0,0,2]=3 4968 B9R0.45 CCSCCCOCC#N 7a_100011216438_100011215382 [0,1,0,0,0,0|2,0,1]=4 4969 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [0,1,0,0,0,0|1,0,0]=2 4970 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [0,1,0,0,0,0|1,0,0]=2 4971 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [0,1,0,0,0,0|2,0,1]=4 4972 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [0,1,0,0,0,0|2,0,1]=4 4973 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,1,0,0,0,0|1,0,2]=4 4974 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,1,0,0,0,0|1,0,2]=4 4975 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [0,1,0,0,0,0|3,0,0]=4 4976 B9R0.45 CCSCCNCCC#N 2230a_100000106463_100011215226 [0,1,0,0,0,0|2,0,1]=4 4977 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [0,1,0,0,0,0|2,0,1]=4 4978 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [0,1,0,0,0,0|2,0,1]=4 4979 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [0,1,0,0,0,0|2,0,1]=4 4980 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [0,1,0,0,0,0|1,0,2]=4 4981 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [0,1,0,0,0,0|3,0,0]=4 4982 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [0,1,0,0,0,0|3,0,0]=4 4983 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [0,1,0,0,0,0|3,0,0]=4 4984 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [0,1,0,0,0,0|3,0,0]=4 4985 B9R0.45 CCSCCOCCC#N 7a_100000212035_100000184422 [0,1,0,0,0,0|2,0,1]=4 4986 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [0,1,0,0,0,0|2,0,1]=4 4987 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [0,1,0,0,0,0|2,0,1]=4 4988 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [0,1,0,0,0,0|2,0,1]=4 4989 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [0,1,0,0,0,0|2,0,1]=4 4990 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [0,1,0,0,0,0|2,0,1]=4 4991 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [0,1,0,0,0,0|2,0,1]=4 4992 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,1,0,0,0,0|1,0,2]=4 4993 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,1,0,0,0,0|1,0,2]=4 4994 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [0,1,0,0,0,0|3,0,0]=4 4995 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [0,1,0,0,0,0|3,0,0]=4 4996 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [0,1,0,0,0,0|3,0,0]=4 4997 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [0,1,0,0,0,0|3,0,0]=4 4998 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [0,1,0,0,0,0|3,0,0]=4 4999 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [0,1,0,0,0,0|3,0,0]=4 5000 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [0,1,0,0,0,0|3,0,0]=4 5001 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [0,1,0,0,0,0|3,0,0]=4 5002 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [0,1,0,0,0,0|3,0,0]=4 5003 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [0,1,0,0,0,0|3,0,0]=4 5004 B9R0.45 CCSCCSCCC#N 62a_100000757381_100011215226 [0,1,0,0,0,0|2,0,1]=4 5005 B9R0.45 CCSCCSCCC#N 62a_100011215226_100000757381 [0,1,0,0,0,0|2,0,1]=4 5006 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [0,1,0,0,0,0|2,0,1]=4 5007 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [0,1,0,0,0,0|2,0,1]=4 5008 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,1,0,0,0,0|1,0,2]=4 5009 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,1,0,0,0,0|1,0,2]=4 5010 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [0,1,0,0,0,0|3,0,0]=4 5011 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [0,1,0,0,0,0|3,0,0]=4 5012 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [0,1,0,0,0,0|3,0,0]=4 5013 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [0,1,0,0,0,0|3,0,0]=4 5014 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [0,1,0,0,0,0|1,0,1]=3 5015 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [0,1,0,0,0,0|1,0,1]=3 5016 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,1,0,0,0,0|0,0,2]=3 5017 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,1,0,0,0,0|0,0,2]=3 5018 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,1,0,0,0,0|0,0,2]=3 5019 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,1,0,0,0,0|0,0,2]=3 5020 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,1,0,0,0,0|0,0,2]=3 5021 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,1,0,0,0,0|2,0,0]=3 5022 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,1,0,0,0,0|2,0,0]=3 5023 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,1,0,0,0,0|2,0,0]=3 5024 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [0,1,0,0,0,0|2,0,1]=4 5025 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [0,1,0,0,0,0|2,0,1]=4 5026 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,1,0,0,0,0|1,0,2]=4 5027 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,1,0,0,0,0|1,0,2]=4 5028 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,1,0,0,0,0|1,0,2]=4 5029 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [0,1,0,0,0,0|3,0,0]=4 5030 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [0,1,0,0,0,0|3,0,0]=4 5031 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [0,1,0,0,0,0|3,0,0]=4 5032 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [0,1,0,0,0,0|3,0,0]=4 5033 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [0,1,0,0,0,0|3,0,0]=4 5034 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [0,1,0,0,0,0|3,0,0]=4 5035 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [0,1,0,0,0,0|3,0,0]=4 5036 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,1,0,0,0,0|1,0,1]=3 5037 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,1,0,0,0,0|1,0,1]=3 5038 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,1,0,0,0,0|1,0,1]=3 5039 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,1,0,0,0,0|0,0,2]=3 5040 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,1,0,0,0,0|2,0,0]=3 5041 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,1,0,0,0,0|2,0,0]=3 5042 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,1,0,0,0,0|2,0,0]=3 5043 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,1,0,0,0,0|2,0,0]=3 5044 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,1,0,0,0,0|2,0,0]=3 5045 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,1,0,0,0,0|2,0,0]=3 5046 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,1,0,0,0,0|2,0,0]=3 5047 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,1,0,0,0,0|2,0,0]=3 5048 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,1,0,0,0,0|2,0,0]=3 5049 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [0,1,0,0,0,0|2,0,1]=4 5050 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [0,1,0,0,0,0|2,0,1]=4 5051 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,1,0,0,0,0|1,0,2]=4 5052 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,1,0,0,0,0|1,0,2]=4 5053 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [0,1,0,0,0,0|1,0,0]=2 5054 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,1,0,0,0,0|2,0,1]=4 5055 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,1,0,0,0,0|2,0,1]=4 5056 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,1,0,0,0,0|2,0,1]=4 5057 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,1,0,0,0,0|1,0,2]=4 5058 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [0,1,0,0,0,0|3,0,0]=4 5059 B9R0.45 COCCCCSCC#N 62a_100000730899_100011215382 [0,1,0,0,0,0|2,0,1]=4 5060 B9R0.45 COCCCCSCC#N 62a_100011215382_100000730899 [0,1,0,0,0,0|2,0,1]=4 5061 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,1,0,0,0,0|1,0,0]=2 5062 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,1,0,0,0,0|1,0,0]=2 5063 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,1,0,0,0,0|2,0,1]=4 5064 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,1,0,0,0,0|2,0,1]=4 5065 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,1,0,0,0,0|1,0,2]=4 5066 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,1,0,0,0,0|1,0,2]=4 5067 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [0,1,0,0,0,0|3,0,0]=4 5068 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [0,1,0,0,0,0|3,0,0]=4 5069 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [0,1,0,0,0,0|3,0,0]=4 5070 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [0,1,0,0,0,0|3,0,0]=4 5071 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [0,1,0,0,0,0|2,0,1]=4 5072 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [0,1,0,0,0,0|2,0,1]=4 5073 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [0,1,0,0,0,0|2,0,1]=4 5074 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,1,0,0,0,0|1,0,2]=4 5075 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [0,1,0,0,0,0|3,0,0]=4 5076 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [0,1,0,0,0,0|3,0,0]=4 5077 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [0,1,0,0,0,0|3,0,0]=4 5078 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [0,1,0,0,0,0|3,0,0]=4 5079 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [0,1,0,0,0,0|2,0,1]=4 5080 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [0,1,0,0,0,0|2,0,1]=4 5081 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [0,1,0,0,0,0|2,0,1]=4 5082 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [0,1,0,0,0,0|2,0,1]=4 5083 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [0,1,0,0,0,0|2,0,1]=4 5084 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [0,1,0,0,0,0|2,0,1]=4 5085 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,1,0,0,0,0|1,0,2]=4 5086 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [0,1,0,0,0,0|3,0,0]=4 5087 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [0,1,0,0,0,0|3,0,0]=4 5088 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [0,1,0,0,0,0|3,0,0]=4 5089 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [0,1,0,0,0,0|3,0,0]=4 5090 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [0,1,0,0,0,0|3,0,0]=4 5091 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [0,1,0,0,0,0|3,0,0]=4 5092 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [0,1,0,0,0,0|3,0,0]=4 5093 B9R0.45 COCCCSCCC#N 62a_100000709357_100011215226 [0,1,0,0,0,0|2,0,1]=4 5094 B9R0.45 COCCCSCCC#N 62a_100011215226_100000709357 [0,1,0,0,0,0|2,0,1]=4 5095 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [0,1,0,0,0,0|2,0,1]=4 5096 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [0,1,0,0,0,0|2,0,1]=4 5097 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,1,0,0,0,0|1,0,2]=4 5098 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,1,0,0,0,0|1,0,2]=4 5099 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [0,1,0,0,0,0|3,0,0]=4 5100 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [0,1,0,0,0,0|3,0,0]=4 5101 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [0,1,0,0,0,0|3,0,0]=4 5102 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [0,1,0,0,0,0|3,0,0]=4 5103 B9R0.45 COCCNCCCC#N 2230a_100000209980_100000687738 [0,1,0,0,0,0|2,0,1]=4 5104 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,1,0,0,0,0|1,0,0]=2 5105 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [0,1,0,0,0,0|2,0,1]=4 5106 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,1,0,0,0,0|1,0,2]=4 5107 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,1,0,0,0,0|1,0,2]=4 5108 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,1,0,0,0,0|1,0,2]=4 5109 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [0,1,0,0,0,0|3,0,0]=4 5110 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [0,1,0,0,0,0|2,0,1]=4 5111 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [0,1,0,0,0,0|2,0,1]=4 5112 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [0,1,0,0,0,0|2,0,1]=4 5113 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [0,1,0,0,0,0|2,0,1]=4 5114 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [0,1,0,0,0,0|2,0,1]=4 5115 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [0,1,0,0,0,0|2,0,1]=4 5116 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [0,1,0,0,0,0|2,0,1]=4 5117 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [0,1,0,0,0,0|2,0,1]=4 5118 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,1,0,0,0,0|1,0,2]=4 5119 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [0,1,0,0,0,0|3,0,0]=4 5120 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [0,1,0,0,0,0|3,0,0]=4 5121 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [0,1,0,0,0,0|3,0,0]=4 5122 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [0,1,0,0,0,0|3,0,0]=4 5123 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [0,1,0,0,0,0|3,0,0]=4 5124 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [0,1,0,0,0,0|3,0,0]=4 5125 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [0,1,0,0,0,0|3,0,0]=4 5126 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [0,1,0,0,0,0|3,0,0]=4 5127 B9R0.45 COCCOCSCC=O 62a_100000231047_200015260668 [0,1,0,0,0,0|2,0,0]=3 5128 B9R0.45 COCCOCSCC=O 62a_200015260668_100000231047 [0,1,0,0,0,0|2,0,0]=3 5129 B9R0.45 COCCSCCCC#N 62a_100000233755_100000687738 [0,1,0,0,0,0|2,0,1]=4 5130 B9R0.45 COCCSCCCC#N 62a_100000687738_100000233755 [0,1,0,0,0,0|2,0,1]=4 5131 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,1,0,0,0,0|1,0,0]=2 5132 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,1,0,0,0,0|1,0,0]=2 5133 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [0,1,0,0,0,0|2,0,1]=4 5134 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [0,1,0,0,0,0|2,0,1]=4 5135 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,1,0,0,0,0|1,0,2]=4 5136 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,1,0,0,0,0|1,0,2]=4 5137 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,1,0,0,0,0|1,0,2]=4 5138 B9R0.45 COCSCCCCC#N 62a_100000766300_100000211819 [0,1,0,0,0,0|2,0,1]=4 5139 B9R0.45 COCSCCCCC#N 62a_100011219923_100000766300 [0,1,0,0,0,0|2,0,1]=4 5140 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,1,0,0,0,0|1,0,0]=2 5141 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,1,0,0,0,0|1,0,0]=2 5142 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [0,1,0,0,0,0|2,0,1]=4 5143 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [0,1,0,0,0,0|2,0,1]=4 5144 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,1,0,0,0,0|1,0,2]=4 5145 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,1,0,0,0,0|1,0,2]=4 5146 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [0,1,0,0,0,0|1,0,1]=3 5147 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [0,1,0,0,0,0|1,0,1]=3 5148 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,1,0,0,0,0|0,0,2]=3 5149 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,1,0,0,0,0|0,0,2]=3 5150 B9R0.45 CSCCCCOCC#N 7a_100011217163_100011215382 [0,1,0,0,0,0|2,0,1]=4 5151 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [0,1,0,0,0,0|1,0,0]=2 5152 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [0,1,0,0,0,0|1,0,0]=2 5153 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [0,1,0,0,0,0|2,0,1]=4 5154 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [0,1,0,0,0,0|2,0,1]=4 5155 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,1,0,0,0,0|1,0,2]=4 5156 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,1,0,0,0,0|1,0,2]=4 5157 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [0,1,0,0,0,0|3,0,0]=4 5158 B9R0.45 CSCCCNCCC#N 2230a_100000749238_100011215226 [0,1,0,0,0,0|2,0,1]=4 5159 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [0,1,0,0,0,0|2,0,1]=4 5160 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,1,0,0,0,0|1,0,2]=4 5161 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [0,1,0,0,0,0|3,0,0]=4 5162 B9R0.45 CSCCCOCCC#N 7a_100000690336_100000184422 [0,1,0,0,0,0|2,0,1]=4 5163 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [0,1,0,0,0,0|2,0,1]=4 5164 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [0,1,0,0,0,0|2,0,1]=4 5165 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,1,0,0,0,0|1,0,2]=4 5166 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,1,0,0,0,0|1,0,2]=4 5167 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [0,1,0,0,0,0|3,0,0]=4 5168 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [0,1,0,0,0,0|3,0,0]=4 5169 B9R0.45 CSCCNCCCC#N 2230a_100020590264_100000687738 [0,1,0,0,0,0|2,0,1]=4 5170 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,1,0,0,0,0|1,0,0]=2 5171 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [0,1,0,0,0,0|2,0,1]=4 5172 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,1,0,0,0,0|1,0,2]=4 5173 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,1,0,0,0,0|1,0,2]=4 5174 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,1,0,0,0,0|1,0,2]=4 5175 B9R0.45 CSCCOCCCC#N 7a_100000230434_100000687738 [0,1,0,0,0,0|2,0,1]=4 5176 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,1,0,0,0,0|1,0,0]=2 5177 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [0,1,0,0,0,0|2,0,1]=4 5178 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [0,1,0,0,0,0|2,0,1]=4 5179 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [0,1,0,0,0,0|2,0,1]=4 5180 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [0,1,0,0,0,0|2,0,1]=4 5181 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [0,1,0,0,0,0|2,0,1]=4 5182 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [0,1,0,0,0,0|2,0,1]=4 5183 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [0,1,0,0,0,0|2,0,1]=4 5184 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [0,1,0,0,0,0|2,0,1]=4 5185 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [0,1,0,0,0,0|2,0,1]=4 5186 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,1,0,0,0,0|1,0,2]=4 5187 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,1,0,0,0,0|1,0,2]=4 5188 B9R0.45 CSCCSCCCC#N 62a_100000212216_100000687738 [0,1,0,0,0,0|2,0,1]=4 5189 B9R0.45 CSCCSCCCC#N 62a_100000687738_100000751147 [0,1,0,0,0,0|2,0,1]=4 5190 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,1,0,0,0,0|1,0,0]=2 5191 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,1,0,0,0,0|1,0,0]=2 5192 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [0,1,0,0,0,0|2,0,1]=4 5193 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [0,1,0,0,0,0|2,0,1]=4 5194 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,1,0,0,0,0|1,0,2]=4 5195 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,1,0,0,0,0|1,0,2]=4 5196 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,1,0,0,0,0|1,0,2]=4 5197 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,1,0,0,0,0|1,0,2]=4 5198 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [0,1,0,0,0,0|2,0,1]=4 5199 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [0,1,0,0,0,0|2,0,1]=4 5200 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [0,1,0,0,0,0|2,0,1]=4 5201 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [0,1,0,0,0,0|2,0,1]=4 5202 B9R0.45 CSCSCCCCC#N 62a_100011218213_100000211819 [0,1,0,0,0,0|2,0,1]=4 5203 B9R0.45 CSCSCCCCC#N 62a_100011219923_100011218213 [0,1,0,0,0,0|2,0,1]=4 5204 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,1,0,0,0,0|1,0,0]=2 5205 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,1,0,0,0,0|1,0,0]=2 5206 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [0,1,0,0,0,0|2,0,1]=4 5207 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [0,1,0,0,0,0|2,0,1]=4 5208 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,1,0,0,0,0|1,0,2]=4 5209 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,1,0,0,0,0|1,0,2]=4 5210 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,1,0,0,0,0|2,0,1]=4 5211 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,1,0,0,0,0|2,0,1]=4 5212 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [0,1,0,0,0,0|2,0,1]=4 5213 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [0,1,0,0,0,0|2,0,1]=4 5214 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [0,1,0,0,0,0|2,0,1]=4 5215 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [0,1,0,0,0,0|2,0,1]=4 5216 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [0,1,0,0,0,0|2,0,1]=4 5217 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [0,1,0,0,0,0|2,0,1]=4 5218 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [0,1,0,0,0,0|2,0,1]=4 5219 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [0,1,0,0,0,0|2,0,1]=4 5220 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [0,1,0,0,0,0|2,0,1]=4 5221 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [0,1,0,0,0,0|2,0,1]=4 5222 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [0,1,0,0,0,0|2,0,1]=4 5223 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [0,1,0,0,0,0|2,0,1]=4 5224 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [0,1,0,0,0,0|2,0,1]=4 5225 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [0,1,0,0,0,0|2,0,1]=4 5226 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [0,1,0,0,0,0|2,0,1]=4 5227 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [0,1,0,0,0,0|2,0,1]=4 5228 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [0,1,0,0,0,0|2,0,1]=4 5229 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [0,1,0,0,0,0|2,0,1]=4 5230 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [0,1,0,0,0,0|2,0,1]=4 5231 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [0,1,0,0,0,0|2,0,1]=4 5232 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [0,1,0,0,0,0|2,0,1]=4 5233 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [0,1,0,0,0,0|2,0,1]=4 5234 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [0,1,0,0,0,0|2,0,1]=4 5235 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [0,1,0,0,0,0|2,0,1]=4 5236 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [0,1,0,0,0,0|2,0,1]=4 5237 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,1,0,0,0,0|2,0,1]=4 5238 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,1,0,0,0,0|2,0,1]=4 5239 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,1,0,0,0,0|2,0,1]=4 5240 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,1,0,0,0,0|2,0,1]=4 5241 B9R0.45 N#CCCCCCSCF 62a_100009813376_100015361967 [0,1,0,0,0,0|2,0,1]=4 5242 B9R0.45 N#CCCCCCSCF 62a_100015361967_100009813376 [0,1,0,0,0,0|2,0,1]=4 5243 B9R0.45 N#CCCCCNCCO 2230a_100016997473_100000211819 [0,1,0,0,0,0|2,0,1]=4 5244 B9R0.45 N#CCCCCSCC=O 62a_100011219923_200015260668 [0,1,0,0,0,0|1,0,1]=3 5245 B9R0.45 N#CCCCCSCC=O 62a_200015260668_100000211819 [0,1,0,0,0,0|1,0,1]=3 5246 B9R0.45 N#CCCCCSCCF 62a_100011217306_100000211819 [0,1,0,0,0,0|2,0,1]=4 5247 B9R0.45 N#CCCCCSCCF 62a_100011219923_100011217306 [0,1,0,0,0,0|2,0,1]=4 5248 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [0,1,0,0,0,0|2,0,1]=4 5249 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [0,1,0,0,0,0|2,0,1]=4 5250 B9R0.45 N#CCCCNCCCF 2230a_100015189416_100000687738 [0,1,0,0,0,0|2,0,1]=4 5251 B9R0.45 N#CCCCSCCCF 62a_100000687738_100011934791 [0,1,0,0,0,0|2,0,1]=4 5252 B9R0.45 N#CCCCSCCCF 62a_100011934791_100000687738 [0,1,0,0,0,0|2,0,1]=4 5253 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [0,1,0,0,0,0|2,0,1]=4 5254 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [0,1,0,0,0,0|2,0,1]=4 5255 B9R0.45 N#CCCNCCCCO 2230a_100000750430_100011215226 [0,1,0,0,0,0|2,0,1]=4 5256 B9R0.45 N#CCCOCCCCCl 7a_100000210776_100000184422 [0,1,0,0,0,0|2,0,1]=4 5257 B9R0.45 N#CCCOCCCCF 7a_100011995726_100000184422 [0,1,0,0,0,0|2,0,1]=4 5258 B9R0.45 N#CCCSCCCC=O 62a_100011215226_200011292268 [0,1,0,0,0,0|1,0,1]=3 5259 B9R0.45 N#CCCSCCCC=O 62a_200011292268_100011215226 [0,1,0,0,0,0|1,0,1]=3 5260 B9R0.45 N#CCCSCCCCF 62a_100000729493_100011215226 [0,1,0,0,0,0|2,0,1]=4 5261 B9R0.45 N#CCCSCCCCF 62a_100011215226_100000729493 [0,1,0,0,0,0|2,0,1]=4 5262 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [0,1,0,0,0,0|2,0,1]=4 5263 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [0,1,0,0,0,0|2,0,1]=4 5264 B9R0.45 N#CCNCCCCCO 2230a_100000762737_100011215382 [0,1,0,0,0,0|2,0,1]=4 5265 B9R0.45 N#CCOCCCCCBr 7a_100000746331_100011215382 [0,1,0,0,0,0|2,0,1]=4 5266 B9R0.45 N#CCOCCCCCCl 7a_100000746330_100011215382 [0,1,0,0,0,0|2,0,1]=4 5267 B9R0.45 N#CCOCCCCCI 7a_200012148887_100011215382 [0,1,0,0,0,0|2,0,1]=4 5268 B9R0.45 N#CCOCCSCC=O 62a_200000047693_200015260668 [0,1,0,0,0,0|2,0,1]=4 5269 B9R0.45 N#CCOCCSCC=O 62a_200015260668_200000047693 [0,1,0,0,0,0|2,0,1]=4 5270 B9R0.45 N#CCSCCCCC=O 62a_100000139335_100011215382 [0,1,0,0,0,0|1,0,1]=3 5271 B9R0.45 N#CCSCCCCC=O 62a_100011215382_100000139335 [0,1,0,0,0,0|1,0,1]=3 5272 B9R0.45 N#CCSCCCCCF 62a_100000729378_100011215382 [0,1,0,0,0,0|2,0,1]=4 5273 B9R0.45 N#CCSCCCCCF 62a_100011215382_100000729378 [0,1,0,0,0,0|2,0,1]=4 5274 B9R0.45 N#CCSCCCCCO 62a_100000746330_100011215382 [0,1,0,0,0,0|2,0,1]=4 5275 B9R0.45 N#CCSCCCCCO 62a_100011215382_100000746330 [0,1,0,0,0,0|2,0,1]=4 5276 B9R0.45 N#CSCSCCCC=O 62a_100000211825_200011292268 [0,1,0,0,0,0|2,0,1]=4 5277 B9R0.45 N#CSCSCCCC=O 62a_200011292268_100000211825 [0,1,0,0,0,0|2,0,1]=4 5278 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,1,0,0,0,0|2,0,1]=4 5279 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [0,1,0,0,0,0|1,0,0]=2 5280 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [0,1,0,0,0,0|2,0,1]=4 5281 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,1,0,0,0,0|1,0,2]=4 5282 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [0,1,0,0,0,0|2,0,1]=4 5283 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,1,0,0,0,0|1,0,2]=4 5284 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [0,1,0,0,0,0|2,0,1]=4 5285 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,1,0,0,0,0|1,0,2]=4 5286 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [0,1,0,0,0,0|2,0,1]=4 5287 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,1,0,0,0,0|1,0,2]=4 5288 B9R0.45 NCCOCCOCC=O 34a_100000211614_200009817547 [0,1,0,0,0,0|2,0,0]=3 5289 B9R0.45 NOCCOCCCCF 34a_100000700252_100000729493 [0,1,0,0,0,0|3,0,0]=4 5290 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [0,1,0,0,0,0|3,0,0]=4 5291 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [0,1,0,0,0,0|1,0,0]=2 5292 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [0,1,0,0,0,0|1,0,0]=2 5293 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,1,0,0,0,0|1,0,0]=2 5294 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [0,1,0,0,0,0|1,0,1]=3 5295 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [0,1,0,0,0,0|1,0,1]=3 5296 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [0,1,0,0,0,0|1,0,0]=2 5297 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [0,1,0,0,0,0|1,0,0]=2 5298 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,1,0,0,0,0|1,0,0]=2 5299 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,1,0,0,0,0|1,0,0]=2 5300 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [0,1,0,0,0,0|1,0,0]=2 5301 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,1,0,0,0,0|1,0,0]=2 5302 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,1,0,0,0,0|1,0,0]=2 5303 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,1,0,0,0,0|1,0,0]=2 5304 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,1,0,0,0,0|1,0,0]=2 5305 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,1,0,0,0,0|1,0,0]=2 5306 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,1,0,0,0,0|1,0,0]=2 5307 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [0,1,0,0,0,0|2,0,0]=3 5308 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [0,1,0,0,0,0|2,0,0]=3 5309 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [0,1,0,0,0,0|2,0,0]=3 5310 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [0,1,0,0,0,0|1,0,0]=2 5311 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [0,1,0,0,0,0|1,0,0]=2 5312 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [0,1,0,0,0,0|1,0,0]=2 5313 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [0,1,0,0,0,0|1,0,0]=2 5314 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [0,1,0,0,0,0|1,0,0]=2 5315 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [0,1,0,0,0,0|1,0,0]=2 5316 B9R0.45 O=CCOCCOCCBr 34a_100000692535_200009817547 [0,1,0,0,0,0|2,0,0]=3 5317 B9R0.45 O=CCOCCOCCBr 7a_100000692535_200015260668 [0,1,0,0,0,0|2,0,0]=3 5318 B9R0.45 O=CCOCCOCCCl 34a_100011215305_200009817547 [0,1,0,0,0,0|2,0,0]=3 5319 B9R0.45 O=CCOCCOCCCl 7a_100011215305_200015260668 [0,1,0,0,0,0|2,0,0]=3 5320 B9R0.45 O=CCOCCOCCF 34a_200015357709_200009817547 [0,1,0,0,0,0|2,0,0]=3 5321 B9R0.45 O=CCOCCOCCF 7a_200015357709_200015260668 [0,1,0,0,0,0|2,0,0]=3 5322 B9R0.45 O=CCOCCOCCI 34a_100012149058_200009817547 [0,1,0,0,0,0|2,0,0]=3 5323 B9R0.45 O=CCOCCOCCI 7a_100012149058_200015260668 [0,1,0,0,0,0|2,0,0]=3 5324 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [0,1,0,0,0,0|1,0,0]=2 5325 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [0,1,0,0,0,0|1,0,0]=2 5326 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,1,0,0,0,0|1,0,0]=2 5327 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,1,0,0,0,0|1,0,0]=2 5328 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [0,1,0,0,0,0|2,0,0]=3 5329 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [0,1,0,0,0,0|2,0,0]=3 5330 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,1,0,0,0,0|1,0,2]=4 5331 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,1,0,0,0,0|1,0,2]=4 5332 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,1,0,0,0,0|1,0,2]=4 5333 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [0,1,0,0,0,0|1,0,2]=4 5334 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [0,1,0,0,0,0|1,0,2]=4 5335 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [0,1,0,0,0,0|1,0,2]=4 5336 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,1,0,0,0,0|1,0,2]=4 5337 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,1,0,0,0,0|1,0,2]=4 5338 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,1,0,0,0,0|1,0,2]=4 5339 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,1,0,0,0,0|1,0,2]=4 5340 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,1,0,0,0,0|1,0,2]=4 5341 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,1,0,0,0,0|1,0,2]=4 5342 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,1,0,0,0,0|1,0,2]=4 5343 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,1,0,0,0,0|1,0,2]=4 5344 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,1,0,0,0,0|1,0,2]=4 5345 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,1,0,0,0,0|1,0,2]=4 5346 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,1,0,0,0,0|1,0,2]=4 5347 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,1,0,0,0,0|1,0,2]=4 5348 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,1,0,0,0,0|1,0,2]=4 5349 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,1,0,0,0,0|1,0,2]=4 5350 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,1,0,0,0,0|1,0,2]=4 5351 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,1,0,0,0,0|1,0,2]=4 5352 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,1,0,0,0,0|1,0,2]=4 5353 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,1,0,0,0,0|1,0,2]=4 5354 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,1,0,0,0,0|1,0,2]=4 5355 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,1,0,0,0,0|1,0,2]=4 5356 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,1,0,0,0,0|1,0,2]=4 5357 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,1,0,0,0,0|1,0,2]=4 5358 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,1,0,0,0,0|1,0,2]=4 5359 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,1,0,0,0,0|1,0,2]=4 5360 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,1,0,0,0,0|1,0,2]=4 5361 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,1,0,0,0,0|1,0,2]=4 5362 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,1,0,0,0,0|1,0,2]=4 5363 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,1,0,0,0,0|1,0,2]=4 5364 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,1,0,0,0,0|1,0,2]=4 5365 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,1,0,0,0,0|1,0,2]=4 5366 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [0,1,0,0,0,0|1,0,2]=4 5367 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [0,1,0,0,0,0|1,0,2]=4 5368 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,1,0,0,0,0|1,0,2]=4 5369 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,1,0,0,0,0|1,0,2]=4 5370 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,1,0,0,0,0|1,0,2]=4 5371 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,1,0,0,0,0|1,0,2]=4 5372 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,1,0,0,0,0|1,0,2]=4 5373 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,1,0,0,0,0|1,0,2]=4 5374 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,1,0,0,0,0|1,0,2]=4 5375 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,1,0,0,0,0|1,0,2]=4 5376 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,1,0,0,0,0|0,0,2]=3 5377 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,1,0,0,0,0|0,0,2]=3 5378 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,1,0,0,0,0|1,0,2]=4 5379 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,1,0,0,0,0|1,0,2]=4 5380 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,1,0,0,0,0|1,0,1]=3 5381 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,1,0,0,0,0|1,0,1]=3 5382 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,1,0,0,0,0|1,0,1]=3 5383 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [0,1,0,0,0,0|2,0,1]=4 5384 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [0,1,0,0,0,0|1,0,1]=3 5385 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [0,1,0,0,0,0|1,0,1]=3 5386 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,1,0,0,0,0|0,0,2]=3 5387 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,1,0,0,0,0|0,0,2]=3 5388 B9R0.45 [N-]=[N+]=NCCCNCC=O 2230a_100000744732_200015260668 [0,1,0,0,0,0|3,0,0]=4 5389 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|1,0,2]=4 5390 B9R0.46 C#CC(C)NCCCC=O 2230a_100000707721_200011292268 [0,1,0,0,0,0|1,0,2]=4 5391 B9R0.46 C#CC(C)NCCCCC 2230a_100000707721_100000210326 [0,1,0,0,0,0|2,0,1]=4 5392 B9R0.46 C#CC(C)NCCCCC 34a_100000707721_100000718602 [0,1,0,0,0,0|2,0,1]=4 5393 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [0,1,0,0,0,0|2,0,1]=4 5394 B9R0.46 C#CC(C)SCCCC=O 62a_200000035995_200011292268 [0,1,0,0,0,0|1,0,2]=4 5395 B9R0.46 C#CC(C)SCCCCC 62a_200000035995_100000210326 [0,1,0,0,0,0|2,0,1]=4 5396 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|1,0,2]=4 5397 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|1,0,2]=4 5398 B9R0.46 C#CCCCCN(C)CC 2230a_100000225621_100010269958 [0,1,0,0,0,0|2,0,1]=4 5399 B9R0.46 C#CCCCCN(C)CC 269982a_100000225621_100010269958 [0,1,0,0,0,0|2,0,1]=4 5400 B9R0.46 C#CCCCNC(C)CC 2230a_100000209981_100000731252 [0,1,0,0,0,0|2,0,1]=4 5401 B9R0.46 C#CCCCNC(C)CC 34a_100000718082_100011215416 [0,1,0,0,0,0|2,0,1]=4 5402 B9R0.46 C#CCCCOC(C)CC 34a_100000215630_100011215416 [0,1,0,0,0,0|2,0,1]=4 5403 B9R0.46 C#CCCCOC(C)CC 7a_100000210228_100011215417 [0,1,0,0,0,0|2,0,1]=4 5404 B9R0.46 C#CCCCOC(C)CC 7a_100000215630_100000758301 [0,1,0,0,0,0|2,0,1]=4 5405 B9R0.46 C#CCCCSC(C)CC 62a_100000758301_100011215417 [0,1,0,0,0,0|2,0,1]=4 5406 B9R0.46 C#CCCCSC(C)CC 62a_100011215417_100000758301 [0,1,0,0,0,0|2,0,1]=4 5407 B9R0.46 C#CCCNCC(C)CC 2230a_100020588543_100000688953 [0,1,0,0,0,0|2,0,1]=4 5408 B9R0.46 C#CCCNCC(C)CC 34a_100000755551_100000748023 [0,1,0,0,0,0|2,0,1]=4 5409 B9R0.46 C#CCCNCC(O)CC 2230a_100011218483_100000688953 [0,1,0,0,0,0|2,0,1]=4 5410 B9R0.46 C#CCCNCC(O)CC 34a_100000755551_100011218378 [0,1,0,0,0,0|2,0,1]=4 5411 B9R0.46 C#CCCNC[C@@H](C)CC 34a_100000755551_100009816398 [0,1,0,0,0,0|2,0,1]=4 5412 B9R0.46 C#CCCOCC(C)CC 34a_100011215631_100000748023 [0,1,0,0,0,0|2,0,1]=4 5413 B9R0.46 C#CCCOCC(O)CC 34a_100011215631_100011218378 [0,1,0,0,0,0|2,0,1]=4 5414 B9R0.46 C#CCCOC[C@@H](C)CC 34a_100011215631_100009816398 [0,1,0,0,0,0|2,0,1]=4 5415 B9R0.46 C#CCCOC[C@@H](C)CC 7a_100009816381_100000688953 [0,1,0,0,0,0|2,0,1]=4 5416 B9R0.46 C#CCCSCC(C)CC 62a_100000688953_100000748023 [0,1,0,0,0,0|2,0,1]=4 5417 B9R0.46 C#CCCSCC(C)CC 62a_100000748023_100000688953 [0,1,0,0,0,0|2,0,1]=4 5418 B9R0.46 C#CCCSCC(O)CC 62a_100000688953_100011218378 [0,1,0,0,0,0|2,0,1]=4 5419 B9R0.46 C#CCCSCC(O)CC 62a_100011218378_100000688953 [0,1,0,0,0,0|2,0,1]=4 5420 B9R0.46 C#CCCSC[C@@H](C)CC 62a_100000688953_100009816398 [0,1,0,0,0,0|2,0,1]=4 5421 B9R0.46 C#CCCSC[C@@H](C)CC 62a_100009816398_100000688953 [0,1,0,0,0,0|2,0,1]=4 5422 B9R0.46 C#CCNCCC(C)CC 2230a_100020591266_100000038162 [0,1,0,0,0,0|2,0,1]=4 5423 B9R0.46 C#CCOCCC(C)CC 7a_100011215188_100000038162 [0,1,0,0,0,0|2,0,1]=4 5424 B9R0.46 C#C[C@@H](C)OCCCC=O 7a_100009815206_200011292268 [0,1,0,0,0,0|1,0,2]=4 5425 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [0,1,0,0,0,0|2,0,1]=4 5426 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [0,1,0,0,0,0|2,0,1]=4 5427 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [0,1,0,0,0,0|2,0,1]=4 5428 B9R0.46 C/C=C/COCC(C)CC 34a_100016270725_100000748023 [0,1,0,0,0,0|2,0,1]=4 5429 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [0,1,0,0,0,0|2,0,1]=4 5430 B9R0.46 C/C=C/COC[C@@H](C)CC 34a_100016270725_100009816398 [0,1,0,0,0,0|2,0,1]=4 5431 B9R0.46 C/C=C/COC[C@@H](C)CC 7a_100009816381_100102629194 [0,1,0,0,0,0|2,0,1]=4 5432 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [0,1,0,0,0,0|2,0,1]=4 5433 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [0,1,0,0,0,0|2,0,1]=4 5434 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [0,1,0,0,0,0|2,0,1]=4 5435 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [0,1,0,0,0,0|2,0,1]=4 5436 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [0,1,0,0,0,0|2,0,1]=4 5437 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [0,1,0,0,0,0|2,0,1]=4 5438 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|1,0,1]=3 5439 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,0,0,0,0|2,0,1]=4 5440 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|2,0,1]=4 5441 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|2,0,1]=4 5442 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,0,0,0,0|2,0,1]=4 5443 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,0,0,0,0|2,0,1]=4 5444 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|2,0,1]=4 5445 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|2,0,1]=4 5446 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|2,0,1]=4 5447 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,1,0,0,0,0|2,0,0]=3 5448 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,1,0,0,0,0|2,0,0]=3 5449 B9R0.46 C=CC(C)COCCCF 34a_100011215527_100011934791 [0,1,0,0,0,0|3,0,0]=4 5450 B9R0.46 C=CC(C)COCCCF 7a_100011215527_100011934791 [0,1,0,0,0,0|3,0,0]=4 5451 B9R0.46 C=CC(C)COCCCO 34a_100011215527_100000230001 [0,1,0,0,0,0|3,0,0]=4 5452 B9R0.46 C=CC(C)COCCCO 7a_100011215527_100011215043 [0,1,0,0,0,0|3,0,0]=4 5453 B9R0.46 C=CC(C)COCCOC 34a_100011215527_100011201679 [0,1,0,0,0,0|3,0,0]=4 5454 B9R0.46 C=CC(C)COCCOC 7a_100011215527_100000233755 [0,1,0,0,0,0|3,0,0]=4 5455 B9R0.46 C=CC(C)COCCSC 34a_100011215527_100000212216 [0,1,0,0,0,0|3,0,0]=4 5456 B9R0.46 C=CC(C)COCCSC 7a_100011215527_100000212216 [0,1,0,0,0,0|3,0,0]=4 5457 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,1,0,0,0,0|2,0,0]=3 5458 B9R0.46 C=CC(C)OCCCCF 34a_100000695699_100000729493 [0,1,0,0,0,0|3,0,0]=4 5459 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [0,1,0,0,0,0|3,0,0]=4 5460 B9R0.46 C=CC(C)OCCCOC 34a_100000695699_100000740836 [0,1,0,0,0,0|3,0,0]=4 5461 B9R0.46 C=CC(C)OCCOCC 34a_100000695699_100000210147 [0,1,0,0,0,0|3,0,0]=4 5462 B9R0.46 C=CC(C)OCCSCC 34a_100000695699_100000757381 [0,1,0,0,0,0|3,0,0]=4 5463 B9R0.46 C=CC(C)SCCCC=O 62a_100011215867_200011292268 [0,1,0,0,0,0|1,0,2]=4 5464 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,1,0,0,0,0|2,0,0]=3 5465 B9R0.46 C=CC(C)SCCCCF 62a_100011215867_100000729493 [0,1,0,0,0,0|3,0,0]=4 5466 B9R0.46 C=CC(C)SCCCCO 62a_100011215867_100000210776 [0,1,0,0,0,0|3,0,0]=4 5467 B9R0.46 C=CC(C)SCCCOC 62a_100011215867_100000709357 [0,1,0,0,0,0|3,0,0]=4 5468 B9R0.46 C=CC(C)SCCOCC 62a_100011215867_100011215890 [0,1,0,0,0,0|3,0,0]=4 5469 B9R0.46 C=CC(C)SCCSCC 62a_100011215867_100000757381 [0,1,0,0,0,0|3,0,0]=4 5470 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,1,0,0,0,0|2,0,0]=3 5471 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,1,0,0,0,0|2,0,0]=3 5472 B9R0.46 C=CC(O)CNCCCF 2230a_100015189416_100000730141 [0,1,0,0,0,0|3,0,0]=4 5473 B9R0.46 C=CC(O)CNCCCF 34a_100015189416_100000730141 [0,1,0,0,0,0|3,0,0]=4 5474 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [0,1,0,0,0,0|3,0,0]=4 5475 B9R0.46 C=CC(O)CNCCSC 2230a_100020590264_100000730141 [0,1,0,0,0,0|3,0,0]=4 5476 B9R0.46 C=CC(O)COCCCBr 34a_100011217188_100000730141 [0,1,0,0,0,0|3,0,0]=4 5477 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,1,0,0,0,0|2,0,0]=3 5478 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,1,0,0,0,0|2,0,0]=3 5479 B9R0.46 C=CC(O)COCCCCl 34a_100000230001_100000730141 [0,1,0,0,0,0|3,0,0]=4 5480 B9R0.46 C=CC(O)COCCCF 34a_100000759539_100000730141 [0,1,0,0,0,0|3,0,0]=4 5481 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [0,1,0,0,0,0|3,0,0]=4 5482 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [0,1,0,0,0,0|3,0,0]=4 5483 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [0,1,0,0,0,0|3,0,0]=4 5484 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [0,1,0,0,0,0|3,0,0]=4 5485 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,1,0,0,0,0|2,0,0]=3 5486 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,1,0,0,0,0|2,0,0]=3 5487 B9R0.46 C=CC(O)CSCCCF 62a_100000730141_100011934791 [0,1,0,0,0,0|3,0,0]=4 5488 B9R0.46 C=CC(O)CSCCCF 62a_100011934791_100000730141 [0,1,0,0,0,0|3,0,0]=4 5489 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,1,0,0,0,0|3,0,0]=4 5490 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,1,0,0,0,0|3,0,0]=4 5491 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [0,1,0,0,0,0|3,0,0]=4 5492 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [0,1,0,0,0,0|3,0,0]=4 5493 B9R0.46 C=CC(O)CSCCSC 62a_100000212216_100000730141 [0,1,0,0,0,0|3,0,0]=4 5494 B9R0.46 C=CC(O)CSCCSC 62a_100000730141_100000751147 [0,1,0,0,0,0|3,0,0]=4 5495 B9R0.46 C=CC(O)CSCOCC 62a_100000730141_100000739092 [0,1,0,0,0,0|3,0,0]=4 5496 B9R0.46 C=CC(O)CSCOCC 62a_100000739092_100000730141 [0,1,0,0,0,0|3,0,0]=4 5497 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|1,0,1]=3 5498 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|1,0,1]=3 5499 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,1,0,0,0,0|2,0,1]=4 5500 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|2,0,1]=4 5501 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,0,0,0,0|2,0,1]=4 5502 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 5503 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 5504 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,0,0,0,0|2,0,1]=4 5505 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [0,1,0,0,0,0|2,0,0]=3 5506 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [0,1,0,0,0,0|2,0,0]=3 5507 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [0,1,0,0,0,0|2,0,0]=3 5508 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [0,1,0,0,0,0|2,0,0]=3 5509 B9R0.46 C=CCCCCN(C)CF 269982a_100012000471_100015361967 [0,1,0,0,0,0|3,0,0]=4 5510 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 5511 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 5512 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 5513 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,1,0,0,0,0|2,0,1]=4 5514 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [0,1,0,0,0,0|2,0,0]=3 5515 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [0,1,0,0,0,0|2,0,0]=3 5516 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [0,1,0,0,0,0|2,0,0]=3 5517 B9R0.46 C=CCCCNC(C)CO 2230a_100000700776_100012180447 [0,1,0,0,0,0|3,0,0]=4 5518 B9R0.46 C=CCCCNC(C)CO 34a_100000700776_100012180447 [0,1,0,0,0,0|3,0,0]=4 5519 B9R0.46 C=CCCCN[C@H](C)CO 2230a_100000737577_100011713584 [0,1,0,0,0,0|3,0,0]=4 5520 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [0,1,0,0,0,0|2,0,0]=3 5521 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [0,1,0,0,0,0|2,0,0]=3 5522 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [0,1,0,0,0,0|2,0,0]=3 5523 B9R0.46 C=CCCCOC(C)CF 34a_100016041109_100000757094 [0,1,0,0,0,0|3,0,0]=4 5524 B9R0.46 C=CCCCOC(C)CF 7a_100016041109_100000757094 [0,1,0,0,0,0|3,0,0]=4 5525 B9R0.46 C=CCCCOC(C)CN 34a_100000210904_100000757094 [0,1,0,0,0,0|3,0,0]=4 5526 B9R0.46 C=CCCCOC(C)CO 34a_100000758997_100012180447 [0,1,0,0,0,0|3,0,0]=4 5527 B9R0.46 C=CCCCOC(C)CO 7a_100000758997_100012180447 [0,1,0,0,0,0|3,0,0]=4 5528 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [0,1,0,0,0,0|2,0,0]=3 5529 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [0,1,0,0,0,0|2,0,0]=3 5530 B9R0.46 C=CCCCSC(C)CO 62a_100012180447_100000757094 [0,1,0,0,0,0|3,0,0]=4 5531 B9R0.46 C=CCCCSC(C)OC 62a_100009879195_100000757094 [0,1,0,0,0,0|3,0,0]=4 5532 B9R0.46 C=CCCCSC(C)OC 62a_100011713584_100009879195 [0,1,0,0,0,0|3,0,0]=4 5533 B9R0.46 C=CCCCS[C@H](C)CO 62a_100011713584_100016084084 [0,1,0,0,0,0|3,0,0]=4 5534 B9R0.46 C=CCCCS[C@H](C)CO 62a_100016084084_100000757094 [0,1,0,0,0,0|3,0,0]=4 5535 B9R0.46 C=CCCNCC(C)CC 2230a_100015191253_100000748023 [0,1,0,0,0,0|2,0,0]=3 5536 B9R0.46 C=CCCNCC(C)CC 2230a_100020588543_100000754431 [0,1,0,0,0,0|2,0,0]=3 5537 B9R0.46 C=CCCNCC(C)CC 270004a_100015191253_100000243153 [0,1,0,0,0,0|2,0,0]=3 5538 B9R0.46 C=CCCNCC(C)CO 34a_100000744482_100000754431 [0,1,0,0,0,0|3,0,0]=4 5539 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [0,1,0,0,0,0|2,0,0]=3 5540 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [0,1,0,0,0,0|2,0,0]=3 5541 B9R0.46 C=CCCNCC(O)CO 2230a_100015191253_100011219619 [0,1,0,0,0,0|3,0,0]=4 5542 B9R0.46 C=CCCNC[C@@H](C)CC 2230a_100015191253_100009816398 [0,1,0,0,0,0|2,0,0]=3 5543 B9R0.46 C=CCCNC[C@@H](C)CO 2230a_100015191253_100000059175 [0,1,0,0,0,0|3,0,0]=4 5544 B9R0.46 C=CCCNC[C@@H](C)OC 2230a_100020591295_100000754431 [0,1,0,0,0,0|3,0,0]=4 5545 B9R0.46 C=CCCNC[C@@H](F)CO 34a_100015665980_100000754431 [0,1,0,0,0,0|3,0,0]=4 5546 B9R0.46 C=CCCNC[C@@H](O)CF 2230a_100015191253_100015614560 [0,1,0,0,0,0|3,0,0]=4 5547 B9R0.46 C=CCCNC[C@@H](O)CO 2230a_100015191253_100009815848 [0,1,0,0,0,0|3,0,0]=4 5548 B9R0.46 C=CCCNC[C@H](O)CO 2230a_100020644852_100000754431 [0,1,0,0,0,0|3,0,0]=4 5549 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,1,0,0,0,0|2,0,1]=4 5550 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [0,1,0,0,0,0|2,0,0]=3 5551 B9R0.46 C=CCCOCC(C)CN 34a_100000744482_100000754431 [0,1,0,0,0,0|3,0,0]=4 5552 B9R0.46 C=CCCOCC(C)OC 34a_100000690652_100000754431 [0,1,0,0,0,0|3,0,0]=4 5553 B9R0.46 C=CCCOCC(Cl)CCl 34a_100000033668_100000754431 [0,1,0,0,0,0|3,0,0]=4 5554 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [0,1,0,0,0,0|2,0,0]=3 5555 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [0,1,0,0,0,0|3,0,0]=4 5556 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [0,1,0,0,0,0|2,0,0]=3 5557 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [0,1,0,0,0,0|2,0,0]=3 5558 B9R0.46 C=CCCOC[C@@H](C)CO 34a_100011205117_100000059175 [0,1,0,0,0,0|3,0,0]=4 5559 B9R0.46 C=CCCOC[C@@H](O)CF 34a_100011205117_100015614560 [0,1,0,0,0,0|3,0,0]=4 5560 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [0,1,0,0,0,0|3,0,0]=4 5561 B9R0.46 C=CCCOC[C@H](F)CN 34a_100015665980_100000754431 [0,1,0,0,0,0|3,0,0]=4 5562 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,1,0,0,0,0|2,0,1]=4 5563 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,1,0,0,0,0|2,0,1]=4 5564 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [0,1,0,0,0,0|2,0,0]=3 5565 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [0,1,0,0,0,0|2,0,0]=3 5566 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [0,1,0,0,0,0|2,0,0]=3 5567 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [0,1,0,0,0,0|2,0,0]=3 5568 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,1,0,0,0,0|3,0,0]=4 5569 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,1,0,0,0,0|3,0,0]=4 5570 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [0,1,0,0,0,0|2,0,0]=3 5571 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [0,1,0,0,0,0|2,0,0]=3 5572 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000059175_100000754431 [0,1,0,0,0,0|3,0,0]=4 5573 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000754431_100000059175 [0,1,0,0,0,0|3,0,0]=4 5574 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100000754431_100015614560 [0,1,0,0,0,0|3,0,0]=4 5575 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100015614560_100000754431 [0,1,0,0,0,0|3,0,0]=4 5576 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,1,0,0,0,0|3,0,0]=4 5577 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,1,0,0,0,0|3,0,0]=4 5578 B9R0.46 C=CCNCCC(C)CC 2230a_100020591266_100000210623 [0,1,0,0,0,0|2,0,0]=3 5579 B9R0.46 C=CCNCCC(C)CO 2230a_106354213184_100000210623 [0,1,0,0,0,0|3,0,0]=4 5580 B9R0.46 C=CCNCCC(C)CO 34a_106354213184_100015514636 [0,1,0,0,0,0|3,0,0]=4 5581 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,1,0,0,0,0|2,0,1]=4 5582 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [0,1,0,0,0,0|2,0,0]=3 5583 B9R0.46 C=CCOCCC(C)OC 7a_100000764861_100015514636 [0,1,0,0,0,0|3,0,0]=4 5584 B9R0.46 C=COCCNC(C)CC 2230a_100000209981_100000039644 [0,1,0,0,0,0|3,0,0]=4 5585 B9R0.46 C=COCCOC(C)CC 34a_100000033082_100011215416 [0,1,0,0,0,0|3,0,0]=4 5586 B9R0.46 C=COCCOC(C)CC 7a_100000210228_100000039644 [0,1,0,0,0,0|3,0,0]=4 5587 B9R0.46 C=COCCSC(C)CC 62a_100000039644_100000758301 [0,1,0,0,0,0|3,0,0]=4 5588 B9R0.46 C=COCCSC(C)CC 62a_100000758301_100000039644 [0,1,0,0,0,0|3,0,0]=4 5589 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|2,0,0]=3 5590 B9R0.46 C=C[C@H](N)COCCCF 34a_100016989147_100011934791 [0,1,0,0,0,0|3,0,0]=4 5591 B9R0.46 C=C[C@H](N)COCCCO 34a_100016989147_100000230001 [0,1,0,0,0,0|3,0,0]=4 5592 B9R0.46 C=C[C@H](N)COCCOC 34a_100016989147_100011201679 [0,1,0,0,0,0|3,0,0]=4 5593 B9R0.46 C=C[C@H](N)COCCSC 34a_100016989147_100000212216 [0,1,0,0,0,0|3,0,0]=4 5594 B9R0.46 CC(C#N)NCCCC=O 2230a_100000737613_200011292268 [0,1,0,0,0,0|2,0,1]=4 5595 B9R0.46 CC(C#N)SCCCC=O 62a_100000703298_200011292268 [0,1,0,0,0,0|2,0,1]=4 5596 B9R0.46 CC(C#N)SCCCC=O 62a_200011292268_100000703298 [0,1,0,0,0,0|2,0,1]=4 5597 B9R0.46 CC(CF)OCCCC=O 7a_100016041109_200011292268 [0,1,0,0,0,0|2,0,0]=3 5598 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [0,1,0,0,0,0|2,0,0]=3 5599 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [0,1,0,0,0,0|2,0,0]=3 5600 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [0,1,0,0,0,0|2,0,0]=3 5601 B9R0.46 CC=CCNCC(C)CC 2230a_100020588543_100000070051 [0,1,0,0,0,0|2,0,1]=4 5602 B9R0.46 CC=CCNCC(O)CC 2230a_100011218483_100000070051 [0,1,0,0,0,0|2,0,1]=4 5603 B9R0.46 CC=CCOC[C@@H](C)CC 7a_100009816381_100000070051 [0,1,0,0,0,0|2,0,1]=4 5604 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [0,1,0,0,0,0|2,0,1]=4 5605 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [0,1,0,0,0,0|2,0,1]=4 5606 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [0,1,0,0,0,0|2,0,1]=4 5607 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [0,1,0,0,0,0|2,0,1]=4 5608 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [0,1,0,0,0,0|2,0,1]=4 5609 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [0,1,0,0,0,0|2,0,1]=4 5610 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|1,0,2]=4 5611 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|1,0,2]=4 5612 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|0,0,3]=4 5613 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|0,0,3]=4 5614 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|2,0,1]=4 5615 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,1,0,0,0,0|2,0,1]=4 5616 B9R0.46 CCC(C)CCNCC#N 2230a_100020591266_100011215382 [0,1,0,0,0,0|2,0,1]=4 5617 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [0,1,0,0,0,0|1,0,0]=2 5618 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [0,1,0,0,0,0|2,0,1]=4 5619 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,1,0,0,0,0|1,0,2]=4 5620 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [0,1,0,0,0,0|3,0,0]=4 5621 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [0,1,0,0,0,0|3,0,0]=4 5622 B9R0.46 CCC(C)CCOCC#N 7a_100011215188_100011215382 [0,1,0,0,0,0|2,0,1]=4 5623 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [0,1,0,0,0,0|1,0,0]=2 5624 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,1,0,0,0,0|2,0,1]=4 5625 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,1,0,0,0,0|1,0,2]=4 5626 B9R0.46 CCC(C)CNCCC#N 2230a_100020588543_100011215226 [0,1,0,0,0,0|2,0,1]=4 5627 B9R0.46 CCC(C)CNCCC#N 270004a_100000720768_100000243153 [0,1,0,0,0,0|2,0,1]=4 5628 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,1,0,0,0,0|2,0,1]=4 5629 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,1,0,0,0,0|2,0,1]=4 5630 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,1,0,0,0,0|2,0,1]=4 5631 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,1,0,0,0,0|2,0,1]=4 5632 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,1,0,0,0,0|1,0,2]=4 5633 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,1,0,0,0,0|1,0,2]=4 5634 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,1,0,0,0,0|3,0,0]=4 5635 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,1,0,0,0,0|3,0,0]=4 5636 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,1,0,0,0,0|3,0,0]=4 5637 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,1,0,0,0,0|3,0,0]=4 5638 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,1,0,0,0,0|3,0,0]=4 5639 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,1,0,0,0,0|3,0,0]=4 5640 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,1,0,0,0,0|2,0,1]=4 5641 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,1,0,0,0,0|2,0,1]=4 5642 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,1,0,0,0,0|2,0,1]=4 5643 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,1,0,0,0,0|2,0,1]=4 5644 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,1,0,0,0,0|3,0,0]=4 5645 B9R0.46 CCC(C)COCCON 34a_100000700252_100000748023 [0,1,0,0,0,0|3,0,0]=4 5646 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,1,0,0,0,0|3,0,0]=4 5647 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,1,0,0,0,0|3,0,0]=4 5648 B9R0.46 CCC(C)CSCCC#N 62a_100000748023_100011215226 [0,1,0,0,0,0|2,0,1]=4 5649 B9R0.46 CCC(C)CSCCC#N 62a_100011215226_100000748023 [0,1,0,0,0,0|2,0,1]=4 5650 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [0,1,0,0,0,0|2,0,1]=4 5651 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [0,1,0,0,0,0|2,0,1]=4 5652 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,1,0,0,0,0|1,0,2]=4 5653 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,1,0,0,0,0|1,0,2]=4 5654 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,1,0,0,0,0|3,0,0]=4 5655 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,1,0,0,0,0|3,0,0]=4 5656 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,1,0,0,0,0|3,0,0]=4 5657 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,1,0,0,0,0|3,0,0]=4 5658 B9R0.46 CCC(C)NCCCC#N 2230a_100000209981_100000687738 [0,1,0,0,0,0|2,0,1]=4 5659 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [0,1,0,0,0,0|1,0,0]=2 5660 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [0,1,0,0,0,0|2,0,1]=4 5661 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,1,0,0,0,0|1,0,2]=4 5662 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,1,0,0,0,0|1,0,2]=4 5663 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,1,0,0,0,0|1,0,2]=4 5664 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,1,0,0,0,0|3,0,0]=4 5665 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,1,0,0,0,0|3,0,0]=4 5666 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,1,0,0,0,0|3,0,0]=4 5667 B9R0.46 CCC(C)OCCCC#N 7a_100000210228_100000687738 [0,1,0,0,0,0|2,0,1]=4 5668 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [0,1,0,0,0,0|1,0,0]=2 5669 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,1,0,0,0,0|2,0,1]=4 5670 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,1,0,0,0,0|2,0,1]=4 5671 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,1,0,0,0,0|2,0,1]=4 5672 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,1,0,0,0,0|2,0,1]=4 5673 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,1,0,0,0,0|2,0,1]=4 5674 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,1,0,0,0,0|2,0,1]=4 5675 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,1,0,0,0,0|2,0,1]=4 5676 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,1,0,0,0,0|2,0,1]=4 5677 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,1,0,0,0,0|1,0,2]=4 5678 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,1,0,0,0,0|3,0,0]=4 5679 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,1,0,0,0,0|3,0,0]=4 5680 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,1,0,0,0,0|3,0,0]=4 5681 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,1,0,0,0,0|3,0,0]=4 5682 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,1,0,0,0,0|3,0,0]=4 5683 B9R0.46 CCC(C)SCCCC#N 62a_100000687738_100000758301 [0,1,0,0,0,0|2,0,1]=4 5684 B9R0.46 CCC(C)SCCCC#N 62a_100000758301_100000687738 [0,1,0,0,0,0|2,0,1]=4 5685 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [0,1,0,0,0,0|1,0,0]=2 5686 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [0,1,0,0,0,0|1,0,0]=2 5687 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [0,1,0,0,0,0|2,0,1]=4 5688 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [0,1,0,0,0,0|2,0,1]=4 5689 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,1,0,0,0,0|1,0,2]=4 5690 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,1,0,0,0,0|1,0,2]=4 5691 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,1,0,0,0,0|3,0,0]=4 5692 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,1,0,0,0,0|3,0,0]=4 5693 B9R0.46 CCC(O)CNCCC#N 2230a_100011218483_100011215226 [0,1,0,0,0,0|2,0,1]=4 5694 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,1,0,0,0,0|2,0,1]=4 5695 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,1,0,0,0,0|2,0,1]=4 5696 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,1,0,0,0,0|2,0,1]=4 5697 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,1,0,0,0,0|1,0,2]=4 5698 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,1,0,0,0,0|3,0,0]=4 5699 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,1,0,0,0,0|3,0,0]=4 5700 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,1,0,0,0,0|3,0,0]=4 5701 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,1,0,0,0,0|3,0,0]=4 5702 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,1,0,0,0,0|2,0,1]=4 5703 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,1,0,0,0,0|2,0,1]=4 5704 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,1,0,0,0,0|2,0,1]=4 5705 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,1,0,0,0,0|2,0,1]=4 5706 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,1,0,0,0,0|3,0,0]=4 5707 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [0,1,0,0,0,0|3,0,0]=4 5708 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,1,0,0,0,0|3,0,0]=4 5709 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,1,0,0,0,0|3,0,0]=4 5710 B9R0.46 CCC(O)CSCCC#N 62a_100011215226_100011218378 [0,1,0,0,0,0|2,0,1]=4 5711 B9R0.46 CCC(O)CSCCC#N 62a_100011218378_100011215226 [0,1,0,0,0,0|2,0,1]=4 5712 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,1,0,0,0,0|2,0,1]=4 5713 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,1,0,0,0,0|2,0,1]=4 5714 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,1,0,0,0,0|1,0,2]=4 5715 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,1,0,0,0,0|1,0,2]=4 5716 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,1,0,0,0,0|3,0,0]=4 5717 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,1,0,0,0,0|3,0,0]=4 5718 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,1,0,0,0,0|3,0,0]=4 5719 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,1,0,0,0,0|3,0,0]=4 5720 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|1,0,2]=4 5721 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|1,0,2]=4 5722 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|1,0,2]=4 5723 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|0,0,3]=4 5724 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|2,0,1]=4 5725 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|2,0,1]=4 5726 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|2,0,1]=4 5727 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|2,0,1]=4 5728 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|2,0,0]=3 5729 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|2,0,0]=3 5730 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|2,0,0]=3 5731 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|2,0,0]=3 5732 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|2,0,0]=3 5733 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|2,0,0]=3 5734 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|2,0,0]=3 5735 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|2,0,0]=3 5736 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|2,0,0]=3 5737 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|2,0,0]=3 5738 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|2,0,0]=3 5739 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|2,0,0]=3 5740 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|2,0,0]=3 5741 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|2,0,0]=3 5742 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|2,0,0]=3 5743 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|2,0,0]=3 5744 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|2,0,0]=3 5745 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,0,0,0,0|2,0,1]=4 5746 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,0,0,0,0|2,0,1]=4 5747 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,0,0,0,0|2,0,1]=4 5748 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,0,0,0,0|2,0,1]=4 5749 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,1,0,0,0,0|2,0,1]=4 5750 B9R0.46 CCCCCNC(C)C#N 2230a_100000209983_100000184139 [0,1,0,0,0,0|2,0,1]=4 5751 B9R0.46 CCCCCNC(C)C#N 2230a_100000737613_100000210326 [0,1,0,0,0,0|2,0,1]=4 5752 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,1,0,0,0,0|2,0,1]=4 5753 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,1,0,0,0,0|2,0,1]=4 5754 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,1,0,0,0,0|1,0,2]=4 5755 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,1,0,0,0,0|1,0,2]=4 5756 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [0,1,0,0,0,0|2,0,1]=4 5757 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [0,1,0,0,0,0|2,0,1]=4 5758 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,0,0,0,0|2,0,1]=4 5759 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,0,0,0,0|2,0,1]=4 5760 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,0,0,0,0|2,0,1]=4 5761 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,1,0,0,0,0|2,0,1]=4 5762 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,1,0,0,0,0|2,0,1]=4 5763 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,1,0,0,0,0|2,0,1]=4 5764 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,1,0,0,0,0|1,0,2]=4 5765 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,1,0,0,0,0|1,0,2]=4 5766 B9R0.46 CCCCCSC(C)C#N 62a_100000210326_100000703298 [0,1,0,0,0,0|2,0,1]=4 5767 B9R0.46 CCCCCSC(C)C#N 62a_100000703298_100000210326 [0,1,0,0,0,0|2,0,1]=4 5768 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,1,0,0,0,0|2,0,1]=4 5769 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,1,0,0,0,0|2,0,1]=4 5770 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,1,0,0,0,0|1,0,2]=4 5771 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|3,0,0]=4 5772 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|3,0,0]=4 5773 B9R0.46 CCCCCSC(F)C#N 62a_100000210326_200000117898 [0,1,0,0,0,0|2,0,1]=4 5774 B9R0.46 CCCCCSC(F)C#N 62a_200000117898_100000210326 [0,1,0,0,0,0|2,0,1]=4 5775 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,1,0,0,0,0|1,0,2]=4 5776 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,1,0,0,0,0|1,0,2]=4 5777 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,1,0,0,0,0|2,0,1]=4 5778 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,1,0,0,0,0|2,0,1]=4 5779 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,1,0,0,0,0|2,0,1]=4 5780 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,1,0,0,0,0|2,0,1]=4 5781 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,1,0,0,0,0|1,0,2]=4 5782 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,0,0,0,0|2,0,1]=4 5783 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,0,0,0,0|2,0,1]=4 5784 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,0,0,0,0|2,0,1]=4 5785 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,0,0,0,0|1,0,2]=4 5786 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,0,0,0,0|1,0,2]=4 5787 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,1,0,0,0,0|2,0,1]=4 5788 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,1,0,0,0,0|2,0,1]=4 5789 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,1,0,0,0,0|1,0,2]=4 5790 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,1,0,0,0,0|1,0,2]=4 5791 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|3,0,0]=4 5792 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,1,0,0,0,0|1,0,2]=4 5793 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,1,0,0,0,0|2,0,1]=4 5794 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,1,0,0,0,0|2,0,1]=4 5795 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,0,0,0,0|1,0,2]=4 5796 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,0,0,0,0|1,0,2]=4 5797 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,0,0,0,0|1,0,2]=4 5798 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,1,0,0,0,0|2,0,1]=4 5799 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,1,0,0,0,0|2,0,1]=4 5800 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,1]=4 5801 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|3,0,0]=4 5802 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|3,0,0]=4 5803 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|3,0,0]=4 5804 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|3,0,0]=4 5805 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|3,0,0]=4 5806 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,1,0,0,0,0|2,0,1]=4 5807 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,0,0,0,0|2,0,1]=4 5808 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,0,0,0,0|2,0,1]=4 5809 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,0,0,0,0|1,0,2]=4 5810 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,0,0,0,0|1,0,2]=4 5811 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,1,0,0,0,0|2,0,1]=4 5812 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,1,0,0,0,0|2,0,1]=4 5813 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,1,0,0,0,0|2,0,1]=4 5814 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,0,0,0,0|1,0,2]=4 5815 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,0,0,0,0|1,0,2]=4 5816 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,1,0,0,0,0|2,0,1]=4 5817 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,1,0,0,0,0|2,0,1]=4 5818 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,0,0,0,0|1,0,2]=4 5819 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,0,0,0,0|1,0,2]=4 5820 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,1]=4 5821 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,1,0,0,0,0|2,0,1]=4 5822 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,1,0,0,0,0|2,0,1]=4 5823 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,1,0,0,0,0|2,0,1]=4 5824 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,1,0,0,0,0|2,0,1]=4 5825 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,0,0,0,0|1,0,2]=4 5826 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,0,0,0,0|1,0,2]=4 5827 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,1,0,0,0,0|2,0,1]=4 5828 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,1,0,0,0,0|2,0,1]=4 5829 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,1,0,0,0,0|1,0,2]=4 5830 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,1,0,0,0,0|1,0,2]=4 5831 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,1,0,0,0,0|2,0,1]=4 5832 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,1,0,0,0,0|2,0,1]=4 5833 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,0,0,0,0|1,0,2]=4 5834 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,0,0,0,0|1,0,2]=4 5835 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,1,0,0,0,0|2,0,1]=4 5836 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,0,0,0,0|1,0,2]=4 5837 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,0,0,0,0|1,0,2]=4 5838 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,1,0,0,0,0|2,0,1]=4 5839 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|3,0,0]=4 5840 B9R0.46 CCN(C)CCCCC#N 2230a_100000225621_100000211819 [0,1,0,0,0,0|2,0,1]=4 5841 B9R0.46 CCN(C)CCCCC#N 269982a_100000225621_100011219923 [0,1,0,0,0,0|2,0,1]=4 5842 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [0,1,0,0,0,0|1,0,0]=2 5843 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [0,1,0,0,0,0|1,0,0]=2 5844 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [0,1,0,0,0,0|2,0,1]=4 5845 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [0,1,0,0,0,0|2,0,1]=4 5846 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,1,0,0,0,0|1,0,2]=4 5847 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,1,0,0,0,0|1,0,2]=4 5848 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,1,0,0,0,0|1,0,2]=4 5849 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,1,0,0,0,0|1,0,2]=4 5850 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 5851 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 5852 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,0,0,0,0|2,0,1]=4 5853 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,1,0,0,0,0|2,0,1]=4 5854 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,1,0,0,0,0|2,0,1]=4 5855 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,1,0,0,0,0|2,0,1]=4 5856 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,1,0,0,0,0|3,0,0]=4 5857 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,1,0,0,0,0|3,0,0]=4 5858 B9R0.46 CC[C@H](C)COCCC#N 7a_100009816381_100000184422 [0,1,0,0,0,0|2,0,1]=4 5859 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [0,1,0,0,0,0|2,0,1]=4 5860 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [0,1,0,0,0,0|2,0,1]=4 5861 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [0,1,0,0,0,0|2,0,1]=4 5862 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [0,1,0,0,0,0|2,0,1]=4 5863 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [0,1,0,0,0,0|2,0,1]=4 5864 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,1,0,0,0,0|1,0,2]=4 5865 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [0,1,0,0,0,0|3,0,0]=4 5866 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [0,1,0,0,0,0|3,0,0]=4 5867 B9R0.46 CC[C@H](C)COCCON 34a_100000700252_100009816398 [0,1,0,0,0,0|3,0,0]=4 5868 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,1,0,0,0,0|3,0,0]=4 5869 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,1,0,0,0,0|3,0,0]=4 5870 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,1,0,0,0,0|3,0,0]=4 5871 B9R0.46 CC[C@H](C)CSCCC#N 62a_100009816398_100011215226 [0,1,0,0,0,0|2,0,1]=4 5872 B9R0.46 CC[C@H](C)CSCCC#N 62a_100011215226_100009816398 [0,1,0,0,0,0|2,0,1]=4 5873 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [0,1,0,0,0,0|2,0,1]=4 5874 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [0,1,0,0,0,0|2,0,1]=4 5875 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,1,0,0,0,0|1,0,2]=4 5876 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,1,0,0,0,0|1,0,2]=4 5877 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,1,0,0,0,0|3,0,0]=4 5878 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,1,0,0,0,0|3,0,0]=4 5879 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,1,0,0,0,0|3,0,0]=4 5880 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,1,0,0,0,0|3,0,0]=4 5881 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,1,0,0,0,0|2,0,1]=4 5882 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,1,0,0,0,0|2,0,1]=4 5883 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,1,0,0,0,0|2,0,1]=4 5884 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,1,0,0,0,0|2,0,1]=4 5885 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,1,0,0,0,0|2,0,1]=4 5886 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,1,0,0,0,0|2,0,1]=4 5887 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,1,0,0,0,0|2,0,1]=4 5888 B9R0.46 COC(C)CCOCC=O 7a_100000764861_200015260668 [0,1,0,0,0,0|2,0,0]=3 5889 B9R0.46 COC(C)SCCCC=O 62a_100009879195_200011292268 [0,1,0,0,0,0|2,0,0]=3 5890 B9R0.46 COC(C)SCCCC=O 62a_200011292268_100009879195 [0,1,0,0,0,0|2,0,0]=3 5891 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [0,1,0,0,0,0|2,0,0]=3 5892 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [0,1,0,0,0,0|2,0,0]=3 5893 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [0,1,0,0,0,0|2,0,0]=3 5894 B9R0.46 N#CC(F)SCCCC=O 62a_200000117898_200011292268 [0,1,0,0,0,0|2,0,1]=4 5895 B9R0.46 N#CC(F)SCCCC=O 62a_200011292268_200000117898 [0,1,0,0,0,0|2,0,1]=4 5896 B9R1.4 CCN1CCC1COC 2230a_100015195929_100000210202 [0,0,0,1,0,0|3,0,0]=4 5897 B9R1.4 CCN1CCC1COC 269982a_100015195929_100000204670 [0,0,0,1,0,0|3,0,0]=4 5898 B9R1.4 CCN1CCC1COC 34a_100015195929_100000210202 [0,0,0,1,0,0|3,0,0]=4 5899 B9R1.8 C=CCN1CCCOC1 2230a_100000131196_100000210623 [0,0,0,1,0,0|3,0,0]=4 5900 B9R1.8 C=CCN1CCCOC1 269982a_100000131196_100000210623 [0,0,0,1,0,0|3,0,0]=4 5901 B9R1.8 C=CCN1CCCOC1 34a_100000131196_100015514636 [0,0,0,1,0,0|3,0,0]=4 5902 B9R1.8 C=CCN1CCOCC1 2230a_100015191051_100000210623 [0,0,0,1,0,0|3,0,0]=4 5903 B9R1.8 C=CCN1CCOCC1 269982a_100015191051_100000210623 [0,0,0,1,0,0|3,0,0]=4 5904 B9R1.8 C=CCN1CCOCC1 34a_100015191051_100015514636 [0,0,0,1,0,0|3,0,0]=4 5905 B9R1.8 C=CCN1CCSCC1 2230a_100000737611_100000210623 [0,0,0,1,0,0|3,0,0]=4 5906 B9R1.8 C=CCN1CCSCC1 269982a_100000737611_100000210623 [0,0,0,1,0,0|3,0,0]=4 5907 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [0,0,0,1,0,0|2,0,1]=4 5908 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [0,0,0,1,0,0|2,0,1]=4 5909 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [0,0,0,1,0,0|2,0,1]=4 5910 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [0,0,0,1,0,0|3,0,0]=4 5911 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [0,0,0,1,0,0|3,0,0]=4 5912 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [0,0,0,1,0,0|3,0,0]=4 5913 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,0,0,1,0,0|2,0,0]=3 5914 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,0,0,1,0,0|2,0,1]=4 5915 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,0,0,1,0,0|2,0,1]=4 5916 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,0,0,1,0,0|2,0,1]=4 5917 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,0,0,1,0,0|3,0,0]=4 5918 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,0,0,1,0,0|3,0,0]=4 5919 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,0,0,1,0,0|3,0,0]=4 5920 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [0,0,0,1,0,0|3,0,0]=4 5921 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,0,0,1,0,0|2,0,0]=3 5922 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [0,0,0,1,0,0|2,0,1]=4 5923 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,0,0,1,0,0|2,0,1]=4 5924 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,0,0,1,0,0|2,0,1]=4 5925 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,0,0,1,0,0|2,0,1]=4 5926 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,0,0,1,0,0|1,0,2]=4 5927 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,0,0,1,0,0|3,0,0]=4 5928 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,0,0,1,0,0|3,0,0]=4 5929 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,0,0,1,0,0|3,0,0]=4 5930 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [0,0,0,1,0,0|2,0,0]=3 5931 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [0,0,0,1,0,0|2,0,0]=3 5932 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,0,0,1,0,0|2,0,1]=4 5933 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,0,0,1,0,0|2,0,1]=4 5934 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,0,0,1,0,0|3,0,0]=4 5935 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [0,0,0,1,0,0|2,0,1]=4 5936 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,0,0,1,0,0|2,0,0]=3 5937 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,0,0,1,0,0|2,0,0]=3 5938 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,0,0,1,0,0|2,0,0]=3 5939 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,0,0,1,0,0|2,0,0]=3 5940 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,0,0,1,0,0|2,0,0]=3 5941 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,0,0,1,0,0|2,0,0]=3 5942 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,0,0,1,0,0|1,0,2]=4 5943 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,0,0,1,0,0|1,0,2]=4 5944 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,0,0,1,0,0|1,0,2]=4 5945 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,0,0,1,0,0|1,0,2]=4 5946 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,0,0,1,0,0|1,0,2]=4 5947 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [0,0,0,1,0,0|3,0,0]=4 5948 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [0,0,0,1,0,0|3,0,0]=4 5949 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [0,0,0,1,0,0|3,0,0]=4 5950 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [0,0,0,1,0,0|3,0,0]=4 5951 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [0,0,0,1,0,0|3,0,0]=4 5952 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [0,0,0,1,0,0|3,0,0]=4 5953 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [0,0,0,1,0,0|3,0,0]=4 5954 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [0,0,0,1,0,0|3,0,0]=4 5955 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [0,0,0,1,0,0|3,0,0]=4 5956 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [0,0,0,1,0,0|3,0,0]=4 5957 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [0,0,0,1,0,0|3,0,0]=4 5958 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [0,0,0,1,0,0|3,0,0]=4 5959 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [0,0,0,1,0,0|3,0,0]=4 5960 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [0,0,0,1,0,0|3,0,0]=4 5961 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [0,0,0,1,0,0|3,0,0]=4 5962 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [0,0,0,1,0,0|2,0,1]=4 5963 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,0,0,1,0,0|1,0,2]=4 5964 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,0,0,1,0,0|2,0,0]=3 5965 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,0,0,1,0,0|2,0,0]=3 5966 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,0,0,1,0,0|2,0,0]=3 5967 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,0,0,1,0,0|2,0,1]=4 5968 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,0,0,1,0,0|1,0,2]=4 5969 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,0,0,1,0,0|1,0,2]=4 5970 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,0,0,1,0,0|1,0,2]=4 5971 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 5972 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,0,0,1,0,0|3,0,0]=4 5973 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,0,0,1,0,0|3,0,0]=4 5974 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,0,0,1,0,0|3,0,0]=4 5975 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,0,0,1,0,0|3,0,0]=4 5976 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,0,0,1,0,0|3,0,0]=4 5977 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,0,0,1,0,0|3,0,0]=4 5978 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,0,0,1,0,0|3,0,0]=4 5979 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,0,0,1,0,0|2,0,0]=3 5980 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,0,0,1,0,0|2,0,0]=3 5981 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,0,0,1,0,0|1,0,2]=4 5982 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,0,0,1,0,0|1,0,2]=4 5983 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,0,0,1,0,0|3,0,0]=4 5984 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,0,0,1,0,0|3,0,0]=4 5985 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [0,0,0,1,0,0|3,0,0]=4 5986 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [0,0,0,1,0,0|3,0,0]=4 5987 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,0,0,1,0,0|2,0,1]=4 5988 B9R1.8 FCOC1C=CCCC1 34a_100011215024_100015361967 [0,0,0,1,0,0|3,0,0]=4 5989 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,0,0,1,0,0|2,0,1]=4 5990 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,0,0,1,0,0|2,0,1]=4 5991 B9R1.8 FCSC1C=CCCC1 62a_100000751183_100015361967 [0,0,0,1,0,0|3,0,0]=4 5992 B9R1.8 FCSC1C=CCCC1 62a_100015361967_100000751183 [0,0,0,1,0,0|3,0,0]=4 5993 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,0,0,1,0,0|2,0,1]=4 5994 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,0,0,1,0,0|2,0,1]=4 5995 B9R1.8 O=CCN1CC=CCC1 2230a_100000698166_200015260668 [0,0,0,1,0,0|1,0,2]=4 5996 B9R1.8 O=CCN1CC=CCC1 269982a_100000698166_200015260668 [0,0,0,1,0,0|1,0,2]=4 5997 B9R1.8 O=CCN1CC=CCC1 34a_100000698166_200009817547 [0,0,0,1,0,0|1,0,2]=4 5998 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [0,0,0,1,0,0|2,0,0]=3 5999 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [0,0,0,1,0,0|2,0,0]=3 6000 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [0,0,0,1,0,0|2,0,0]=3 6001 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [0,0,0,1,0,0|2,0,0]=3 6002 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [0,0,0,1,0,0|2,0,0]=3 6003 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [0,0,0,1,0,0|2,0,0]=3 6004 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [0,0,0,1,0,0|2,0,0]=3 6005 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [0,0,0,1,0,0|2,0,0]=3 6006 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,0,0,1,0,0|2,0,0]=3 6007 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,0,0,1,0,0|2,0,0]=3 6008 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,0,0,1,0,0|1,0,2]=4 6009 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,0,0,1,0,0|1,0,2]=4 6010 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [0,0,0,1,0,0|3,0,0]=4 6011 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [0,0,0,1,0,0|3,0,0]=4 6012 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [0,0,0,1,0,0|3,0,0]=4 6013 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [0,0,0,1,0,0|3,0,0]=4 6014 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [0,0,0,1,0,0|3,0,0]=4 6015 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [0,0,0,1,0,0|3,0,0]=4 6016 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [0,0,0,1,0,0|2,0,1]=4 6017 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,0,0,1,0,0|1,0,2]=4 6018 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,0,0,1,0,0|2,0,0]=3 6019 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,0,0,1,0,0|2,0,0]=3 6020 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,0,0,1,0,0|2,0,1]=4 6021 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,0,0,1,0,0|1,0,2]=4 6022 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,0,0,1,0,0|1,0,2]=4 6023 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 6024 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,0,0,1,0,0|3,0,0]=4 6025 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,0,0,1,0,0|3,0,0]=4 6026 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,0,0,1,0,0|3,0,0]=4 6027 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,0,0,1,0,0|3,0,0]=4 6028 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,0,0,1,0,0|3,0,0]=4 6029 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,0,0,1,0,0|2,0,0]=3 6030 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,0,0,1,0,0|2,0,0]=3 6031 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,0,0,1,0,0|1,0,2]=4 6032 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,0,0,1,0,0|1,0,2]=4 6033 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,0,0,1,0,0|3,0,0]=4 6034 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,0,0,1,0,0|3,0,0]=4 6035 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [0,0,0,1,0,0|3,0,0]=4 6036 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [0,0,0,1,0,0|3,0,0]=4 6037 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [0,0,0,1,0,0|2,0,1]=4 6038 B9R1.12 C#CCCN1CCCC1 2230a_100000188435_100000688953 [0,0,0,1,0,0|2,0,1]=4 6039 B9R1.12 C#CCCN1CCCC1 269982a_100000188435_100000730999 [0,0,0,1,0,0|2,0,1]=4 6040 B9R1.12 C#CCNC1CCCC1 2230a_100000211070_100000038162 [0,0,0,1,0,0|2,0,1]=4 6041 B9R1.12 C#CCNC1CCCC1 34a_100000211070_100000184674 [0,0,0,1,0,0|2,0,1]=4 6042 B9R1.12 C#CCNC1CCCC1 34a_100000212058_100000179811 [0,0,0,1,0,0|2,0,1]=4 6043 B9R1.12 C#CCOC1CCCC1 34a_100000210247_100000179811 [0,0,0,1,0,0|2,0,1]=4 6044 B9R1.12 C#CCOC1CCCC1 34a_100000210269_100000184674 [0,0,0,1,0,0|2,0,1]=4 6045 B9R1.12 C#CCOC1CCCC1 7a_100000210269_100000038162 [0,0,0,1,0,0|2,0,1]=4 6046 B9R1.12 C#CCSC1CCCC1 62a_100000038162_100000179811 [0,0,0,1,0,0|2,0,1]=4 6047 B9R1.12 C/C=C/CN1CCCC1 269982a_100000188435_100102629194 [0,0,0,1,0,0|2,0,1]=4 6048 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [0,0,0,1,0,0|2,0,0]=3 6049 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [0,0,0,1,0,0|2,0,0]=3 6050 B9R1.12 C=CCCN1CCSC1 2230a_100011215254_100000754431 [0,0,0,1,0,0|3,0,0]=4 6051 B9R1.12 C=CCCN1CCSC1 269982a_100011215254_100000754431 [0,0,0,1,0,0|3,0,0]=4 6052 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [0,0,0,1,0,0|2,0,0]=3 6053 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [0,0,0,1,0,0|2,0,0]=3 6054 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [0,0,0,1,0,0|2,0,0]=3 6055 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [0,0,0,1,0,0|2,0,0]=3 6056 B9R1.12 C=CCNC1CCOC1 2230a_100020586998_100000731011 [0,0,0,1,0,0|3,0,0]=4 6057 B9R1.12 C=CCNC1CCOC1 270004a_100020586998_100000752484 [0,0,0,1,0,0|3,0,0]=4 6058 B9R1.12 C=CCNC1CCSC1 270004a_100020586998_100000212027 [0,0,0,1,0,0|3,0,0]=4 6059 B9R1.12 C=CCN[C@@H]1CCOC1 2230a_200015188469_100000210623 [0,0,0,1,0,0|3,0,0]=4 6060 B9R1.12 C=CCN[C@H]1CCOC1 2230a_100015188467_100000210623 [0,0,0,1,0,0|3,0,0]=4 6061 B9R1.12 C=CCN[C@H]1CCOC1 34a_100015188467_100015514636 [0,0,0,1,0,0|3,0,0]=4 6062 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [0,0,0,1,0,0|2,0,0]=3 6063 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [0,0,0,1,0,0|2,0,0]=3 6064 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [0,0,0,1,0,0|2,0,0]=3 6065 B9R1.12 C=CCOC1CCCO1 34a_100000085407_100015514636 [0,0,0,1,0,0|3,0,0]=4 6066 B9R1.12 C=CCOC1CCOC1 34a_200000210373_100000690089 [0,0,0,1,0,0|3,0,0]=4 6067 B9R1.12 C=CCOC1CCSC1 7a_100011232664_100015514636 [0,0,0,1,0,0|3,0,0]=4 6068 B9R1.12 C=CCO[C@H]1CCOC1 34a_100000717292_100015514636 [0,0,0,1,0,0|3,0,0]=4 6069 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [0,0,0,1,0,0|2,0,0]=3 6070 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [0,0,0,1,0,0|2,0,0]=3 6071 B9R1.12 C=CCSC1CCOC1 62a_100000210623_100000690089 [0,0,0,1,0,0|3,0,0]=4 6072 B9R1.12 CC=CCN1CCCC1 2230a_100000188435_100000070051 [0,0,0,1,0,0|2,0,1]=4 6073 B9R1.12 CC=NNC1CCCC1 4a_100000737850_200000210099 [0,0,0,1,0,0|3,0,0]=4 6074 B9R1.12 CCCCN1CC=CC1 269982a_100015195280_100000210211 [0,0,0,1,0,0|2,0,1]=4 6075 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [0,0,0,1,0,0|2,0,1]=4 6076 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [0,0,0,1,0,0|2,0,1]=4 6077 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [0,0,0,1,0,0|3,0,0]=4 6078 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [0,0,0,1,0,0|3,0,0]=4 6079 B9R1.12 CCCNC1CC=CC1 2230a_100015188752_100000210303 [0,0,0,1,0,0|2,0,1]=4 6080 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [0,0,0,1,0,0|2,0,1]=4 6081 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [0,0,0,1,0,0|2,0,1]=4 6082 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [0,0,0,1,0,0|2,0,1]=4 6083 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [0,0,0,1,0,0|3,0,0]=4 6084 B9R1.12 CCCNC1CCSC1 270004a_100020643023_100000212027 [0,0,0,1,0,0|3,0,0]=4 6085 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [0,0,0,1,0,0|3,0,0]=4 6086 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [0,0,0,1,0,0|3,0,0]=4 6087 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [0,0,0,1,0,0|3,0,0]=4 6088 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,0,0,1,0,0|2,0,1]=4 6089 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,0,0,1,0,0|2,0,1]=4 6090 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,0,0,1,0,0|2,0,1]=4 6091 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,0,0,1,0,0|1,0,2]=4 6092 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [0,0,0,1,0,0|3,0,0]=4 6093 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [0,0,0,1,0,0|3,0,0]=4 6094 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [0,0,0,1,0,0|3,0,0]=4 6095 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [0,0,0,1,0,0|2,0,1]=4 6096 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [0,0,0,1,0,0|2,0,1]=4 6097 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [0,0,0,1,0,0|3,0,0]=4 6098 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [0,0,0,1,0,0|2,0,1]=4 6099 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [0,0,0,1,0,0|2,0,1]=4 6100 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [0,0,0,1,0,0|2,0,1]=4 6101 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [0,0,0,1,0,0|2,0,1]=4 6102 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [0,0,0,1,0,0|1,0,2]=4 6103 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [0,0,0,1,0,0|3,0,0]=4 6104 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [0,0,0,1,0,0|3,0,0]=4 6105 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [0,0,0,1,0,0|3,0,0]=4 6106 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [0,0,0,1,0,0|1,0,2]=4 6107 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [0,0,0,1,0,0|1,0,2]=4 6108 B9R1.12 CCOCC1CC=CC1 34a_100000688395_100000210202 [0,0,0,1,0,0|2,0,1]=4 6109 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,0,0,1,0,0|2,0,1]=4 6110 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,0,0,1,0,0|2,0,1]=4 6111 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,0,0,1,0,0|2,0,1]=4 6112 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,0,0,1,0,0|1,0,2]=4 6113 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,0,0,1,0,0|1,0,2]=4 6114 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [0,0,0,1,0,0|3,0,0]=4 6115 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [0,0,0,1,0,0|3,0,0]=4 6116 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [0,0,0,1,0,0|3,0,0]=4 6117 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [0,0,0,1,0,0|2,0,1]=4 6118 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [0,0,0,1,0,0|2,0,1]=4 6119 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [0,0,0,1,0,0|2,0,1]=4 6120 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,0,0,1,0,0|1,0,2]=4 6121 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,0,0,1,0,0|1,0,2]=4 6122 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [0,0,0,1,0,0|3,0,0]=4 6123 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [0,0,0,1,0,0|3,0,0]=4 6124 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [0,0,0,1,0,0|2,0,0]=3 6125 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [0,0,0,1,0,0|2,0,0]=3 6126 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [0,0,0,1,0,0|2,0,0]=3 6127 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [0,0,0,1,0,0|2,0,0]=3 6128 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [0,0,0,1,0,0|2,0,0]=3 6129 B9R1.12 CNCCN1CCCC1 7a_106832991635_100000004467 [0,0,0,1,0,0|3,0,0]=4 6130 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [0,0,0,1,0,0|2,0,0]=3 6131 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [0,0,0,1,0,0|2,0,0]=3 6132 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [0,0,0,1,0,0|2,0,0]=3 6133 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 6134 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [0,0,0,1,0,0|3,0,0]=4 6135 B9R1.12 COCCN1CCCC1 2230a_100000188435_100011201679 [0,0,0,1,0,0|3,0,0]=4 6136 B9R1.12 COCCN1CCCC1 269982a_100000188435_100000233755 [0,0,0,1,0,0|3,0,0]=4 6137 B9R1.12 COCNC1CCCC1 2230a_100000211070_100000766300 [0,0,0,1,0,0|3,0,0]=4 6138 B9R1.12 COCSC1CCCC1 62a_100000766300_100000179811 [0,0,0,1,0,0|3,0,0]=4 6139 B9R1.12 COCSC1CCCC1 62a_100011217020_100000766300 [0,0,0,1,0,0|3,0,0]=4 6140 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,0,0,1,0,0|2,0,0]=3 6141 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,0,0,1,0,0|2,0,0]=3 6142 B9R1.12 CSCCN1CCCC1 2230a_100000188435_100000751147 [0,0,0,1,0,0|3,0,0]=4 6143 B9R1.12 CSCCN1CCCC1 269982a_100000188435_100000212216 [0,0,0,1,0,0|3,0,0]=4 6144 B9R1.12 CSCCN1CCCC1 62a_100000700749_200000210301 [0,0,0,1,0,0|3,0,0]=4 6145 B9R1.12 CSCCN1CCCC1 62a_200000210301_100000004467 [0,0,0,1,0,0|3,0,0]=4 6146 B9R1.12 CSCNC1CCCC1 2230a_100000211070_100011218213 [0,0,0,1,0,0|3,0,0]=4 6147 B9R1.12 CSCNC1CCCC1 34a_100000211070_100011218213 [0,0,0,1,0,0|3,0,0]=4 6148 B9R1.12 CSCOC1CCCC1 34a_100000210269_100011218213 [0,0,0,1,0,0|3,0,0]=4 6149 B9R1.12 CSCSC1CCCC1 62a_100011217020_100011218213 [0,0,0,1,0,0|3,0,0]=4 6150 B9R1.12 CSCSC1CCCC1 62a_100011218213_100000179811 [0,0,0,1,0,0|3,0,0]=4 6151 B9R1.12 FCCCN1CCCC1 2230a_100000188435_100011934791 [0,0,0,1,0,0|2,0,1]=4 6152 B9R1.12 FCCCN1CCCC1 269982a_100000188435_100011934791 [0,0,0,1,0,0|2,0,1]=4 6153 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [0,0,0,1,0,0|2,0,1]=4 6154 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [0,0,0,1,0,0|2,0,1]=4 6155 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [0,0,0,1,0,0|2,0,1]=4 6156 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [0,0,0,1,0,0|2,0,1]=4 6157 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [0,0,0,1,0,0|2,0,1]=4 6158 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [0,0,0,1,0,0|2,0,1]=4 6159 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [0,0,0,1,0,0|2,0,1]=4 6160 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [0,0,0,1,0,0|2,0,1]=4 6161 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [0,0,0,1,0,0|2,0,1]=4 6162 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [0,0,0,1,0,0|2,0,1]=4 6163 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [0,0,0,1,0,0|2,0,1]=4 6164 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [0,0,0,1,0,0|2,0,1]=4 6165 B9R1.12 N#CCCN1CCCC1 2230a_100000188435_100011215226 [0,0,0,1,0,0|2,0,1]=4 6166 B9R1.12 N#CCCN1CCCC1 269982a_100000188435_100011215226 [0,0,0,1,0,0|2,0,1]=4 6167 B9R1.12 N#CCNC1CCCC1 2230a_100000211070_100011215382 [0,0,0,1,0,0|2,0,1]=4 6168 B9R1.12 N#CCOC1CCCC1 7a_100000210269_100011215382 [0,0,0,1,0,0|2,0,1]=4 6169 B9R1.12 N#CCSC1CCCC1 62a_100011215382_100000179811 [0,0,0,1,0,0|2,0,1]=4 6170 B9R1.12 N#CCSC1CCCC1 62a_100011217020_100011215382 [0,0,0,1,0,0|2,0,1]=4 6171 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [0,0,0,1,0,0|2,0,1]=4 6172 B9R1.12 O=CCNC1CC=CC1 2230a_100015188752_200015260668 [0,0,0,1,0,0|1,0,2]=4 6173 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [0,0,0,1,0,0|1,0,0]=2 6174 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [0,0,0,1,0,0|1,0,0]=2 6175 B9R1.12 O=CCN[C@@H]1CCOC1 2230a_200015188469_200015260668 [0,0,0,1,0,0|2,0,0]=3 6176 B9R1.12 O=CCN[C@H]1CCOC1 2230a_100015188467_200015260668 [0,0,0,1,0,0|2,0,0]=3 6177 B9R1.12 O=CCN[C@H]1CCOC1 34a_100015188467_200009817547 [0,0,0,1,0,0|2,0,0]=3 6178 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [0,0,0,1,0,0|1,0,0]=2 6179 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [0,0,0,1,0,0|1,0,0]=2 6180 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [0,0,0,1,0,0|2,0,0]=3 6181 B9R1.12 O=CCOC1CCSC1 7a_100011232664_200015260668 [0,0,0,1,0,0|2,0,0]=3 6182 B9R1.12 O=CCO[C@H]1CCOC1 34a_100000717292_200009817547 [0,0,0,1,0,0|2,0,0]=3 6183 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [0,0,0,1,0,0|1,0,0]=2 6184 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [0,0,0,1,0,0|1,0,0]=2 6185 B9R1.12 O=CCSC1CCOC1 62a_200015260668_100000690089 [0,0,0,1,0,0|2,0,0]=3 6186 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [0,0,0,1,0,0|1,0,2]=4 6187 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [0,0,0,1,0,0|1,0,2]=4 6188 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [0,0,0,1,0,0|1,0,2]=4 6189 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [0,0,0,1,0,0|1,0,2]=4 6190 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [0,0,0,1,0,0|1,0,2]=4 6191 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [0,0,0,1,0,0|1,0,2]=4 6192 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [0,0,0,1,0,0|1,0,2]=4 6193 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,0,0,1,0,0|1,0,2]=4 6194 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,0,0,1,0,0|1,0,2]=4 6195 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [0,0,0,1,0,0|1,0,2]=4 6196 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [0,0,0,1,0,0|1,0,2]=4 6197 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [0,0,0,1,0,0|2,0,0]=3 6198 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [0,0,0,1,0,0|2,0,0]=3 6199 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [0,0,0,1,0,0|2,0,0]=3 6200 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [0,0,0,1,0,0|2,0,0]=3 6201 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 6202 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [0,0,0,1,0,0|3,0,0]=4 6203 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,0,0,1,0,0|2,0,0]=3 6204 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,0,0,1,0,0|2,0,0]=3 6205 B9R1.12 [13CH3]SCCN1CCCC1 62a_100000700749_200025704644 [0,0,0,1,0,0|3,0,0]=4 6206 B9R1.12 [13CH3]SCCN1CCCC1 62a_200025704644_100000004467 [0,0,0,1,0,0|3,0,0]=4 6207 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [0,0,0,1,0,0|2,0,0]=3 6208 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [0,0,0,1,0,0|2,0,0]=3 6209 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [0,0,0,1,0,0|2,0,1]=4 6210 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [0,0,0,1,0,0|2,0,1]=4 6211 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [0,0,0,1,0,0|2,0,1]=4 6212 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [0,0,0,1,0,0|2,0,1]=4 6213 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [0,0,0,1,0,0|2,0,1]=4 6214 B9R1.14 CCN1CCCC1C#N 2230a_100000701862_100000210202 [0,0,0,1,0,0|2,0,1]=4 6215 B9R1.14 CCN1CCC[C@@H]1C#N 2230a_106645074975_100000210202 [0,0,0,1,0,0|2,0,1]=4 6216 B9R1.14 CCN1CCC[C@@H]1C#N 269982a_106645074975_100000204670 [0,0,0,1,0,0|2,0,1]=4 6217 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [0,0,0,1,0,0|1,0,2]=4 6218 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [0,0,0,1,0,0|1,0,2]=4 6219 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [0,0,0,1,0,0|1,0,2]=4 6220 B9R1.14 CO[C@@H]1CCC[C@H]1C#N 34a_100011907464_200000210301 [0,0,0,1,0,0|2,0,1]=4 6221 B9R1.14 CO[C@@H]1CCC[C@H]1C#N 7a_100011907464_200000210301 [0,0,0,1,0,0|2,0,1]=4 6222 B9R1.14 [13CH3]O[C@@H]1CCC[C@H]1C#N 34a_100011907464_200025704644 [0,0,0,1,0,0|2,0,1]=4 6223 B9R1.14 [13CH3]O[C@@H]1CCC[C@H]1C#N 7a_100011907464_200025704644 [0,0,0,1,0,0|2,0,1]=4 6224 B9R1.15 C#CC1CCCCN1C 2230a_200020621307_200000210301 [0,0,0,1,0,0|2,0,1]=4 6225 B9R1.15 C#CC1CCCCN1C 269982a_200020621307_200000210301 [0,0,0,1,0,0|2,0,1]=4 6226 B9R1.15 C#CC1CCCCN1C 34a_200020621307_200000210301 [0,0,0,1,0,0|2,0,1]=4 6227 B9R1.15 C#CC1CCCCN1[13CH3] 2230a_200020621307_200025704644 [0,0,0,1,0,0|2,0,1]=4 6228 B9R1.15 C#CC1CCCCN1[13CH3] 269982a_200020621307_200025704644 [0,0,0,1,0,0|2,0,1]=4 6229 B9R1.15 C#CC1CCCCN1[13CH3] 34a_200020621307_200025704644 [0,0,0,1,0,0|2,0,1]=4 6230 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,0,0,1,0,0|2,0,0]=3 6231 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,0,0,1,0,0|2,0,0]=3 6232 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,0,0,1,0,0|2,0,0]=3 6233 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,0,0,1,0,0|2,0,0]=3 6234 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [0,0,0,1,0,0|2,0,1]=4 6235 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [0,0,0,1,0,0|2,0,1]=4 6236 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [0,0,0,1,0,0|3,0,0]=4 6237 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [0,0,0,1,0,0|3,0,0]=4 6238 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,0,0,1,0,0|2,0,0]=3 6239 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,0,0,1,0,0|2,0,0]=3 6240 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,0,0,1,0,0|2,0,0]=3 6241 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,0,0,1,0,0|2,0,0]=3 6242 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,0,0,1,0,0|2,0,0]=3 6243 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,0,0,1,0,0|2,0,0]=3 6244 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,0,0,1,0,0|2,0,1]=4 6245 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,0,0,1,0,0|2,0,1]=4 6246 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,0,0,1,0,0|2,0,1]=4 6247 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [0,0,0,1,0,0|3,0,0]=4 6248 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [0,0,0,1,0,0|3,0,0]=4 6249 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [0,0,0,1,0,0|3,0,0]=4 6250 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [0,0,0,1,0,0|3,0,0]=4 6251 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [0,0,0,1,0,0|3,0,0]=4 6252 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [0,0,0,1,0,0|3,0,0]=4 6253 B9R1.15 CN1CCCCC1C#N 34a_100016989756_200000210301 [0,0,0,1,0,0|2,0,1]=4 6254 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,0,0,1,0,0|1,0,2]=4 6255 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,0,0,1,0,0|1,0,2]=4 6256 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,0,0,1,0,0|1,0,2]=4 6257 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,0,0,1,0,0|1,0,0]=2 6258 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,0,0,1,0,0|1,0,0]=2 6259 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,0,0,1,0,0|2,0,0]=3 6260 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,0,0,1,0,0|2,0,0]=3 6261 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,0,0,1,0,0|2,0,0]=3 6262 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,0,0,1,0,0|2,0,0]=3 6263 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [0,0,0,1,0,0|2,0,1]=4 6264 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,0,0,1,0,0|1,0,2]=4 6265 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,0,0,1,0,0|2,0,0]=3 6266 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,0,0,1,0,0|2,0,0]=3 6267 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,0,0,1,0,0|2,0,0]=3 6268 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,0,0,1,0,0|2,0,0]=3 6269 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,0,0,1,0,0|2,0,0]=3 6270 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [0,0,0,1,0,0|3,0,0]=4 6271 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [0,0,0,1,0,0|3,0,0]=4 6272 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,0,0,1,0,0|2,0,0]=3 6273 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,0,0,1,0,0|2,0,0]=3 6274 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [0,0,0,1,0,0|2,0,1]=4 6275 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [0,0,0,1,0,0|2,0,1]=4 6276 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,0,0,1,0,0|1,0,0]=2 6277 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,0,0,1,0,0|1,0,0]=2 6278 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,0,0,1,0,0|2,0,0]=3 6279 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,0,0,1,0,0|2,0,0]=3 6280 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,0,0,1,0,0|2,0,1]=4 6281 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,0,0,1,0,0|2,0,1]=4 6282 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,0,0,1,0,0|2,0,1]=4 6283 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,0,0,1,0,0|1,0,2]=4 6284 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,0,0,1,0,0|2,0,0]=3 6285 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,0,0,1,0,0|2,0,0]=3 6286 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [0,0,0,1,0,0|3,0,0]=4 6287 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [0,0,0,1,0,0|3,0,0]=4 6288 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,0,0,1,0,0|2,0,0]=3 6289 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,0,0,1,0,0|2,0,1]=4 6290 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,0,0,1,0,0|2,0,1]=4 6291 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,0,0,1,0,0|2,0,1]=4 6292 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,0,0,1,0,0|1,0,0]=2 6293 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,0,0,1,0,0|1,0,0]=2 6294 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [0,0,0,1,0,0|2,0,1]=4 6295 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [0,0,0,1,0,0|2,0,1]=4 6296 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,0,0,1,0,0|1,0,2]=4 6297 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,0,0,1,0,0|1,0,2]=4 6298 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,0,0,1,0,0|2,0,0]=3 6299 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,0,0,1,0,0|2,0,0]=3 6300 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,0,0,1,0,0|2,0,0]=3 6301 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,0,0,1,0,0|2,0,0]=3 6302 B9R1.15 [13CH3]N1CCCCC1C#N 34a_100016989756_200025704644 [0,0,0,1,0,0|2,0,1]=4 6303 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,0,0,1,0,0|1,0,2]=4 6304 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,0,0,1,0,0|1,0,2]=4 6305 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,0,0,1,0,0|1,0,2]=4 6306 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,0,0,1,0,0|2,0,0]=3 6307 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,0,0,1,0,0|2,0,0]=3 6308 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [0,0,0,1,0,0|2,0,1]=4 6309 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [0,0,0,1,0,0|2,0,1]=4 6310 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,0,0,1,0,0|1,0,0]=2 6311 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,0,0,1,0,0|2,0,1]=4 6312 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,0,0,1,0,0|2,0,1]=4 6313 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,0,0,1,0,0|2,0,0]=3 6314 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,0,0,1,0,0|2,0,1]=4 6315 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,0,0,1,0,0|2,0,1]=4 6316 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,0,0,1,0,0|2,0,1]=4 6317 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,0,0,1,0,0|1,0,0]=2 6318 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,0,0,1,0,0|1,0,0]=2 6319 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [0,0,0,1,0,0|2,0,1]=4 6320 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [0,0,0,1,0,0|2,0,1]=4 6321 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,0,0,1,0,0|1,0,2]=4 6322 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,0,0,1,0,0|1,0,2]=4 6323 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,0,0,1,0,0|2,0,0]=3 6324 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,0,0,1,0,0|2,0,0]=3 6325 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,0,0,1,0,0|2,0,0]=3 6326 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,0,0,1,0,0|2,0,0]=3 6327 B9R1.16 C#CCOCC1CC1C 34a_100000744939_100000184674 [0,0,0,1,0,0|2,0,1]=4 6328 B9R1.16 C#CCOCC1CC1C 7a_100000744939_100000038162 [0,0,0,1,0,0|2,0,1]=4 6329 B9R1.16 C=CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000754431 [0,0,0,1,0,0|3,0,0]=4 6330 B9R1.16 C=CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000754431 [0,0,0,1,0,0|3,0,0]=4 6331 B9R1.16 C=CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000754431 [0,0,0,1,0,0|3,0,0]=4 6332 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [0,0,0,1,0,0|2,0,0]=3 6333 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [0,0,0,1,0,0|2,0,0]=3 6334 B9R1.16 CC1CC1COCC#N 7a_100000744939_100011215382 [0,0,0,1,0,0|2,0,1]=4 6335 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [0,0,0,1,0,0|1,0,0]=2 6336 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [0,0,0,1,0,0|1,0,0]=2 6337 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [0,0,0,1,0,0|2,0,1]=4 6338 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [0,0,0,1,0,0|2,0,1]=4 6339 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [0,0,0,1,0,0|1,0,2]=4 6340 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [0,0,0,1,0,0|1,0,2]=4 6341 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [0,0,0,1,0,0|2,0,1]=4 6342 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [0,0,0,1,0,0|2,0,1]=4 6343 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [0,0,0,1,0,0|2,0,1]=4 6344 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,0,0,1,0,0|2,0,1]=4 6345 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,0,0,1,0,0|2,0,1]=4 6346 B9R1.16 CSCOCC1CC1C 34a_100000744939_100011218213 [0,0,0,1,0,0|3,0,0]=4 6347 B9R1.17 BrCCCOC1CCC1 34a_100011217188_100000749161 [0,0,0,1,0,0|2,0,1]=4 6348 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [0,0,0,1,0,0|2,0,1]=4 6349 B9R1.17 C#CCCCN1CCC1 269982a_100000754969_100011215417 [0,0,0,1,0,0|2,0,1]=4 6350 B9R1.17 C#CCCNC1CCC1 2230a_100000749019_100000688953 [0,0,0,1,0,0|2,0,1]=4 6351 B9R1.17 C#CCCNC1CCC1 34a_100000749019_100000688953 [0,0,0,1,0,0|2,0,1]=4 6352 B9R1.17 C#CCCNC1CCC1 34a_100000755551_100000749161 [0,0,0,1,0,0|2,0,1]=4 6353 B9R1.17 C#CCCOC1CCC1 34a_100000748187_100000688953 [0,0,0,1,0,0|2,0,1]=4 6354 B9R1.17 C#CCCOC1CCC1 34a_100011215631_100000749161 [0,0,0,1,0,0|2,0,1]=4 6355 B9R1.17 C#CCCSC1CCC1 62a_100000688953_100000749161 [0,0,0,1,0,0|2,0,1]=4 6356 B9R1.17 C#CCNCC1CCC1 2230a_100000738700_100000038162 [0,0,0,1,0,0|2,0,1]=4 6357 B9R1.17 C#CCNCC1CCC1 34a_100000212058_100000763275 [0,0,0,1,0,0|2,0,1]=4 6358 B9R1.17 C#CCNCC1CCC1 34a_100000738700_100000184674 [0,0,0,1,0,0|2,0,1]=4 6359 B9R1.17 C#CCOCC1CCC1 34a_100000210247_100000763275 [0,0,0,1,0,0|2,0,1]=4 6360 B9R1.17 C#CCOCC1CCC1 34a_100000760304_100000184674 [0,0,0,1,0,0|2,0,1]=4 6361 B9R1.17 C#CCSCC1CCC1 62a_100000038162_100000763275 [0,0,0,1,0,0|2,0,1]=4 6362 B9R1.17 C/C=C/CNC1CCC1 34a_100000749019_100102629194 [0,0,0,1,0,0|2,0,1]=4 6363 B9R1.17 C/C=C/COC1CCC1 34a_100000748187_100102629194 [0,0,0,1,0,0|2,0,1]=4 6364 B9R1.17 C/C=C/COC1CCC1 34a_100016270725_100000749161 [0,0,0,1,0,0|2,0,1]=4 6365 B9R1.17 C/C=C/CSC1CCC1 62a_100102629194_100000749161 [0,0,0,1,0,0|2,0,1]=4 6366 B9R1.17 C=CCCCN1CCC1 269982a_100000754969_100000757094 [0,0,0,1,0,0|2,0,0]=3 6367 B9R1.17 C=CCCNC1CCC1 2230a_100000749019_100000754431 [0,0,0,1,0,0|2,0,0]=3 6368 B9R1.17 C=CCCNC1CCC1 270004a_100015191253_100000241760 [0,0,0,1,0,0|2,0,0]=3 6369 B9R1.17 C=CCCNC1CCC1 34a_100000749019_100000754431 [0,0,0,1,0,0|2,0,0]=3 6370 B9R1.17 C=CCCNC1COC1 2230a_100016991112_100000754431 [0,0,0,1,0,0|3,0,0]=4 6371 B9R1.17 C=CCCOC1CCC1 34a_100000748187_100000754431 [0,0,0,1,0,0|2,0,0]=3 6372 B9R1.17 C=CCCOC1CCC1 34a_100011205117_100000749161 [0,0,0,1,0,0|2,0,0]=3 6373 B9R1.17 C=CCCOC1COC1 34a_100011205117_100009818527 [0,0,0,1,0,0|3,0,0]=4 6374 B9R1.17 C=CCCOC1CSC1 7a_100000072292_100000754431 [0,0,0,1,0,0|3,0,0]=4 6375 B9R1.17 C=CCCSC1CCC1 62a_100000754431_100000749161 [0,0,0,1,0,0|2,0,0]=3 6376 B9R1.17 C=CCCSC1COC1 62a_100000754431_100009818527 [0,0,0,1,0,0|3,0,0]=4 6377 B9R1.17 C=CCNCC1CCC1 2230a_100000738700_100000210623 [0,0,0,1,0,0|2,0,0]=3 6378 B9R1.17 C=CCNCC1CCC1 2230a_100020586998_100000763275 [0,0,0,1,0,0|2,0,0]=3 6379 B9R1.17 C=CCNCC1CCC1 34a_100000738700_100015514636 [0,0,0,1,0,0|2,0,0]=3 6380 B9R1.17 C=CCNCC1CCO1 2230a_100020586998_100000103362 [0,0,0,1,0,0|3,0,0]=4 6381 B9R1.17 C=CCNCC1COC1 2230a_100015281925_100000210623 [0,0,0,1,0,0|3,0,0]=4 6382 B9R1.17 C=CCNCC1COC1 2230a_100020586998_100010264016 [0,0,0,1,0,0|3,0,0]=4 6383 B9R1.17 C=CCNCC1COC1 34a_100015281925_100015514636 [0,0,0,1,0,0|3,0,0]=4 6384 B9R1.17 C=CCNC[C@@H]1CCO1 2230a_100020831831_100000210623 [0,0,0,1,0,0|3,0,0]=4 6385 B9R1.17 C=CCNC[C@@H]1CCO1 34a_100020831831_100015514636 [0,0,0,1,0,0|3,0,0]=4 6386 B9R1.17 C=CCOCC1CCC1 34a_100000760304_100015514636 [0,0,0,1,0,0|2,0,0]=3 6387 B9R1.17 C=CCOCC1CCC1 34a_200000210373_100000763275 [0,0,0,1,0,0|2,0,0]=3 6388 B9R1.17 C=CCOCC1CCO1 34a_100000039022_100015514636 [0,0,0,1,0,0|3,0,0]=4 6389 B9R1.17 C=CCOCC1CCO1 34a_200000210373_100000103362 [0,0,0,1,0,0|3,0,0]=4 6390 B9R1.17 C=CCOCC1CNC1 34a_100016987283_100015514636 [0,0,0,1,0,0|3,0,0]=4 6391 B9R1.17 C=CCOCC1COC1 34a_100000060846_100015514636 [0,0,0,1,0,0|3,0,0]=4 6392 B9R1.17 C=CCOCC1COC1 34a_200000210373_100010264016 [0,0,0,1,0,0|3,0,0]=4 6393 B9R1.17 C=CCSCC1CCC1 62a_100000210623_100000763275 [0,0,0,1,0,0|2,0,0]=3 6394 B9R1.17 C=CCSCC1CCC1 62a_100000763275_100000210623 [0,0,0,1,0,0|2,0,0]=3 6395 B9R1.17 C=CCSCC1CCO1 62a_100000103362_100000210623 [0,0,0,1,0,0|3,0,0]=4 6396 B9R1.17 C=CCSCC1CCO1 62a_100000210623_100000103362 [0,0,0,1,0,0|3,0,0]=4 6397 B9R1.17 C=CCSCC1COC1 62a_100000210623_100010264016 [0,0,0,1,0,0|3,0,0]=4 6398 B9R1.17 C=CCSCC1COC1 62a_100010264016_100000210623 [0,0,0,1,0,0|3,0,0]=4 6399 B9R1.17 C=COCCN1CCC1 269982a_100000754969_100000039644 [0,0,0,1,0,0|3,0,0]=4 6400 B9R1.17 CC=CCNC1CCC1 2230a_100000749019_100000070051 [0,0,0,1,0,0|2,0,1]=4 6401 B9R1.17 CC=CCNC1CCC1 34a_100000749019_100000070051 [0,0,0,1,0,0|2,0,1]=4 6402 B9R1.17 CC=CCOC1CCC1 34a_100000748187_100000070051 [0,0,0,1,0,0|2,0,1]=4 6403 B9R1.17 CC=CCSC1CCC1 62a_100000070051_100000749161 [0,0,0,1,0,0|2,0,1]=4 6404 B9R1.17 CC=NNCC1CCC1 4a_200020586977_200000210099 [0,0,0,1,0,0|3,0,0]=4 6405 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [0,0,0,1,0,0|2,0,1]=4 6406 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [0,0,0,1,0,0|2,0,1]=4 6407 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [0,0,0,1,0,0|2,0,1]=4 6408 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [0,0,0,1,0,0|2,0,1]=4 6409 B9R1.17 CCCCNC1COC1 2230a_100016991112_100000210211 [0,0,0,1,0,0|3,0,0]=4 6410 B9R1.17 CCCCNC1COC1 7a_106832991798_100009818527 [0,0,0,1,0,0|3,0,0]=4 6411 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [0,0,0,1,0,0|2,0,1]=4 6412 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [0,0,0,1,0,0|2,0,1]=4 6413 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [0,0,0,1,0,0|3,0,0]=4 6414 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [0,0,0,1,0,0|3,0,0]=4 6415 B9R1.17 CCCCOC1CSC1 7a_100000072292_100000210211 [0,0,0,1,0,0|3,0,0]=4 6416 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [0,0,0,1,0,0|2,0,1]=4 6417 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [0,0,0,1,0,0|3,0,0]=4 6418 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [0,0,0,1,0,0|2,0,1]=4 6419 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [0,0,0,1,0,0|2,0,1]=4 6420 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [0,0,0,1,0,0|2,0,1]=4 6421 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [0,0,0,1,0,0|3,0,0]=4 6422 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [0,0,0,1,0,0|3,0,0]=4 6423 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,0,0,1,0,0|1,0,2]=4 6424 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,0,0,1,0,0|1,0,2]=4 6425 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [0,0,0,1,0,0|2,0,1]=4 6426 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [0,0,0,1,0,0|2,0,1]=4 6427 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,0,0,1,0,0|1,0,2]=4 6428 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,0,0,1,0,0|1,0,2]=4 6429 B9R1.17 CCCOCC1CNC1 34a_100016987283_100000210303 [0,0,0,1,0,0|3,0,0]=4 6430 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [0,0,0,1,0,0|3,0,0]=4 6431 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [0,0,0,1,0,0|3,0,0]=4 6432 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [0,0,0,1,0,0|2,0,1]=4 6433 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [0,0,0,1,0,0|2,0,1]=4 6434 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,0,0,1,0,0|1,0,2]=4 6435 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,0,0,1,0,0|1,0,2]=4 6436 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [0,0,0,1,0,0|3,0,0]=4 6437 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [0,0,0,1,0,0|3,0,0]=4 6438 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [0,0,0,1,0,0|3,0,0]=4 6439 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [0,0,0,1,0,0|3,0,0]=4 6440 B9R1.17 COCCNC1CCC1 2230a_100000749019_100011201679 [0,0,0,1,0,0|3,0,0]=4 6441 B9R1.17 COCCNC1CCC1 270004a_100000209980_100000241760 [0,0,0,1,0,0|3,0,0]=4 6442 B9R1.17 COCCNC1CCC1 34a_100000749019_100011201679 [0,0,0,1,0,0|3,0,0]=4 6443 B9R1.17 COCCOC1CCC1 34a_100000210237_100000749161 [0,0,0,1,0,0|3,0,0]=4 6444 B9R1.17 COCCOC1CCC1 34a_100000748187_100011201679 [0,0,0,1,0,0|3,0,0]=4 6445 B9R1.17 COCCSC1CCC1 62a_100000233755_100000749161 [0,0,0,1,0,0|3,0,0]=4 6446 B9R1.17 COCNCC1CCC1 2230a_100000738700_100000766300 [0,0,0,1,0,0|3,0,0]=4 6447 B9R1.17 COCSCC1CCC1 62a_100000763275_100000766300 [0,0,0,1,0,0|3,0,0]=4 6448 B9R1.17 COCSCC1CCC1 62a_100000766300_100000763275 [0,0,0,1,0,0|3,0,0]=4 6449 B9R1.17 CSCCNC1CCC1 2230a_100000749019_100000751147 [0,0,0,1,0,0|3,0,0]=4 6450 B9R1.17 CSCCNC1CCC1 270004a_100020590264_100000241760 [0,0,0,1,0,0|3,0,0]=4 6451 B9R1.17 CSCCNC1CCC1 34a_100000749019_100000212216 [0,0,0,1,0,0|3,0,0]=4 6452 B9R1.17 CSCCOC1CCC1 34a_100000230434_100000749161 [0,0,0,1,0,0|3,0,0]=4 6453 B9R1.17 CSCCOC1CCC1 34a_100000748187_100000212216 [0,0,0,1,0,0|3,0,0]=4 6454 B9R1.17 CSCCSC1CCC1 62a_100000212216_100000749161 [0,0,0,1,0,0|3,0,0]=4 6455 B9R1.17 CSCNCC1CCC1 2230a_100000738700_100011218213 [0,0,0,1,0,0|3,0,0]=4 6456 B9R1.17 CSCNCC1CCC1 34a_100000738700_100011218213 [0,0,0,1,0,0|3,0,0]=4 6457 B9R1.17 CSCOCC1CCC1 34a_100000760304_100011218213 [0,0,0,1,0,0|3,0,0]=4 6458 B9R1.17 CSCSCC1CCC1 62a_100000763275_100011218213 [0,0,0,1,0,0|3,0,0]=4 6459 B9R1.17 CSCSCC1CCC1 62a_100011218213_100000763275 [0,0,0,1,0,0|3,0,0]=4 6460 B9R1.17 ClCCCOC1CCC1 34a_100000230001_100000749161 [0,0,0,1,0,0|2,0,1]=4 6461 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [0,0,0,1,0,0|2,0,1]=4 6462 B9R1.17 FCCCNC1CCC1 2230a_100000749019_100011934791 [0,0,0,1,0,0|2,0,1]=4 6463 B9R1.17 FCCCNC1CCC1 270004a_100015189416_100000241760 [0,0,0,1,0,0|2,0,1]=4 6464 B9R1.17 FCCCNC1CCC1 34a_100000749019_100011934791 [0,0,0,1,0,0|2,0,1]=4 6465 B9R1.17 FCCCNC1CCC1 34a_100015189416_100000749161 [0,0,0,1,0,0|2,0,1]=4 6466 B9R1.17 FCCCOC1CCC1 34a_100000748187_100011934791 [0,0,0,1,0,0|2,0,1]=4 6467 B9R1.17 FCCCOC1CCC1 34a_100000759539_100000749161 [0,0,0,1,0,0|2,0,1]=4 6468 B9R1.17 FCCCSC1CCC1 62a_100011934791_100000749161 [0,0,0,1,0,0|2,0,1]=4 6469 B9R1.17 FCCNCC1CCC1 2230a_100000738700_100011217306 [0,0,0,1,0,0|2,0,1]=4 6470 B9R1.17 FCCNCC1CCC1 269862a_100000724931_100000753134 [0,0,0,1,0,0|2,0,1]=4 6471 B9R1.17 FCCNCC1CCC1 34a_100000724931_100000763275 [0,0,0,1,0,0|2,0,1]=4 6472 B9R1.17 FCCNCC1CCC1 34a_100000738700_100011217306 [0,0,0,1,0,0|2,0,1]=4 6473 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [0,0,0,1,0,0|2,0,1]=4 6474 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [0,0,0,1,0,0|2,0,1]=4 6475 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [0,0,0,1,0,0|2,0,1]=4 6476 B9R1.17 N#CCCCN1CCC1 269982a_100000754969_100000687738 [0,0,0,1,0,0|2,0,1]=4 6477 B9R1.17 N#CCCNC1CCC1 2230a_100000749019_100011215226 [0,0,0,1,0,0|2,0,1]=4 6478 B9R1.17 N#CCCNC1CCC1 270004a_100000720768_100000241760 [0,0,0,1,0,0|2,0,1]=4 6479 B9R1.17 N#CCCSC1CCC1 62a_100011215226_100000749161 [0,0,0,1,0,0|2,0,1]=4 6480 B9R1.17 N#CCNCC1CCC1 2230a_100000738700_100011215382 [0,0,0,1,0,0|2,0,1]=4 6481 B9R1.17 N#CCSCC1CCC1 62a_100000763275_100011215382 [0,0,0,1,0,0|2,0,1]=4 6482 B9R1.17 N#CCSCC1CCC1 62a_100011215382_100000763275 [0,0,0,1,0,0|2,0,1]=4 6483 B9R1.17 NCCCOC1CCC1 34a_100000182051_100000749161 [0,0,0,1,0,0|2,0,1]=4 6484 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [0,0,0,1,0,0|2,0,1]=4 6485 B9R1.17 NOCCOC1CCC1 34a_100000700252_100000749161 [0,0,0,1,0,0|3,0,0]=4 6486 B9R1.17 O=CCCCN1CCC1 269982a_100000754969_200011292268 [0,0,0,1,0,0|1,0,0]=2 6487 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [0,0,0,1,0,0|1,0,0]=2 6488 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [0,0,0,1,0,0|1,0,0]=2 6489 B9R1.17 O=CCNCC1COC1 2230a_100015281925_200015260668 [0,0,0,1,0,0|2,0,0]=3 6490 B9R1.17 O=CCNCC1COC1 34a_100015281925_200009817547 [0,0,0,1,0,0|2,0,0]=3 6491 B9R1.17 O=CCNC[C@@H]1CCO1 2230a_100020831831_200015260668 [0,0,0,1,0,0|2,0,0]=3 6492 B9R1.17 O=CCNC[C@@H]1CCO1 34a_100020831831_200009817547 [0,0,0,1,0,0|2,0,0]=3 6493 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [0,0,0,1,0,0|1,0,0]=2 6494 B9R1.17 O=CCOCC1CCO1 34a_100000039022_200009817547 [0,0,0,1,0,0|2,0,0]=3 6495 B9R1.17 O=CCOCC1CNC1 34a_100016987283_200009817547 [0,0,0,1,0,0|2,0,0]=3 6496 B9R1.17 O=CCOCC1COC1 34a_100000060846_200009817547 [0,0,0,1,0,0|2,0,0]=3 6497 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [0,0,0,1,0,0|1,0,0]=2 6498 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [0,0,0,1,0,0|1,0,0]=2 6499 B9R1.17 O=CCSCC1CCO1 62a_100000103362_200015260668 [0,0,0,1,0,0|2,0,0]=3 6500 B9R1.17 O=CCSCC1CCO1 62a_200015260668_100000103362 [0,0,0,1,0,0|2,0,0]=3 6501 B9R1.17 O=CCSCC1COC1 62a_100010264016_200015260668 [0,0,0,1,0,0|2,0,0]=3 6502 B9R1.17 O=CCSCC1COC1 62a_200015260668_100010264016 [0,0,0,1,0,0|2,0,0]=3 6503 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [0,0,0,1,0,0|1,0,2]=4 6504 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [0,0,0,1,0,0|1,0,2]=4 6505 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [0,0,0,1,0,0|1,0,2]=4 6506 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [0,0,0,1,0,0|1,0,2]=4 6507 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [0,0,0,1,0,0|1,0,2]=4 6508 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [0,0,0,1,0,0|1,0,2]=4 6509 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [0,0,0,1,0,0|1,0,2]=4 6510 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [0,0,0,1,0,0|1,0,2]=4 6511 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [0,0,0,1,0,0|1,0,2]=4 6512 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [0,0,0,1,0,0|1,0,2]=4 6513 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [0,0,0,1,0,0|1,0,2]=4 6514 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [0,0,0,1,0,0|1,0,2]=4 6515 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [0,0,0,1,0,0|1,0,2]=4 6516 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [0,0,0,1,0,0|1,0,2]=4 6517 B9R1.33 C#CCN1CCC[C@@H]1C 2230a_100020605311_100000038162 [0,0,0,1,0,0|2,0,1]=4 6518 B9R1.33 C#CCN1CCC[C@H]1C 2230a_100015189458_100000038162 [0,0,0,1,0,0|2,0,1]=4 6519 B9R1.33 C#CCN1CCC[C@H]1C 34a_100015189458_100000184674 [0,0,0,1,0,0|2,0,1]=4 6520 B9R1.33 C=CCN1CCC[C@@H]1C 2230a_100020605311_100000210623 [0,0,0,1,0,0|2,0,0]=3 6521 B9R1.33 C=CCN1CCC[C@@H]1C 269982a_100020605311_100000210623 [0,0,0,1,0,0|2,0,0]=3 6522 B9R1.33 C=CCN1CCC[C@H]1C 2230a_100015189458_100000210623 [0,0,0,1,0,0|2,0,0]=3 6523 B9R1.33 C=CCN1CCC[C@H]1C 269982a_100015189458_100000210623 [0,0,0,1,0,0|2,0,0]=3 6524 B9R1.33 C=CCN1CCC[C@H]1C 34a_100015189458_100015514636 [0,0,0,1,0,0|2,0,0]=3 6525 B9R1.33 C=CCN1CCSC1C 2230a_200011216479_100000210623 [0,0,0,1,0,0|3,0,0]=4 6526 B9R1.33 C=CCN1CCSC1C 269982a_200011216479_100000210623 [0,0,0,1,0,0|3,0,0]=4 6527 B9R1.33 C=CCN1CCSC1C 34a_200011216479_100015514636 [0,0,0,1,0,0|3,0,0]=4 6528 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [0,0,0,1,0,0|2,0,1]=4 6529 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [0,0,0,1,0,0|2,0,1]=4 6530 B9R1.33 CC1SCCN1CC=O 2230a_200011216479_200015260668 [0,0,0,1,0,0|2,0,0]=3 6531 B9R1.33 CC1SCCN1CC=O 269982a_200011216479_200015260668 [0,0,0,1,0,0|2,0,0]=3 6532 B9R1.33 CC1SCCN1CC=O 34a_200011216479_200009817547 [0,0,0,1,0,0|2,0,0]=3 6533 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [0,0,0,1,0,0|2,0,1]=4 6534 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [0,0,0,1,0,0|2,0,1]=4 6535 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [0,0,0,1,0,0|2,0,1]=4 6536 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [0,0,0,1,0,0|2,0,1]=4 6537 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [0,0,0,1,0,0|2,0,1]=4 6538 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,0,0,1,0,0|1,0,0]=2 6539 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,0,0,1,0,0|2,0,1]=4 6540 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,0,0,1,0,0|2,0,0]=3 6541 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,0,0,1,0,0|2,0,0]=3 6542 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,0,1,0,0|2,0,0]=3 6543 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,0,0,1,0,0|3,0,0]=4 6544 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,0,0,1,0,0|3,0,0]=4 6545 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,0,0,1,0,0|1,0,0]=2 6546 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,0,0,1,0,0|1,0,0]=2 6547 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,0,0,1,0,0|2,0,1]=4 6548 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,0,0,1,0,0|2,0,1]=4 6549 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,0,0,1,0,0|2,0,0]=3 6550 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,0,0,1,0,0|2,0,1]=4 6551 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,0,0,1,0,0|2,0,1]=4 6552 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,0,0,1,0,0|2,0,0]=3 6553 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,0,0,1,0,0|1,0,0]=2 6554 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,0,0,1,0,0|1,0,0]=2 6555 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,0,0,1,0,0|2,0,0]=3 6556 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,0,0,1,0,0|2,0,0]=3 6557 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [0,0,0,1,0,0|1,0,2]=4 6558 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [0,0,0,1,0,0|1,0,2]=4 6559 B9R1.33 CN1CCCC1CO[13CH3] 34a_100000743107_200025704644 [0,0,0,1,0,0|3,0,0]=4 6560 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,0,0,1,0,0|1,0,2]=4 6561 B9R1.33 COCC1CCCN1C 34a_100000743107_200000210301 [0,0,0,1,0,0|3,0,0]=4 6562 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,0,0,1,0,0|2,0,0]=3 6563 B9R1.33 COCN1CCC[C@@H]1C 2230a_100020605311_100000766300 [0,0,0,1,0,0|3,0,0]=4 6564 B9R1.33 COCN1CCC[C@@H]1C 269982a_100020605311_100000766300 [0,0,0,1,0,0|3,0,0]=4 6565 B9R1.33 COCN1CCC[C@H]1C 2230a_100015189458_100000766300 [0,0,0,1,0,0|3,0,0]=4 6566 B9R1.33 COCN1CCC[C@H]1C 269982a_100015189458_100000766300 [0,0,0,1,0,0|3,0,0]=4 6567 B9R1.33 COC[C@@H]1CCCN1C 2230a_100020646714_200000210301 [0,0,0,1,0,0|3,0,0]=4 6568 B9R1.33 COC[C@@H]1CCCN1C 269982a_100020646714_200000210301 [0,0,0,1,0,0|3,0,0]=4 6569 B9R1.33 COC[C@@H]1CCCN1C 34a_100020646714_200000210301 [0,0,0,1,0,0|3,0,0]=4 6570 B9R1.33 COC[C@@H]1CCCN1[13CH3] 2230a_100020646714_200025704644 [0,0,0,1,0,0|3,0,0]=4 6571 B9R1.33 COC[C@@H]1CCCN1[13CH3] 269982a_100020646714_200025704644 [0,0,0,1,0,0|3,0,0]=4 6572 B9R1.33 COC[C@@H]1CCCN1[13CH3] 34a_100020646714_200025704644 [0,0,0,1,0,0|3,0,0]=4 6573 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,0,0,1,0,0|2,0,0]=3 6574 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,0,0,1,0,0|2,0,0]=3 6575 B9R1.33 CSCN1CCC[C@@H]1C 2230a_100020605311_100011218213 [0,0,0,1,0,0|3,0,0]=4 6576 B9R1.33 CSCN1CCC[C@@H]1C 269982a_100020605311_100011218213 [0,0,0,1,0,0|3,0,0]=4 6577 B9R1.33 CSCN1CCC[C@H]1C 2230a_100015189458_100011218213 [0,0,0,1,0,0|3,0,0]=4 6578 B9R1.33 CSCN1CCC[C@H]1C 269982a_100015189458_100011218213 [0,0,0,1,0,0|3,0,0]=4 6579 B9R1.33 CSCN1CCC[C@H]1C 34a_100015189458_100011218213 [0,0,0,1,0,0|3,0,0]=4 6580 B9R1.33 C[C@@H]1CCCN1CC#N 2230a_100015189458_100011215382 [0,0,0,1,0,0|2,0,1]=4 6581 B9R1.33 C[C@@H]1CCCN1CC#N 269982a_100015189458_100011214920 [0,0,0,1,0,0|2,0,1]=4 6582 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [0,0,0,1,0,0|1,0,0]=2 6583 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [0,0,0,1,0,0|1,0,0]=2 6584 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [0,0,0,1,0,0|1,0,0]=2 6585 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [0,0,0,1,0,0|2,0,1]=4 6586 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [0,0,0,1,0,0|2,0,1]=4 6587 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [0,0,0,1,0,0|2,0,1]=4 6588 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [0,0,0,1,0,0|1,0,2]=4 6589 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [0,0,0,1,0,0|1,0,2]=4 6590 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [0,0,0,1,0,0|1,0,2]=4 6591 B9R1.33 C[C@H]1CCCN1CC#N 2230a_100020605311_100011215382 [0,0,0,1,0,0|2,0,1]=4 6592 B9R1.33 C[C@H]1CCCN1CC#N 269982a_100020605311_100011214920 [0,0,0,1,0,0|2,0,1]=4 6593 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [0,0,0,1,0,0|1,0,0]=2 6594 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [0,0,0,1,0,0|1,0,0]=2 6595 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [0,0,0,1,0,0|2,0,1]=4 6596 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [0,0,0,1,0,0|2,0,1]=4 6597 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [0,0,0,1,0,0|1,0,2]=4 6598 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [0,0,0,1,0,0|1,0,2]=4 6599 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,0,0,1,0,0|2,0,0]=3 6600 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [0,0,0,1,0,0|2,0,0]=3 6601 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [0,0,0,1,0,0|2,0,0]=3 6602 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [0,0,0,1,0,0|3,0,0]=4 6603 B9R1.33 O=C1NCC[C@@H]1OCF 34a_100000688343_100015361967 [0,0,0,1,0,0|3,0,0]=4 6604 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,0,0,1,0,0|3,0,0]=4 6605 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,0,0,1,0,0|3,0,0]=4 6606 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,0,0,1,0,0|1,0,2]=4 6607 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,0,0,1,0,0|2,0,0]=3 6608 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,0,0,1,0,0|2,0,0]=3 6609 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,0,0,1,0,0|2,0,0]=3 6610 B9R1.39 C#CCCN1CCC1C 269982a_100000755817_100000730999 [0,0,0,1,0,0|2,0,1]=4 6611 B9R1.39 C#CCCN1CCC1C 34a_100000755817_100000688953 [0,0,0,1,0,0|2,0,1]=4 6612 B9R1.39 C#CCNC1CCC1=O 34a_100000212058_100009892977 [0,0,0,1,0,0|1,0,2]=4 6613 B9R1.39 C#CCOC1CCC1=O 34a_100000210247_100009892977 [0,0,0,1,0,0|1,0,2]=4 6614 B9R1.39 C#CCSC1CCC1=O 62a_100000038162_100009892977 [0,0,0,1,0,0|1,0,2]=4 6615 B9R1.39 C/C=C/CN1CCC1C 269982a_100000755817_100102629194 [0,0,0,1,0,0|2,0,1]=4 6616 B9R1.39 C/C=C/CN1CCC1C 34a_100000755817_100102629194 [0,0,0,1,0,0|2,0,1]=4 6617 B9R1.39 C=CCCN1CCC1C 269982a_100000755817_100000754431 [0,0,0,1,0,0|2,0,0]=3 6618 B9R1.39 C=CCCN1CCC1C 34a_100000755817_100000754431 [0,0,0,1,0,0|2,0,0]=3 6619 B9R1.39 C=CCOC1CCC1=O 34a_200000210373_100009892977 [0,0,0,1,0,0|1,0,2]=4 6620 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [0,0,0,1,0,0|1,0,2]=4 6621 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [0,0,0,1,0,0|1,0,2]=4 6622 B9R1.39 CC1CCN1CCC#N 269982a_100000755817_100011215226 [0,0,0,1,0,0|2,0,1]=4 6623 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [0,0,0,1,0,0|2,0,1]=4 6624 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [0,0,0,1,0,0|2,0,1]=4 6625 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [0,0,0,1,0,0|1,0,2]=4 6626 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [0,0,0,1,0,0|1,0,2]=4 6627 B9R1.39 CC=CCN1CCC1C 34a_100000755817_100000070051 [0,0,0,1,0,0|2,0,1]=4 6628 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,0,0,1,0,0|2,0,1]=4 6629 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,0,0,1,0,0|2,0,1]=4 6630 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|1,0,0]=2 6631 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|1,0,0]=2 6632 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|1,0,0]=2 6633 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|1,0,0]=2 6634 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|1,0,0]=2 6635 B9R1.39 COCCN1CCC1C 269982a_100000755817_100000233755 [0,0,0,1,0,0|3,0,0]=4 6636 B9R1.39 COCCN1CCC1C 34a_100000755817_100011201679 [0,0,0,1,0,0|3,0,0]=4 6637 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,0,0,1,0,0|2,0,0]=3 6638 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,0,0,1,0,0|2,0,0]=3 6639 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|1,0,0]=2 6640 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|1,0,0]=2 6641 B9R1.39 CSCCN1CCC1C 269982a_100000755817_100000212216 [0,0,0,1,0,0|3,0,0]=4 6642 B9R1.39 CSCCN1CCC1C 34a_100000755817_100000212216 [0,0,0,1,0,0|3,0,0]=4 6643 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,0,0,1,0,0|2,0,0]=3 6644 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,0,0,1,0,0|2,0,0]=3 6645 B9R1.39 N#CCSC1CCC1=O 62a_100009892977_100011215382 [0,0,0,1,0,0|2,0,1]=4 6646 B9R1.39 N#CCSC1CCC1=O 62a_100011215382_100009892977 [0,0,0,1,0,0|2,0,1]=4 6647 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,0,0,1,0,0|2,0,0]=3 6648 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,0,0,1,0,0|2,0,0]=3 6649 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,0,0,1,0,0|2,0,0]=3 6650 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,0,0,1,0,0|2,0,0]=3 6651 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,0,0,1,0,0|2,0,0]=3 6652 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,0,0,1,0,0|2,0,0]=3 6653 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,0,1,0,0|2,0,0]=3 6654 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,0,1,0,0|2,0,0]=3 6655 B9R1.39 O=CCSC1CCC1=O 62a_100009892977_200015260668 [0,0,0,1,0,0|2,0,1]=4 6656 B9R1.39 O=CCSC1CCC1=O 62a_200015260668_100009892977 [0,0,0,1,0,0|2,0,1]=4 6657 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|1,0,0]=2 6658 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|1,0,0]=2 6659 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 6660 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 6661 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 6662 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 6663 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 6664 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 6665 B9R1.83 BrCCCCOC1CC1 34a_100011216708_100000211595 [0,0,0,1,0,0|2,0,1]=4 6666 B9R1.83 BrCCCOCC1CC1 34a_100011217188_100000742324 [0,0,0,1,0,0|2,0,1]=4 6667 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [0,0,0,1,0,0|2,0,1]=4 6668 B9R1.83 C#CCCCNC1CC1 34a_100000212008_100000695029 [0,0,0,1,0,0|2,0,1]=4 6669 B9R1.83 C#CCCCNC1CC1 34a_100000718082_100000211595 [0,0,0,1,0,0|2,0,1]=4 6670 B9R1.83 C#CCCCOC1CC1 34a_100000215630_100000211595 [0,0,0,1,0,0|2,0,1]=4 6671 B9R1.83 C#CCCCSC1CC1 62a_100011215417_100000211595 [0,0,0,1,0,0|2,0,1]=4 6672 B9R1.83 C#CCCNCC1CC1 2230a_100000735609_100000688953 [0,0,0,1,0,0|2,0,1]=4 6673 B9R1.83 C#CCCNCC1CC1 34a_100000735609_100000688953 [0,0,0,1,0,0|2,0,1]=4 6674 B9R1.83 C#CCCNCC1CC1 34a_100000755551_100000742324 [0,0,0,1,0,0|2,0,1]=4 6675 B9R1.83 C#CCCOCC1CC1 34a_100000211283_100000688953 [0,0,0,1,0,0|2,0,1]=4 6676 B9R1.83 C#CCCOCC1CC1 34a_100011215631_100000742324 [0,0,0,1,0,0|2,0,1]=4 6677 B9R1.83 C#CCCSCC1CC1 62a_100000688953_100000742324 [0,0,0,1,0,0|2,0,1]=4 6678 B9R1.83 C#CCCSCC1CC1 62a_100000756562_100000688953 [0,0,0,1,0,0|2,0,1]=4 6679 B9R1.83 C#CCNCCC1CC1 34a_100000212058_100000694398 [0,0,0,1,0,0|2,0,1]=4 6680 B9R1.83 C#CCNCCC1CC1 34a_100000764129_100000184674 [0,0,0,1,0,0|2,0,1]=4 6681 B9R1.83 C#CCOCCC1CC1 34a_100000210247_100000694398 [0,0,0,1,0,0|2,0,1]=4 6682 B9R1.83 C#CCOCCC1CC1 34a_100000754188_100000184674 [0,0,0,1,0,0|2,0,1]=4 6683 B9R1.83 C#CCOCCC1CC1 7a_100000754188_100000038162 [0,0,0,1,0,0|2,0,1]=4 6684 B9R1.83 C#CCSCCC1CC1 62a_100000038162_100000764125 [0,0,0,1,0,0|2,0,1]=4 6685 B9R1.83 C/C=C/CCOC1CC1 34a_100016278192_100000211595 [0,0,0,1,0,0|2,0,1]=4 6686 B9R1.83 C/C=C/CNCC1CC1 34a_100000735609_100102629194 [0,0,0,1,0,0|2,0,1]=4 6687 B9R1.83 C/C=C/COCC1CC1 34a_100000211283_100102629194 [0,0,0,1,0,0|2,0,1]=4 6688 B9R1.83 C/C=C/COCC1CC1 34a_100016270725_100000742324 [0,0,0,1,0,0|2,0,1]=4 6689 B9R1.83 C/C=C/CSCC1CC1 62a_100000756562_100102629194 [0,0,0,1,0,0|2,0,1]=4 6690 B9R1.83 C/C=C/CSCC1CC1 62a_100102629194_100000742324 [0,0,0,1,0,0|2,0,1]=4 6691 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [0,0,0,1,0,0|2,0,0]=3 6692 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [0,0,0,1,0,0|2,0,0]=3 6693 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [0,0,0,1,0,0|2,0,0]=3 6694 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [0,0,0,1,0,0|2,0,0]=3 6695 B9R1.83 C=CCCNCC1CC1 2230a_100000735609_100000754431 [0,0,0,1,0,0|2,0,0]=3 6696 B9R1.83 C=CCCNCC1CC1 2230a_100015191253_100000742324 [0,0,0,1,0,0|2,0,0]=3 6697 B9R1.83 C=CCCNCC1CC1 269862a_100015191253_100000741477 [0,0,0,1,0,0|2,0,0]=3 6698 B9R1.83 C=CCCNCC1CC1 34a_100000735609_100000754431 [0,0,0,1,0,0|2,0,0]=3 6699 B9R1.83 C=CCCNCC1CO1 2230a_100015191253_100011216344 [0,0,0,1,0,0|3,0,0]=4 6700 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [0,0,0,1,0,0|2,0,0]=3 6701 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [0,0,0,1,0,0|2,0,0]=3 6702 B9R1.83 C=CCCOCC1CO1 34a_100011205117_102125554688 [0,0,0,1,0,0|3,0,0]=4 6703 B9R1.83 C=CCCOC[C@@H]1CO1 34a_100000757423_100000754431 [0,0,0,1,0,0|3,0,0]=4 6704 B9R1.83 C=CCCSCC1CC1 62a_100000754431_100000742324 [0,0,0,1,0,0|2,0,0]=3 6705 B9R1.83 C=CCCSCC1CC1 62a_100000756562_100000754431 [0,0,0,1,0,0|2,0,0]=3 6706 B9R1.83 C=CCCSCC1CO1 62a_100000754431_102125554688 [0,0,0,1,0,0|3,0,0]=4 6707 B9R1.83 C=CCCSCC1CO1 62a_102125554688_100000754431 [0,0,0,1,0,0|3,0,0]=4 6708 B9R1.83 C=CCCSCC1CS1 62a_100000031435_100000754431 [0,0,0,1,0,0|3,0,0]=4 6709 B9R1.83 C=CCCSCC1CS1 62a_100000754431_100000031435 [0,0,0,1,0,0|3,0,0]=4 6710 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000745022_100000754431 [0,0,0,1,0,0|3,0,0]=4 6711 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000754431_100000745022 [0,0,0,1,0,0|3,0,0]=4 6712 B9R1.83 C=CCNCCC1CC1 2230a_100020586998_100000694398 [0,0,0,1,0,0|2,0,0]=3 6713 B9R1.83 C=CCNCCC1CC1 34a_100000764129_100015514636 [0,0,0,1,0,0|2,0,0]=3 6714 B9R1.83 C=CCNCCC1CO1 2230a_100020586998_100000732470 [0,0,0,1,0,0|3,0,0]=4 6715 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [0,0,0,1,0,0|2,0,0]=3 6716 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [0,0,0,1,0,0|2,0,0]=3 6717 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [0,0,0,1,0,0|2,0,0]=3 6718 B9R1.83 C=CCOCCC1CO1 34a_200000210373_100000732470 [0,0,0,1,0,0|3,0,0]=4 6719 B9R1.83 C=CCOCC[C@@H]1CO1 34a_100009820653_100015514636 [0,0,0,1,0,0|3,0,0]=4 6720 B9R1.83 C=CCSCCC1CC1 62a_100000210623_100000764125 [0,0,0,1,0,0|2,0,0]=3 6721 B9R1.83 C=CCSCCC1CC1 62a_100000764125_100000210623 [0,0,0,1,0,0|2,0,0]=3 6722 B9R1.83 C=CCSCCC1CO1 62a_100000210623_100000732470 [0,0,0,1,0,0|3,0,0]=4 6723 B9R1.83 C=CCSCCC1CO1 62a_100000732470_100000210623 [0,0,0,1,0,0|3,0,0]=4 6724 B9R1.83 C=COCCNC1CC1 34a_100000212008_100000039644 [0,0,0,1,0,0|3,0,0]=4 6725 B9R1.83 C=COCCOC1CC1 34a_100000033082_100000211595 [0,0,0,1,0,0|3,0,0]=4 6726 B9R1.83 C=COCCSC1CC1 62a_100000039644_100000211595 [0,0,0,1,0,0|3,0,0]=4 6727 B9R1.83 CC=CCNCC1CC1 2230a_100000735609_100000070051 [0,0,0,1,0,0|2,0,1]=4 6728 B9R1.83 CC=CCNCC1CC1 34a_100000735609_100000070051 [0,0,0,1,0,0|2,0,1]=4 6729 B9R1.83 CC=CCOCC1CC1 34a_100000211283_100000070051 [0,0,0,1,0,0|2,0,1]=4 6730 B9R1.83 CC=CCSCC1CC1 62a_100000070051_100000742324 [0,0,0,1,0,0|2,0,1]=4 6731 B9R1.83 CC=CCSCC1CC1 62a_100000756562_100000070051 [0,0,0,1,0,0|2,0,1]=4 6732 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [0,0,0,1,0,0|2,0,1]=4 6733 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [0,0,0,1,0,0|2,0,1]=4 6734 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [0,0,0,1,0,0|2,0,1]=4 6735 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [0,0,0,1,0,0|2,0,1]=4 6736 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [0,0,0,1,0,0|2,0,1]=4 6737 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [0,0,0,1,0,0|2,0,1]=4 6738 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [0,0,0,1,0,0|2,0,1]=4 6739 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [0,0,0,1,0,0|2,0,1]=4 6740 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [0,0,0,1,0,0|1,0,2]=4 6741 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [0,0,0,1,0,0|1,0,2]=4 6742 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [0,0,0,1,0,0|1,1,1]=4 6743 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [0,0,0,1,0,0|1,0,2]=4 6744 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [0,0,0,1,0,0|2,0,1]=4 6745 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [0,0,0,1,0,0|2,0,1]=4 6746 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [0,0,0,1,0,0|2,0,1]=4 6747 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [0,0,0,1,0,0|1,0,2]=4 6748 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [0,0,0,1,0,0|1,0,2]=4 6749 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [0,0,0,1,0,0|1,1,1]=4 6750 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [0,0,0,1,0,0|1,0,2]=4 6751 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [0,0,0,1,0,0|1,0,2]=4 6752 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [0,0,0,1,0,0|2,0,1]=4 6753 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [0,0,0,1,0,0|2,0,1]=4 6754 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,0,0,1,0,0|1,0,2]=4 6755 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,0,0,1,0,0|1,0,2]=4 6756 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [0,0,0,1,0,0|1,1,1]=4 6757 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [0,0,0,1,0,0|1,1,1]=4 6758 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,0,0,1,0,0|1,0,2]=4 6759 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,0,0,1,0,0|1,0,2]=4 6760 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [0,0,0,1,0,0|2,0,1]=4 6761 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [0,0,0,1,0,0|2,0,1]=4 6762 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [0,0,0,1,0,0|2,0,1]=4 6763 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [0,0,0,1,0,0|2,0,1]=4 6764 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [0,0,0,1,0,0|1,0,2]=4 6765 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [0,0,0,1,0,0|1,0,2]=4 6766 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [0,0,0,1,0,0|2,0,1]=4 6767 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [0,0,0,1,0,0|2,0,1]=4 6768 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,0,0,1,0,0|1,0,2]=4 6769 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,0,0,1,0,0|1,0,2]=4 6770 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [0,0,0,1,0,0|1,0,2]=4 6771 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [0,0,0,1,0,0|1,0,2]=4 6772 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [0,0,0,1,0,0|1,0,2]=4 6773 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [0,0,0,1,0,0|1,0,2]=4 6774 B9R1.83 CNCCCOC1CC1 34a_100000213112_100000211595 [0,0,0,1,0,0|3,0,0]=4 6775 B9R1.83 COCCCNC1CC1 34a_100000212008_100000740836 [0,0,0,1,0,0|3,0,0]=4 6776 B9R1.83 COCCCNC1CC1 34a_100150723488_100000211595 [0,0,0,1,0,0|3,0,0]=4 6777 B9R1.83 COCCCOC1CC1 34a_100000740835_100000211595 [0,0,0,1,0,0|3,0,0]=4 6778 B9R1.83 COCCCSC1CC1 62a_100000709357_100000211595 [0,0,0,1,0,0|3,0,0]=4 6779 B9R1.83 COCCNCC1CC1 2230a_100000209980_100000742324 [0,0,0,1,0,0|3,0,0]=4 6780 B9R1.83 COCCNCC1CC1 2230a_100000735609_100011201679 [0,0,0,1,0,0|3,0,0]=4 6781 B9R1.83 COCCNCC1CC1 269862a_100000209980_100000741477 [0,0,0,1,0,0|3,0,0]=4 6782 B9R1.83 COCCNCC1CC1 34a_100000735609_100011201679 [0,0,0,1,0,0|3,0,0]=4 6783 B9R1.83 COCCOCC1CC1 34a_100000210237_100000742324 [0,0,0,1,0,0|3,0,0]=4 6784 B9R1.83 COCCOCC1CC1 34a_100000211283_100011201679 [0,0,0,1,0,0|3,0,0]=4 6785 B9R1.83 COCCSCC1CC1 62a_100000233755_100000742324 [0,0,0,1,0,0|3,0,0]=4 6786 B9R1.83 COCCSCC1CC1 62a_100000756562_100000233755 [0,0,0,1,0,0|3,0,0]=4 6787 B9R1.83 COCSCCC1CC1 62a_100000764125_100000766300 [0,0,0,1,0,0|3,0,0]=4 6788 B9R1.83 COCSCCC1CC1 62a_100000766300_100000764125 [0,0,0,1,0,0|3,0,0]=4 6789 B9R1.83 CSCCCOC1CC1 34a_100000690336_100000211595 [0,0,0,1,0,0|3,0,0]=4 6790 B9R1.83 CSCCNCC1CC1 2230a_100000735609_100000751147 [0,0,0,1,0,0|3,0,0]=4 6791 B9R1.83 CSCCNCC1CC1 2230a_100020590264_100000742324 [0,0,0,1,0,0|3,0,0]=4 6792 B9R1.83 CSCCNCC1CC1 269862a_100020590264_100000741477 [0,0,0,1,0,0|3,0,0]=4 6793 B9R1.83 CSCCNCC1CC1 34a_100000735609_100000212216 [0,0,0,1,0,0|3,0,0]=4 6794 B9R1.83 CSCCOCC1CC1 34a_100000211283_100000212216 [0,0,0,1,0,0|3,0,0]=4 6795 B9R1.83 CSCCOCC1CC1 34a_100000230434_100000742324 [0,0,0,1,0,0|3,0,0]=4 6796 B9R1.83 CSCCOCC1CC1 7a_100000230434_100000742324 [0,0,0,1,0,0|3,0,0]=4 6797 B9R1.83 CSCCSCC1CC1 62a_100000212216_100000742324 [0,0,0,1,0,0|3,0,0]=4 6798 B9R1.83 CSCCSCC1CC1 62a_100000756562_100000751147 [0,0,0,1,0,0|3,0,0]=4 6799 B9R1.83 CSCNCCC1CC1 34a_100000764129_100011218213 [0,0,0,1,0,0|3,0,0]=4 6800 B9R1.83 CSCOCCC1CC1 34a_100000754188_100011218213 [0,0,0,1,0,0|3,0,0]=4 6801 B9R1.83 CSCSCCC1CC1 62a_100000764125_100011218213 [0,0,0,1,0,0|3,0,0]=4 6802 B9R1.83 CSCSCCC1CC1 62a_100011218213_100000764125 [0,0,0,1,0,0|3,0,0]=4 6803 B9R1.83 ClCCCCOC1CC1 34a_100000210776_100000211595 [0,0,0,1,0,0|2,0,1]=4 6804 B9R1.83 ClCCCOCC1CC1 34a_100000230001_100000742324 [0,0,0,1,0,0|2,0,1]=4 6805 B9R1.83 FCCCCNC1CC1 34a_100000212008_100000729493 [0,0,0,1,0,0|2,0,1]=4 6806 B9R1.83 FCCCCOC1CC1 34a_100011995726_100000211595 [0,0,0,1,0,0|2,0,1]=4 6807 B9R1.83 FCCCCSC1CC1 62a_100000729493_100000211595 [0,0,0,1,0,0|2,0,1]=4 6808 B9R1.83 FCCCNCC1CC1 2230a_100000735609_100011934791 [0,0,0,1,0,0|2,0,1]=4 6809 B9R1.83 FCCCNCC1CC1 2230a_100015189416_100000742324 [0,0,0,1,0,0|2,0,1]=4 6810 B9R1.83 FCCCNCC1CC1 269862a_100015189416_100000741477 [0,0,0,1,0,0|2,0,1]=4 6811 B9R1.83 FCCCNCC1CC1 34a_100000735609_100011934791 [0,0,0,1,0,0|2,0,1]=4 6812 B9R1.83 FCCCNCC1CC1 34a_100015189416_100000742324 [0,0,0,1,0,0|2,0,1]=4 6813 B9R1.83 FCCCOCC1CC1 34a_100000211283_100011934791 [0,0,0,1,0,0|2,0,1]=4 6814 B9R1.83 FCCCOCC1CC1 34a_100000759539_100000742324 [0,0,0,1,0,0|2,0,1]=4 6815 B9R1.83 FCCCSCC1CC1 62a_100000756562_100011934791 [0,0,0,1,0,0|2,0,1]=4 6816 B9R1.83 FCCCSCC1CC1 62a_100011934791_100000742324 [0,0,0,1,0,0|2,0,1]=4 6817 B9R1.83 FCCNCCC1CC1 34a_100000724931_100000694398 [0,0,0,1,0,0|2,0,1]=4 6818 B9R1.83 FCCNCCC1CC1 34a_100000764129_100011217306 [0,0,0,1,0,0|2,0,1]=4 6819 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [0,0,0,1,0,0|2,0,1]=4 6820 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [0,0,0,1,0,0|2,0,1]=4 6821 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [0,0,0,1,0,0|2,0,1]=4 6822 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [0,0,0,1,0,0|2,0,1]=4 6823 B9R1.83 ICCCCOC1CC1 34a_200012148704_100000211595 [0,0,0,1,0,0|2,0,1]=4 6824 B9R1.83 N#CCCCSC1CC1 62a_100000687738_100000211595 [0,0,0,1,0,0|2,0,1]=4 6825 B9R1.83 N#CCCNCC1CC1 2230a_100000735609_100011215226 [0,0,0,1,0,0|2,0,1]=4 6826 B9R1.83 N#CCCSCC1CC1 62a_100000756562_100011215226 [0,0,0,1,0,0|2,0,1]=4 6827 B9R1.83 N#CCCSCC1CC1 62a_100011215226_100000742324 [0,0,0,1,0,0|2,0,1]=4 6828 B9R1.83 N#CCOCCC1CC1 7a_100000754188_100011215382 [0,0,0,1,0,0|2,0,1]=4 6829 B9R1.83 N#CCSCCC1CC1 62a_100000764125_100011215382 [0,0,0,1,0,0|2,0,1]=4 6830 B9R1.83 N#CCSCCC1CC1 62a_100011215382_100000764125 [0,0,0,1,0,0|2,0,1]=4 6831 B9R1.83 NCCCCOC1CC1 34a_100000750430_100000211595 [0,0,0,1,0,0|2,0,1]=4 6832 B9R1.83 NCCCOCC1CC1 34a_100000182051_100000742324 [0,0,0,1,0,0|2,0,1]=4 6833 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [0,0,0,1,0,0|2,0,1]=4 6834 B9R1.83 NOCCOCC1CC1 34a_100000700252_100000742324 [0,0,0,1,0,0|3,0,0]=4 6835 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [0,0,0,1,0,0|1,0,0]=2 6836 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [0,0,0,1,0,0|1,0,0]=2 6837 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [0,0,0,1,0,0|1,0,0]=2 6838 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [0,0,0,1,0,0|1,0,0]=2 6839 B9R1.83 O=CCOCC[C@@H]1CO1 34a_100009820653_200009817547 [0,0,0,1,0,0|2,0,0]=3 6840 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [0,0,0,1,0,0|1,0,0]=2 6841 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [0,0,0,1,0,0|1,0,0]=2 6842 B9R1.83 O=CCSCCC1CO1 62a_100000732470_200015260668 [0,0,0,1,0,0|2,0,0]=3 6843 B9R1.83 O=CCSCCC1CO1 62a_200015260668_100000732470 [0,0,0,1,0,0|2,0,0]=3 6844 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [0,0,0,1,0,0|1,0,2]=4 6845 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [0,0,0,1,0,0|1,0,2]=4 6846 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [0,0,0,1,0,0|1,0,2]=4 6847 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [0,0,0,1,0,0|1,0,2]=4 6848 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [0,0,0,1,0,0|1,0,2]=4 6849 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [0,0,0,1,0,0|1,0,2]=4 6850 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [0,0,0,1,0,0|1,0,2]=4 6851 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [0,0,0,1,0,0|1,0,2]=4 6852 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [0,0,0,1,0,0|1,0,2]=4 6853 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [0,0,0,1,0,0|1,0,2]=4 6854 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [0,0,0,1,0,0|1,0,2]=4 6855 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [0,0,0,1,0,0|1,0,2]=4 6856 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [0,0,0,1,0,0|1,0,2]=4 6857 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [0,0,0,1,0,0|1,0,2]=4 6858 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [0,0,0,1,0,0|1,0,2]=4 6859 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [0,0,0,1,0,0|1,0,2]=4 6860 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,0,0,1,0,0|2,0,1]=4 6861 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,0,0,1,0,0|2,0,1]=4 6862 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,0,0,1,0,0|2,0,1]=4 6863 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,0,0,1,0,0|2,0,0]=3 6864 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,0,0,1,0,0|2,0,0]=3 6865 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,0,0,1,0,0|2,0,0]=3 6866 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,0,0,1,0,0|2,0,0]=3 6867 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [0,0,0,1,0,0|3,0,0]=4 6868 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,0,0,1,0,0|2,0,0]=3 6869 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,0,0,1,0,0|2,0,0]=3 6870 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,0,0,1,0,0|2,0,0]=3 6871 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,0,0,1,0,0|2,0,0]=3 6872 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,0,0,1,0,0|2,0,0]=3 6873 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,0,0,1,0,0|2,0,1]=4 6874 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,0,0,1,0,0|2,0,1]=4 6875 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,0,0,1,0,0|2,0,0]=3 6876 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,0,0,1,0,0|2,0,0]=3 6877 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,0,0,1,0,0|2,0,0]=3 6878 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,0,0,1,0,0|2,0,0]=3 6879 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,0,0,1,0,0|2,0,0]=3 6880 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,0,0,1,0,0|2,0,0]=3 6881 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 6882 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 6883 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 6884 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 6885 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 6886 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 6887 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 6888 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 6889 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|1,0,1]=4 6890 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 6891 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 6892 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 6893 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,1]=4 6894 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,1]=4 6895 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,1]=4 6896 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,1]=4 6897 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,1]=4 6898 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,1]=4 6899 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,1]=4 6900 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,1]=4 6901 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,1]=4 6902 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,1]=4 6903 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,1]=4 6904 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,1]=4 6905 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,1]=4 6906 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,1]=4 6907 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,1]=4 6908 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,0]=3 6909 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 6910 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,0]=3 6911 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 6912 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,0]=3 6913 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 6914 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,0]=3 6915 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 6916 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 6917 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 6918 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,0]=3 6919 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,0]=3 6920 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,0]=3 6921 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,0]=3 6922 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,0]=3 6923 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,0]=3 6924 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,0]=3 6925 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 6926 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 6927 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,0]=3 6928 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 6929 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 6930 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 6931 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,0]=3 6932 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,0]=3 6933 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 6934 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 6935 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 6936 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,1]=4 6937 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,1]=4 6938 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 6939 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 6940 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,0]=3 6941 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|2,0,0]=4 6942 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|2,0,0]=4 6943 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,1]=4 6944 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|2,0,0]=4 6945 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 6946 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 6947 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,0]=3 6948 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|2,0,0]=4 6949 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|2,0,0]=4 6950 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,1]=4 6951 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,1]=4 6952 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|2,0,0]=4 6953 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|2,0,0]=4 6954 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|2,0,0]=4 6955 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|2,0,0]=4 6956 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 6957 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 6958 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 6959 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,1]=4 6960 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|2,0,0]=4 6961 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|2,0,0]=4 6962 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|2,0,0]=4 6963 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|2,0,0]=4 6964 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 6965 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 6966 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 6967 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 6968 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 6969 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 6970 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 6971 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 6972 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|2,0,0]=4 6973 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 6974 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 6975 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 6976 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 6977 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 6978 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|2,0,0]=4 6979 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|2,0,0]=4 6980 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|2,0,0]=4 6981 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 6982 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 6983 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 6984 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 6985 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|2,0,0]=4 6986 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|2,0,0]=4 6987 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|2,0,0]=4 6988 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 6989 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|2,0,0]=4 6990 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|2,0,0]=4 6991 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|2,0,0]=4 6992 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|2,0,0]=4 6993 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 6994 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 6995 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,1]=4 6996 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,1]=4 6997 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|2,0,0]=4 6998 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 6999 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|2,0,0]=4 7000 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 7001 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|2,0,0]=4 7002 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 7003 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|2,0,0]=4 7004 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|2,0,0]=4 7005 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|2,0,0]=4 7006 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 7007 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 7008 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 7009 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|2,0,0]=4 7010 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|2,0,0]=4 7011 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|2,0,0]=4 7012 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|2,0,0]=4 7013 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|2,0,0]=4 7014 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|2,0,0]=4 7015 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 7016 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 7017 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 7018 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 7019 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 7020 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 7021 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 7022 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 7023 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,1]=4 7024 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 7025 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 7026 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|2,0,0]=4 7027 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|2,0,0]=4 7028 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|2,0,0]=4 7029 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 7030 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|2,0,0]=4 7031 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|2,0,0]=4 7032 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|2,0,0]=4 7033 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 7034 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 7035 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 7036 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|2,0,0]=4 7037 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 7038 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|2,0,0]=4 7039 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 7040 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,1]=4 7041 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|2,0,0]=4 7042 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|2,0,0]=4 7043 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|2,0,0]=4 7044 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|2,0,0]=4 7045 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 7046 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|2,0,0]=4 7047 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|2,0,0]=4 7048 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 7049 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|2,0,0]=4 7050 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|2,0,0]=4 7051 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 7052 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 7053 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 7054 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 7055 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|2,0,0]=4 7056 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|2,0,0]=4 7057 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 7058 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,1]=4 7059 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|2,0,0]=4 7060 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 7061 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 7062 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 7063 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 7064 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 7065 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 7066 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 7067 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 7068 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 7069 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 7070 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 7071 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 7072 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 7073 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 7074 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 7075 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|2,0,0]=4 7076 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 7077 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 7078 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 7079 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 7080 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|2,0,0]=4 7081 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 7082 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 7083 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 7084 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|2,0,0]=4 7085 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|2,0,0]=4 7086 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 7087 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,1]=4 7088 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|0,0,2]=4 7089 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|0,0,2]=4 7090 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [1,1,0,0,0,0|1,0,1]=4 7091 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [1,1,0,0,0,0|1,0,1]=4 7092 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|0,0,2]=4 7093 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|0,0,2]=4 7094 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [1,1,0,0,0,0|1,0,1]=4 7095 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,1,0,0,0,0|1,0,1]=4 7096 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,1,0,0,0,0|1,0,1]=4 7097 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [1,1,0,0,0,0|1,0,1]=4 7098 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [1,1,0,0,0,0|1,0,1]=4 7099 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [1,1,0,0,0,0|1,0,1]=4 7100 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [1,1,0,0,0,0|1,0,1]=4 7101 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [1,1,0,0,0,0|1,0,1]=4 7102 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [1,1,0,0,0,0|1,0,1]=4 7103 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [1,1,0,0,0,0|1,0,1]=4 7104 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [1,1,0,0,0,0|1,0,1]=4 7105 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [1,1,0,0,0,0|1,0,1]=4 7106 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [1,1,0,0,0,0|1,0,1]=4 7107 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [1,1,0,0,0,0|1,0,1]=4 7108 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [1,1,0,0,0,0|1,0,1]=4 7109 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [1,1,0,0,0,0|1,0,1]=4 7110 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [1,1,0,0,0,0|1,0,1]=4 7111 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [1,1,0,0,0,0|1,0,1]=4 7112 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [1,1,0,0,0,0|1,0,1]=4 7113 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [1,1,0,0,0,0|1,0,1]=4 7114 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [1,1,0,0,0,0|1,0,1]=4 7115 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [1,1,0,0,0,0|1,0,1]=4 7116 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [1,1,0,0,0,0|2,0,0]=4 7117 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [1,1,0,0,0,0|2,0,0]=4 7118 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [1,1,0,0,0,0|2,0,0]=4 7119 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|1,0,1]=4 7120 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|0,0,2]=4 7121 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|1,0,1]=4 7122 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|1,0,1]=4 7123 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|1,0,1]=4 7124 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|1,0,1]=4 7125 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,1,0,0,0,0|1,0,1]=4 7126 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,1,0,0,0,0|1,0,1]=4 7127 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 7128 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,1]=4 7129 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 7130 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 7131 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 7132 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,1,0,0,0,0|1,0,1]=4 7133 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,1,0,0,0,0|1,0,1]=4 7134 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [1,1,0,0,0,0|2,0,0]=4 7135 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [1,1,0,0,0,0|2,0,0]=4 7136 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [1,1,0,0,0,0|1,0,0]=3 7137 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [1,1,0,0,0,0|2,0,0]=4 7138 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [1,1,0,0,0,0|2,0,0]=4 7139 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [1,1,0,0,0,0|1,0,1]=4 7140 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [1,1,0,0,0,0|1,0,1]=4 7141 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [1,1,0,0,0,0|1,0,1]=4 7142 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [1,1,0,0,0,0|1,0,1]=4 7143 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [1,1,0,0,0,0|1,0,0]=3 7144 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [1,1,0,0,0,0|1,0,0]=3 7145 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [1,1,0,0,0,0|2,0,0]=4 7146 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [1,1,0,0,0,0|2,0,0]=4 7147 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [1,1,0,0,0,0|2,0,0]=4 7148 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [1,1,0,0,0,0|2,0,0]=4 7149 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,1,0,0,0,0|1,0,1]=4 7150 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,1,0,0,0,0|1,0,1]=4 7151 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [1,1,0,0,0,0|1,0,0]=3 7152 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [1,1,0,0,0,0|1,0,0]=3 7153 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [1,1,0,0,0,0|2,0,0]=4 7154 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [1,1,0,0,0,0|2,0,0]=4 7155 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [1,1,0,0,0,0|1,0,1]=4 7156 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [1,1,0,0,0,0|1,0,1]=4 7157 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|0,0,2]=4 7158 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|0,0,2]=4 7159 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|1,0,1]=4 7160 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|0,0,2]=4 7161 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|0,0,2]=4 7162 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 7163 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 7164 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 7165 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 7166 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|1,0,1]=4 7167 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|1,0,1]=4 7168 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|1,0,1]=4 7169 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 7170 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,1]=4 7171 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 7172 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 7173 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 7174 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|1,0,1]=4 7175 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|1,0,1]=4 7176 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [1,1,0,0,0,0|2,0,0]=4 7177 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [1,1,0,0,0,0|2,0,0]=4 7178 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|1,0,0]=3 7179 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|1,0,0]=3 7180 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,1,0,0,0,0|1,0,1]=4 7181 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,1,0,0,0,0|1,0,1]=4 7182 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,1,0,0,0,0|1,0,1]=4 7183 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,1,0,0,0,0|1,0,1]=4 7184 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,1,0,0,0,0|1,0,1]=4 7185 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,1,0,0,0,0|1,0,1]=4 7186 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [1,1,0,0,0,0|2,0,0]=4 7187 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [1,1,0,0,0,0|2,0,0]=4 7188 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [1,1,0,0,0,0|1,0,1]=4 7189 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [1,1,0,0,0,0|1,0,1]=4 7190 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [1,1,0,0,0,0|1,0,1]=4 7191 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [1,1,0,0,0,0|1,0,1]=4 7192 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [1,1,0,0,0,0|1,0,1]=4 7193 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [1,1,0,0,0,0|1,0,1]=4 7194 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,1,0,0,0,0|1,0,1]=4 7195 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,1,0,0,0,0|1,0,1]=4 7196 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [1,1,0,0,0,0|1,0,1]=4 7197 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [1,1,0,0,0,0|1,0,1]=4 7198 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 7199 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 7200 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [1,1,0,0,0,0|2,0,0]=4 7201 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [1,1,0,0,0,0|2,0,0]=4 7202 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 7203 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [1,1,0,0,0,0|1,0,1]=4 7204 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 7205 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [1,1,0,0,0,0|1,0,1]=4 7206 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,1,0,0,0,0|1,0,1]=4 7207 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,1,0,0,0,0|1,0,1]=4 7208 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 7209 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 7210 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [1,1,0,0,0,0|2,0,0]=4 7211 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,1,0,0,0,0|1,0,1]=4 7212 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,1,0,0,0,0|1,0,1]=4 7213 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,1,0,0,0,0|1,0,1]=4 7214 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,1,0,0,0,0|1,0,1]=4 7215 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,1,0,0,0,0|1,0,1]=4 7216 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,1,0,0,0,0|1,0,1]=4 7217 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [1,1,0,0,0,0|1,0,1]=4 7218 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [1,1,0,0,0,0|1,0,1]=4 7219 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|1,0,1]=4 7220 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|1,0,1]=4 7221 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,1]=4 7222 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [1,1,0,0,0,0|2,0,0]=4 7223 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 7224 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 7225 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [1,1,0,0,0,0|2,0,0]=4 7226 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 7227 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 7228 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [1,1,0,0,0,0|1,0,1]=4 7229 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [1,1,0,0,0,0|1,0,1]=4 7230 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [1,1,0,0,0,0|2,0,0]=4 7231 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [1,1,0,0,0,0|2,0,0]=4 7232 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [1,1,0,0,0,0|2,0,0]=4 7233 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [1,1,0,0,0,0|2,0,0]=4 7234 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [1,1,0,0,0,0|2,0,0]=4 7235 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [1,1,0,0,0,0|2,0,0]=4 7236 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 7237 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 7238 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [1,1,0,0,0,0|1,0,1]=4 7239 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|1,0,1]=4 7240 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [1,1,0,0,0,0|2,0,0]=4 7241 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|2,0,0]=4 7242 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|0,0,2]=4 7243 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [1,1,0,0,0,0|1,0,1]=4 7244 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [1,1,0,0,0,0|1,0,1]=4 7245 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [1,1,0,0,0,0|1,0,1]=4 7246 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [1,1,0,0,0,0|1,0,1]=4 7247 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,1,0,0,0,0|1,0,1]=4 7248 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,1,0,0,0,0|1,0,1]=4 7249 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,1,0,0,0,0|1,0,1]=4 7250 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|0,0,2]=4 7251 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|0,0,2]=4 7252 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [1,1,0,0,0,0|1,0,1]=4 7253 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [1,1,0,0,0,0|1,0,1]=4 7254 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [1,1,0,0,0,0|1,0,1]=4 7255 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [1,1,0,0,0,0|1,0,1]=4 7256 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [1,1,0,0,0,0|1,0,1]=4 7257 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [1,1,0,0,0,0|1,0,1]=4 7258 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [1,1,0,0,0,0|1,0,1]=4 7259 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [1,1,0,0,0,0|1,0,1]=4 7260 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [1,1,0,0,0,0|1,0,1]=4 7261 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [1,1,0,0,0,0|1,0,1]=4 7262 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [1,1,0,0,0,0|1,0,1]=4 7263 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [1,1,0,0,0,0|1,0,1]=4 7264 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [1,1,0,0,0,0|1,0,1]=4 7265 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [1,1,0,0,0,0|1,0,1]=4 7266 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [1,1,0,0,0,0|1,0,1]=4 7267 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [1,1,0,0,0,0|1,0,1]=4 7268 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [1,1,0,0,0,0|1,0,1]=4 7269 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [1,1,0,0,0,0|1,0,1]=4 7270 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [1,1,0,0,0,0|1,0,1]=4 7271 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [1,1,0,0,0,0|1,0,1]=4 7272 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [1,1,0,0,0,0|1,0,1]=4 7273 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [1,1,0,0,0,0|1,0,1]=4 7274 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [1,1,0,0,0,0|1,0,1]=4 7275 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [1,1,0,0,0,0|1,0,1]=4 7276 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|1,0,1]=4 7277 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 7278 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 7279 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|1,0,1]=4 7280 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|0,0,2]=4 7281 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|0,0,2]=4 7282 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,1,0,0,0,0|1,0,1]=4 7283 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,1,0,0,0,0|1,0,1]=4 7284 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,1,0,0,0,0|1,0,1]=4 7285 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|1,0,1]=4 7286 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|1,0,1]=4 7287 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [1,1,0,0,0,0|2,0,0]=4 7288 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,1,0,0,0,0|1,0,0]=3 7289 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [1,1,0,0,0,0|2,0,0]=4 7290 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [1,1,0,0,0,0|2,0,0]=4 7291 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,1,0,0,0,0|1,0,1]=4 7292 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,1,0,0,0,0|1,0,1]=4 7293 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,1,0,0,0,0|1,0,1]=4 7294 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,1,0,0,0,0|1,0,1]=4 7295 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [1,1,0,0,0,0|2,0,0]=4 7296 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [1,1,0,0,0,0|2,0,0]=4 7297 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,1,0,0,0,0|1,0,0]=3 7298 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,1,0,0,0,0|1,0,0]=3 7299 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [1,1,0,0,0,0|2,0,0]=4 7300 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [1,1,0,0,0,0|2,0,0]=4 7301 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,1,0,0,0,0|1,0,1]=4 7302 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,1,0,0,0,0|1,0,1]=4 7303 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [1,1,0,0,0,0|2,0,0]=4 7304 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [1,1,0,0,0,0|2,0,0]=4 7305 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [1,1,0,0,0,0|2,0,0]=4 7306 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,1,0,0,0,0|1,0,1]=4 7307 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [1,1,0,0,0,0|2,0,0]=4 7308 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [1,1,0,0,0,0|2,0,0]=4 7309 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [1,1,0,0,0,0|2,0,0]=4 7310 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [1,1,0,0,0,0|2,0,0]=4 7311 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [1,1,0,0,0,0|2,0,0]=4 7312 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|1,0,1]=4 7313 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [1,1,0,0,0,0|2,0,0]=4 7314 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [1,1,0,0,0,0|2,0,0]=4 7315 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [1,1,0,0,0,0|1,0,1]=4 7316 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [1,1,0,0,0,0|1,0,1]=4 7317 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,1,0,0,0,0|1,0,0]=3 7318 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [1,1,0,0,0,0|2,0,0]=4 7319 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [1,1,0,0,0,0|2,0,0]=4 7320 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,1,0,0,0,0|1,0,1]=4 7321 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,1,0,0,0,0|1,0,1]=4 7322 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,1,0,0,0,0|1,0,1]=4 7323 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [1,1,0,0,0,0|2,0,0]=4 7324 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [1,1,0,0,0,0|2,0,0]=4 7325 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [1,1,0,0,0,0|1,0,0]=3 7326 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [1,1,0,0,0,0|1,0,0]=3 7327 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [1,1,0,0,0,0|2,0,0]=4 7328 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [1,1,0,0,0,0|2,0,0]=4 7329 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [1,1,0,0,0,0|1,0,1]=4 7330 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [1,1,0,0,0,0|1,0,1]=4 7331 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|0,0,2]=4 7332 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|0,0,2]=4 7333 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,1]=4 7334 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|0,0,2]=4 7335 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|1,0,1]=4 7336 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 7337 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|1,0,1]=4 7338 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|1,0,1]=4 7339 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 7340 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|1,0,1]=4 7341 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 7342 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|1,0,1]=4 7343 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 7344 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 7345 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 7346 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,1]=4 7347 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,1]=4 7348 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,1]=4 7349 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,1]=4 7350 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,1,0,0,0,0|1,0,1]=4 7351 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,1,0,0,0,0|1,0,1]=4 7352 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,1,0,0,0,0|1,0,1]=4 7353 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,1,0,0,0,0|1,0,1]=4 7354 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [1,1,0,0,0,0|2,0,0]=4 7355 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,1,0,0,0,0|1,0,1]=4 7356 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,1,0,0,0,0|1,0,1]=4 7357 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,1,0,0,0,0|1,0,1]=4 7358 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,1,0,0,0,0|1,0,1]=4 7359 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,1,0,0,0,0|1,0,1]=4 7360 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,1,0,0,0,0|1,0,1]=4 7361 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|1,0,1]=4 7362 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|1,0,1]=4 7363 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|1,0,1]=4 7364 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,1,0,0,0,0|2,0,0]=4 7365 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,1,0,0,0,0|2,0,0]=4 7366 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,1,0,0,0,0|2,0,0]=4 7367 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 7368 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 7369 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,1,0,0,0,0|1,0,1]=4 7370 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,1,0,0,0,0|1,0,1]=4 7371 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,1,0,0,0,0|1,0,1]=4 7372 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,1,0,0,0,0|1,0,1]=4 7373 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,1,0,0,0,0|1,0,1]=4 7374 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,1,0,0,0,0|1,0,1]=4 7375 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,1,0,0,0,0|1,0,1]=4 7376 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,1,0,0,0,0|1,0,1]=4 7377 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,1,0,0,0,0|1,0,1]=4 7378 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [1,1,0,0,0,0|1,0,1]=4 7379 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,1,0,0,0,0|1,0,1]=4 7380 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,1,0,0,0,0|1,0,1]=4 7381 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,1,0,0,0,0|2,0,0]=4 7382 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [1,1,0,0,0,0|2,0,0]=4 7383 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,1,0,0,0,0|1,0,1]=4 7384 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,1,0,0,0,0|1,0,1]=4 7385 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,1,0,0,0,0|1,0,1]=4 7386 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,1,0,0,0,0|1,0,1]=4 7387 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|1,0,1]=4 7388 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [1,1,0,0,0,0|2,0,0]=4 7389 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,1,0,0,0,0|1,0,1]=4 7390 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [1,1,0,0,0,0|2,0,0]=4 7391 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,1,0,0,0,0|1,0,1]=4 7392 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,1,0,0,0,0|1,0,1]=4 7393 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,1,0,0,0,0|1,0,1]=4 7394 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,1,0,0,0,0|1,0,1]=4 7395 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,1,0,0,0,0|1,0,1]=4 7396 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,1,0,0,0,0|1,0,1]=4 7397 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,1,0,0,0,0|1,0,1]=4 7398 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,1,0,0,0,0|1,0,1]=4 7399 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,1,0,0,0,0|1,0,1]=4 7400 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,1,0,0,0,0|1,0,1]=4 7401 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [1,1,0,0,0,0|2,0,0]=4 7402 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [1,1,0,0,0,0|2,0,0]=4 7403 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,1,0,0,0,0|1,0,1]=4 7404 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,1,0,0,0,0|1,0,1]=4 7405 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,1,0,0,0,0|1,0,0]=3 7406 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,1,0,0,0,0|1,0,0]=3 7407 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [1,1,0,0,0,0|2,0,0]=4 7408 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [1,1,0,0,0,0|2,0,0]=4 7409 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [1,1,0,0,0,0|1,0,1]=4 7410 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [1,1,0,0,0,0|1,0,1]=4 7411 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [1,1,0,0,0,0|1,0,1]=4 7412 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [1,1,0,0,0,0|1,0,1]=4 7413 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [1,1,0,0,0,0|1,0,1]=4 7414 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [1,1,0,0,0,0|1,0,1]=4 7415 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [1,1,0,0,0,0|1,0,1]=4 7416 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [1,1,0,0,0,0|1,0,1]=4 7417 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,1,0,0,0,0|1,0,1]=4 7418 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 7419 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 7420 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,1]=4 7421 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [1,1,0,0,0,0|2,0,0]=4 7422 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,1,0,0,0,0|1,0,1]=4 7423 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,1,0,0,0,0|1,0,1]=4 7424 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,0,0,0,0|1,0,0]=3 7425 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [1,1,0,0,0,0|2,0,0]=4 7426 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [1,1,0,0,0,0|2,0,0]=4 7427 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [1,1,0,0,0,0|2,0,0]=4 7428 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,1,0,0,0,0|1,0,1]=4 7429 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,1,0,0,0,0|1,0,0]=3 7430 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,1,0,0,0,0|1,0,0]=3 7431 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [1,1,0,0,0,0|2,0,0]=4 7432 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [1,1,0,0,0,0|2,0,0]=4 7433 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,1,0,0,0,0|1,0,1]=4 7434 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,1,0,0,0,0|1,0,1]=4 7435 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [1,1,0,0,0,0|2,0,0]=4 7436 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 7437 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [1,1,0,0,0,0|2,0,0]=4 7438 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 7439 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,1,0,0,0,0|2,0,0]=4 7440 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,1,0,0,0,0|2,0,0]=4 7441 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 7442 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 7443 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,1,0,0,0,0|2,0,0]=4 7444 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [1,1,0,0,0,0|2,0,0]=4 7445 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,1,0,0,0,0|2,0,0]=4 7446 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,1,0,0,0,0|2,0,0]=4 7447 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [1,1,0,0,0,0|2,0,0]=4 7448 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [1,1,0,0,0,0|2,0,0]=4 7449 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,1,0,0,0,0|2,0,0]=4 7450 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,1,0,0,0,0|2,0,0]=4 7451 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,1,0,0,0,0|0,0,2]=4 7452 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,1,0,0,0,0|0,0,2]=4 7453 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,1,0,0,0,0|0,0,2]=4 7454 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,1,0,0,0,0|1,0,1]=4 7455 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [1,1,0,0,0,0|1,0,1]=4 7456 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|1,0,1]=4 7457 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|1,0,1]=4 7458 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [1,1,0,0,0,0|1,0,1]=4 7459 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [1,1,0,0,0,0|1,0,1]=4 7460 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|1,0,1]=4 7461 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|1,0,1]=4 7462 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|1,0,1]=4 7463 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|1,0,1]=4 7464 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 7465 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|1,0,1]=4 7466 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 7467 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|1,0,1]=4 7468 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|1,0,1]=4 7469 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,1,0,0,0,0|1,0,1]=4 7470 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,1,0,0,0,0|1,0,1]=4 7471 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,1,0,0,0,0|1,0,1]=4 7472 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,1,0,0,0,0|1,0,1]=4 7473 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,1,0,0,0,0|1,0,1]=4 7474 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,1,0,0,0,0|1,0,1]=4 7475 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,1,0,0,0,0|1,0,1]=4 7476 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|0,0,2]=4 7477 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|0,0,2]=4 7478 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|0,0,2]=4 7479 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [1,1,0,0,0,0|1,0,1]=4 7480 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [1,1,0,0,0,0|1,0,1]=4 7481 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [1,1,0,0,0,0|1,0,1]=4 7482 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [1,1,0,0,0,0|1,0,1]=4 7483 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [1,1,0,0,0,0|1,0,1]=4 7484 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [1,1,0,0,0,0|1,0,1]=4 7485 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,1,0,0,0,0|1,0,1]=4 7486 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,1,0,0,0,0|1,0,1]=4 7487 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,1,0,0,0,0|1,0,1]=4 7488 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,1,0,0,0,0|1,0,1]=4 7489 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,1,0,0,0,0|1,0,1]=4 7490 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,1,0,0,0,0|1,0,1]=4 7491 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,1,0,0,0,0|1,0,1]=4 7492 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,1,0,0,0,0|1,0,1]=4 7493 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,1,0,0,0,0|1,0,1]=4 7494 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [1,1,0,0,0,0|1,0,1]=4 7495 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [1,1,0,0,0,0|1,0,1]=4 7496 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [1,1,0,0,0,0|1,0,1]=4 7497 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [1,1,0,0,0,0|1,0,1]=4 7498 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,1,0,0,0,0|1,0,1]=4 7499 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,1,0,0,0,0|1,0,1]=4 7500 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,1,0,0,0,0|1,0,1]=4 7501 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,1,0,0,0,0|1,0,1]=4 7502 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [1,1,0,0,0,0|1,0,1]=4 7503 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [1,1,0,0,0,0|1,0,1]=4 7504 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [1,1,0,0,0,0|1,0,1]=4 7505 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [1,1,0,0,0,0|1,0,1]=4 7506 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,1,0,0,0,0|1,0,1]=4 7507 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [1,1,0,0,0,0|1,0,1]=4 7508 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [1,1,0,0,0,0|1,0,1]=4 7509 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,1,0,0,0,0|1,0,1]=4 7510 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [1,1,0,0,0,0|1,0,1]=4 7511 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [1,1,0,0,0,0|1,0,1]=4 7512 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,1,0,0,0,0|1,0,1]=4 7513 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,1,0,0,0,0|1,0,1]=4 7514 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,1,0,0,0,0|1,0,1]=4 7515 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,1,0,0,0,0|1,0,1]=4 7516 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [1,1,0,0,0,0|1,0,1]=4 7517 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,1,0,0,0,0|1,0,1]=4 7518 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,1,0,0,0,0|1,0,1]=4 7519 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [1,1,0,0,0,0|1,0,1]=4 7520 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [1,1,0,0,0,0|1,0,1]=4 7521 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [1,1,0,0,0,0|1,0,1]=4 7522 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [1,1,0,0,0,0|1,0,1]=4 7523 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,1,0,0,0,0|1,0,1]=4 7524 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [1,1,0,0,0,0|1,0,1]=4 7525 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [1,1,0,0,0,0|1,0,1]=4 7526 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [1,1,0,0,0,0|1,0,1]=4 7527 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,1,0,0,0,0|1,0,1]=4 7528 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,1,0,0,0,0|1,0,1]=4 7529 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,1,0,0,0,0|1,0,1]=4 7530 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,0]=3 7531 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,0]=3 7532 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,0]=3 7533 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,0]=3 7534 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,0]=3 7535 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 7536 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 7537 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|2,0,0]=4 7538 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|2,0,0]=4 7539 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,1,0,0,0,0|1,0,1]=4 7540 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,1,0,0,0,0|1,0,1]=4 7541 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 7542 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 7543 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|2,0,0]=4 7544 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|2,0,0]=4 7545 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 7546 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 7547 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,1,0,0,0,0|1,0,1]=4 7548 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,1,0,0,0,0|1,0,1]=4 7549 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|2,0,0]=4 7550 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|2,0,0]=4 7551 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|2,0,0]=4 7552 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|2,0,0]=4 7553 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,1,0,0,0,0|2,0,0]=4 7554 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|2,0,0]=4 7555 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|2,0,0]=4 7556 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|2,0,0]=4 7557 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|2,0,0]=4 7558 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|2,0,0]=4 7559 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|2,0,0]=4 7560 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|2,0,0]=4 7561 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|2,0,0]=4 7562 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|2,0,0]=4 7563 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [1,1,0,0,0,0|1,0,0]=3 7564 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,1,0,0,0,0|2,0,0]=4 7565 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,1,0,0,0,0|1,0,1]=4 7566 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [1,1,0,0,0,0|2,0,0]=4 7567 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,1,0,0,0,0|1,0,1]=4 7568 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 7569 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 7570 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,1]=4 7571 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,1]=4 7572 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,1,0,0,0,0|2,0,0]=4 7573 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,1,0,0,0,0|2,0,0]=4 7574 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,1,0,0,0,0|2,0,0]=4 7575 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,1,0,0,0,0|2,0,0]=4 7576 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,1,0,0,0,0|2,0,0]=4 7577 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,1,0,0,0,0|2,0,0]=4 7578 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,1,0,0,0,0|2,0,0]=4 7579 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|1,0,1]=4 7580 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|1,0,1]=4 7581 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|1,0,1]=4 7582 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [1,1,0,0,0,0|1,0,0]=3 7583 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [1,1,0,0,0,0|1,0,0]=3 7584 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,1,0,0,0,0|2,0,0]=4 7585 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,1,0,0,0,0|2,0,0]=4 7586 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,1,0,0,0,0|2,0,0]=4 7587 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,1,0,0,0,0|2,0,0]=4 7588 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|1,0,1]=4 7589 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|1,0,1]=4 7590 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [1,1,0,0,0,0|1,0,0]=3 7591 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [1,1,0,0,0,0|1,0,0]=3 7592 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,1,0,0,0,0|2,0,0]=4 7593 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,1,0,0,0,0|2,0,0]=4 7594 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,1,0,0,0,0|1,0,1]=4 7595 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,1,0,0,0,0|1,0,1]=4 7596 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [1,1,0,0,0,0|2,0,0]=4 7597 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [1,1,0,0,0,0|2,0,0]=4 7598 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [1,1,0,0,0,0|2,0,0]=4 7599 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [1,1,0,0,0,0|2,0,0]=4 7600 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [1,1,0,0,0,0|2,0,0]=4 7601 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,1,0,0,0,0|1,0,1]=4 7602 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,1,0,0,0,0|1,0,1]=4 7603 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,1,0,0,0,0|1,0,1]=4 7604 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,1,0,0,0,0|2,0,0]=4 7605 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,1,0,0,0,0|2,0,0]=4 7606 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,1,0,0,0,0|2,0,0]=4 7607 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,1,0,0,0,0|2,0,0]=4 7608 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,1,0,0,0,0|2,0,0]=4 7609 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,1,0,0,0,0|1,0,1]=4 7610 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [1,1,0,0,0,0|2,0,0]=4 7611 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [1,1,0,0,0,0|2,0,0]=4 7612 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,1,0,0,0,0|1,0,1]=4 7613 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,1,0,0,0,0|1,0,1]=4 7614 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [1,1,0,0,0,0|1,0,0]=3 7615 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [1,1,0,0,0,0|2,0,0]=4 7616 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [1,1,0,0,0,0|2,0,0]=4 7617 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [1,1,0,0,0,0|1,0,1]=4 7618 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [1,1,0,0,0,0|1,0,1]=4 7619 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [1,1,0,0,0,0|1,0,1]=4 7620 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [1,1,0,0,0,0|1,0,1]=4 7621 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [1,1,0,0,0,0|2,0,0]=4 7622 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [1,1,0,0,0,0|2,0,0]=4 7623 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [1,1,0,0,0,0|2,0,0]=4 7624 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [1,1,0,0,0,0|2,0,0]=4 7625 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [1,1,0,0,0,0|2,0,0]=4 7626 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [1,1,0,0,0,0|2,0,0]=4 7627 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [1,1,0,0,0,0|2,0,0]=4 7628 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [1,1,0,0,0,0|2,0,0]=4 7629 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,1,0,0,0,0|1,0,1]=4 7630 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [1,1,0,0,0,0|2,0,0]=4 7631 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [1,1,0,0,0,0|2,0,0]=4 7632 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [1,1,0,0,0,0|1,0,0]=3 7633 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [1,1,0,0,0,0|1,0,0]=3 7634 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [1,1,0,0,0,0|2,0,0]=4 7635 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [1,1,0,0,0,0|2,0,0]=4 7636 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [1,1,0,0,0,0|1,0,1]=4 7637 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [1,1,0,0,0,0|1,0,1]=4 7638 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [1,1,0,0,0,0|2,0,0]=4 7639 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,1,0,0,0,0|1,0,1]=4 7640 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [1,1,0,0,0,0|2,0,0]=4 7641 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [1,1,0,0,0,0|2,0,0]=4 7642 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,1,0,0,0,0|1,0,0]=3 7643 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [1,1,0,0,0,0|2,0,0]=4 7644 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [1,1,0,0,0,0|2,0,0]=4 7645 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,1,0,0,0,0|1,0,1]=4 7646 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,1,0,0,0,0|1,0,1]=4 7647 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,1,0,0,0,0|1,0,1]=4 7648 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,1,0,0,0,0|2,0,0]=4 7649 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,1,0,0,0,0|2,0,0]=4 7650 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,1,0,0,0,0|1,0,0]=3 7651 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,1,0,0,0,0|1,0,0]=3 7652 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [1,1,0,0,0,0|2,0,0]=4 7653 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [1,1,0,0,0,0|2,0,0]=4 7654 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,1,0,0,0,0|1,0,1]=4 7655 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,1,0,0,0,0|1,0,1]=4 7656 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [1,1,0,0,0,0|2,0,0]=4 7657 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [1,1,0,0,0,0|2,0,0]=4 7658 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [1,1,0,0,0,0|2,0,0]=4 7659 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [1,1,0,0,0,0|2,0,0]=4 7660 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 7661 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 7662 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [1,1,0,0,0,0|2,0,0]=4 7663 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [1,1,0,0,0,0|2,0,0]=4 7664 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [1,1,0,0,0,0|2,0,0]=4 7665 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,1,0,0,0,0|2,0,0]=4 7666 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [1,1,0,0,0,0|2,0,0]=4 7667 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [1,1,0,0,0,0|2,0,0]=4 7668 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,1,0,0,0,0|1,0,1]=4 7669 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,1,0,0,0,0|1,0,1]=4 7670 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|0,0,2]=4 7671 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|0,0,2]=4 7672 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|0,0,2]=4 7673 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|0,0,2]=4 7674 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|0,0,2]=4 7675 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|0,0,0]=2 7676 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|0,0,0]=2 7677 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|0,0,0]=2 7678 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|1,0,1]=4 7679 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 7680 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|1,0,1]=4 7681 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 7682 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 7683 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 7684 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 7685 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 7686 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 7687 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,0]=3 7688 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|1,0,1]=4 7689 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|1,0,1]=4 7690 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|1,0,1]=4 7691 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 7692 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|1,0,1]=4 7693 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 7694 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|1,0,1]=4 7695 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|1,0,1]=4 7696 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,0,0,0,0|1,0,0]=3 7697 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,0,0,0,0|1,0,0]=3 7698 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,0,0,0,0|1,0,0]=3 7699 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|1,0,0]=3 7700 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|1,0,1]=4 7701 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|1,0,1]=4 7702 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|1,0,1]=4 7703 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|1,0,1]=4 7704 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|1,0,1]=4 7705 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 7706 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 7707 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 7708 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 7709 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [1,1,0,0,0,0|2,0,0]=4 7710 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [1,1,0,0,0,0|2,0,0]=4 7711 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [1,1,0,0,0,0|2,0,0]=4 7712 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 7713 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 7714 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|2,0,0]=4 7715 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,0]=3 7716 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,0]=3 7717 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,0]=3 7718 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 7719 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 7720 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,0]=3 7721 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,0,0,0,0|1,0,0]=3 7722 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,1,0,0,0,0|1,0,1]=4 7723 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|1,0,1]=4 7724 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|1,0,1]=4 7725 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|1,0,1]=4 7726 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,1,0,0,0,0|1,0,1]=4 7727 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 7728 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 7729 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [1,1,0,0,0,0|2,0,0]=4 7730 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [1,1,0,0,0,0|2,0,0]=4 7731 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [1,1,0,0,0,0|2,0,0]=4 7732 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,1,0,0,0,0|1,0,1]=4 7733 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,1,0,0,0,0|1,0,1]=4 7734 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 7735 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 7736 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [1,1,0,0,0,0|2,0,0]=4 7737 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,0]=3 7738 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,0,0,0,0|1,0,0]=3 7739 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,0,0,0,0|1,0,0]=3 7740 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,0]=3 7741 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,0,0,0,0|1,0,0]=3 7742 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,0,0,0,0|1,0,0]=3 7743 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|1,0,1]=4 7744 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|1,0,1]=4 7745 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,1]=4 7746 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,1]=4 7747 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [1,1,0,0,0,0|2,0,0]=4 7748 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [1,1,0,0,0,0|2,0,0]=4 7749 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,1]=4 7750 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,1]=4 7751 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [1,1,0,0,0,0|2,0,0]=4 7752 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|1,0,1]=4 7753 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 7754 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,1,0,0,0,0|2,0,0]=4 7755 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,0]=3 7756 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 7757 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 7758 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|1,0,0]=3 7759 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 7760 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 7761 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,1,0,0,0,0|1,0,1]=4 7762 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|1,0,1]=4 7763 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|1,0,1]=4 7764 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|1,0,1]=4 7765 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,1]=4 7766 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [1,1,0,0,0,0|2,0,0]=4 7767 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 7768 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|2,0,0]=4 7769 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,0]=3 7770 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,0]=3 7771 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,0,0,0,0|1,0,0]=3 7772 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,0,0,0,0|1,0,0]=3 7773 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|1,0,1]=4 7774 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|1,0,1]=4 7775 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,0,1]=4 7776 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,0,1]=4 7777 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|2,0,0]=4 7778 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|2,0,0]=4 7779 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,0,0,0,0|1,0,0]=3 7780 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|1,0,1]=4 7781 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|1,0,1]=4 7782 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|1,0,1]=4 7783 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,1]=4 7784 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|2,0,0]=4 7785 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|2,0,0]=4 7786 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|2,0,0]=4 7787 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,1,0,0,0,0|2,0,0]=4 7788 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,1,0,0,0,0|2,0,0]=4 7789 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,0]=3 7790 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 7791 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,0]=3 7792 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 7793 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|1,0,0]=3 7794 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 7795 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|1,0,1]=4 7796 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 7797 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 7798 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [1,1,0,0,0,0|2,0,0]=4 7799 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 7800 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|2,0,0]=4 7801 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 7802 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|2,0,0]=4 7803 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|2,0,0]=4 7804 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,1,0,0,0,0|2,0,0]=4 7805 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|2,0,0]=4 7806 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,1,0,0,0,0|2,0,0]=4 7807 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,1,0,0,0,0|2,0,0]=4 7808 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,0,0,0,0|2,0,0]=4 7809 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,1,0,0,0,0|2,0,0]=4 7810 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,1,0,0,0,0|2,0,0]=4 7811 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,1,0,0,0,0|2,0,0]=4 7812 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,1,0,0,0,0|2,0,0]=4 7813 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,0]=3 7814 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,0]=3 7815 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|1,0,0]=3 7816 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|1,0,0]=3 7817 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|1,0,1]=4 7818 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|1,0,1]=4 7819 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|1,0,1]=4 7820 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 7821 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 7822 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 7823 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 7824 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|2,0,0]=4 7825 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|2,0,0]=4 7826 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|2,0,0]=4 7827 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,1,0,0,0,0|2,0,0]=4 7828 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,1,0,0,0,0|2,0,0]=4 7829 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|2,0,0]=4 7830 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|2,0,0]=4 7831 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,1,0,0,0,0|2,0,0]=4 7832 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,1,0,0,0,0|2,0,0]=4 7833 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,1,0,0,0,0|1,0,0]=3 7834 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,1,0,0,0,0|1,0,0]=3 7835 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [1,1,0,0,0,0|2,0,0]=4 7836 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [1,1,0,0,0,0|2,0,0]=4 7837 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 7838 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,1,0,0,0,0|1,0,1]=4 7839 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 7840 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,1,0,0,0,0|1,0,1]=4 7841 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [1,1,0,0,0,0|2,0,0]=4 7842 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 7843 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 7844 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,0]=3 7845 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,0]=3 7846 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|1,0,0]=3 7847 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 7848 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,1]=4 7849 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 7850 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|2,0,0]=4 7851 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|2,0,0]=4 7852 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|2,0,0]=4 7853 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 7854 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|2,0,0]=4 7855 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 7856 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 7857 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [1,1,0,0,0,0|2,0,0]=4 7858 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 7859 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|2,0,0]=4 7860 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,0]=3 7861 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,0]=3 7862 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 7863 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 7864 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 7865 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|1,0,1]=4 7866 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 7867 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,1,0,0,0,0|2,0,0]=4 7868 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,1,0,0,0,0|2,0,0]=4 7869 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 7870 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 7871 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|2,0,0]=4 7872 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|2,0,0]=4 7873 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|2,0,0]=4 7874 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|2,0,0]=4 7875 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,1,0,0,0,0|2,0,0]=4 7876 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,1,0,0,0,0|2,0,0]=4 7877 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|2,0,0]=4 7878 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|2,0,0]=4 7879 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|2,0,0]=4 7880 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,1,0,0,0,0|2,0,0]=4 7881 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,1,0,0,0,0|2,0,0]=4 7882 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|2,0,0]=4 7883 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,1,0,0,0,0|2,0,0]=4 7884 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,1,0,0,0,0|2,0,0]=4 7885 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,1,0,0,0,0|2,0,0]=4 7886 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,1,0,0,0,0|2,0,0]=4 7887 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,1,0,0,0,0|2,0,0]=4 7888 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|2,0,0]=4 7889 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|2,0,0]=4 7890 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,1,0,0,0,0|2,0,0]=4 7891 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,1,0,0,0,0|2,0,0]=4 7892 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,0]=3 7893 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,0]=3 7894 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,1]=4 7895 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,1]=4 7896 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 7897 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 7898 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 7899 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|2,0,0]=4 7900 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|2,0,0]=4 7901 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|2,0,0]=4 7902 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|2,0,0]=4 7903 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|2,0,0]=4 7904 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [1,1,0,0,0,0|2,0,0]=4 7905 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [1,1,0,0,0,0|2,0,0]=4 7906 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,0,0,0,0|2,0,0]=4 7907 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|2,0,0]=4 7908 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 7909 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,1,0,0,0,0|2,0,0]=4 7910 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,1,0,0,0,0|2,0,0]=4 7911 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 7912 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,1,0,0,0,0|2,0,0]=4 7913 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [1,1,0,0,0,0|2,0,0]=4 7914 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [1,1,0,0,0,0|2,0,0]=4 7915 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,1,0,0,0,0|2,0,0]=4 7916 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,1,0,0,0,0|2,0,0]=4 7917 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|2,0,0]=4 7918 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,1,0,0,0,0|2,0,0]=4 7919 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|2,0,0]=4 7920 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|2,0,0]=4 7921 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,1,0,0,0,0|2,0,0]=4 7922 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,1,0,0,0,0|2,0,0]=4 7923 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [1,1,0,0,0,0|2,0,0]=4 7924 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,1,0,0,0,0|1,0,1]=4 7925 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|1,0,0]=3 7926 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,1,0,0,0,0|2,0,0]=4 7927 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|1,0,1]=4 7928 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [1,1,0,0,0,0|2,0,0]=4 7929 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,1,0,0,0,0|1,0,1]=4 7930 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [1,1,0,0,0,0|2,0,0]=4 7931 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [1,1,0,0,0,0|2,0,0]=4 7932 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [1,1,0,0,0,0|2,0,0]=4 7933 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [1,1,0,0,0,0|2,0,0]=4 7934 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [1,1,0,0,0,0|2,0,0]=4 7935 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,1,0,0,0,0|2,0,0]=4 7936 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [1,1,0,0,0,0|2,0,0]=4 7937 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [1,1,0,0,0,0|2,0,0]=4 7938 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,1,0,0,0,0|1,0,1]=4 7939 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,1,0,0,0,0|1,0,1]=4 7940 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,1,0,0,0,0|2,0,0]=4 7941 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,1,0,0,0,0|2,0,0]=4 7942 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,1,0,0,0,0|2,0,0]=4 7943 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,1,0,0,0,0|2,0,0]=4 7944 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,1,0,0,0,0|2,0,0]=4 7945 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,1,0,0,0,0|2,0,0]=4 7946 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,1,0,0,0,0|2,0,0]=4 7947 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 7948 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 7949 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 7950 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 7951 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,1,0,0,0,0|2,0,0]=4 7952 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,1,0,0,0,0|2,0,0]=4 7953 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,1,0,0,0,0|2,0,0]=4 7954 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,1,0,0,0,0|2,0,0]=4 7955 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,1,0,0,0,0|2,0,0]=4 7956 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,1,0,0,0,0|2,0,0]=4 7957 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,1,0,0,0,0|2,0,0]=4 7958 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,1,0,0,0,0|2,0,0]=4 7959 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,1,0,0,0,0|2,0,0]=4 7960 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,1,0,0,0,0|2,0,0]=4 7961 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,1,0,0,0,0|2,0,0]=4 7962 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,1,0,0,0,0|2,0,0]=4 7963 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,1,0,0,0,0|2,0,0]=4 7964 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,1,0,0,0,0|2,0,0]=4 7965 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,1,0,0,0,0|2,0,0]=4 7966 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,1,0,0,0,0|2,0,0]=4 7967 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,1,0,0,0,0|2,0,0]=4 7968 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,1,0,0,0,0|2,0,0]=4 7969 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|2,0,0]=4 7970 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|2,0,0]=4 7971 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,1,0,0,0,0|2,0,0]=4 7972 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,1,0,0,0,0|2,0,0]=4 7973 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,1,0,0,0,0|2,0,0]=4 7974 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,1,0,0,0,0|2,0,0]=4 7975 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,1,0,0,0,0|2,0,0]=4 7976 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,1,0,0,0,0|2,0,0]=4 7977 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,1,0,0,0,0|2,0,0]=4 7978 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,1,0,0,0,0|2,0,0]=4 7979 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [1,1,0,0,0,0|2,0,0]=4 7980 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,0]=3 7981 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|2,0,0]=4 7982 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|1,0,0]=3 7983 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|2,0,0]=4 7984 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 7985 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 7986 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,1,0,0,0,0|2,0,0]=4 7987 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,1,0,0,0,0|2,0,0]=4 7988 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,1,0,0,0,0|2,0,0]=4 7989 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,1,0,0,0,0|2,0,0]=4 7990 B10R0.3 C=C(Br)CCOC(C)CCC 34a_100009813270_100000766640 [0,2,0,0,0,0|2,0,0]=4 7991 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [0,2,0,0,0,0|2,0,0]=4 7992 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,2,0,0,0,0|2,0,0]=4 7993 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,2,0,0,0,0|2,0,0]=4 7994 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,2,0,0,0,0|2,0,0]=4 7995 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [0,2,0,0,0,0|2,0,0]=4 7996 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [0,2,0,0,0,0|2,0,0]=4 7997 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [0,2,0,0,0,0|2,0,0]=4 7998 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [0,2,0,0,0,0|2,0,0]=4 7999 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [0,2,0,0,0,0|2,0,0]=4 8000 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [0,2,0,0,0,0|2,0,0]=4 8001 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [0,2,0,0,0,0|2,0,0]=4 8002 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [0,2,0,0,0,0|2,0,0]=4 8003 B10R0.3 C=C(F)COCC(C)CCC 34a_100000688023_100009893438 [0,2,0,0,0,0|2,0,0]=4 8004 B10R0.3 C=C(F)COCC(C)CCC 34a_200010262243_100011216630 [0,2,0,0,0,0|2,0,0]=4 8005 B10R0.3 C=C(F)COCC(C)CCC 7a_100000688023_100000042424 [0,2,0,0,0,0|2,0,0]=4 8006 B10R0.3 C=C(F)COC[C@@H](N)CCC 34a_100000732646_100009893438 [0,2,0,0,0,0|2,0,0]=4 8007 B10R0.3 C=C(F)CSCC(C)CCC 62a_100000042424_100011216630 [0,2,0,0,0,0|2,0,0]=4 8008 B10R0.3 C=C(F)CSCC(C)CCC 62a_100011216630_100000042424 [0,2,0,0,0,0|2,0,0]=4 8009 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,2,0,0,0,0|1,0,1]=4 8010 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,2,0,0,0,0|1,0,1]=4 8011 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,2,0,0,0,0|1,0,1]=4 8012 B10R0.3 C=CCC(C)COCC(C)C 34a_100009832082_100000210624 [0,2,0,0,0,0|2,0,0]=4 8013 B10R0.3 C=CCC(C)COCC(C)C 7a_100009832082_100000210760 [0,2,0,0,0,0|2,0,0]=4 8014 B10R0.3 C=CCC(C)COCC(C)O 34a_100009832082_100011218427 [0,2,0,0,0,0|2,0,0]=4 8015 B10R0.3 C=CCC(C)COCC(C)O 7a_100009832082_100011218427 [0,2,0,0,0,0|2,0,0]=4 8016 B10R0.3 C=CCC(C)COC[C@@H](C)O 34a_100009832082_100009817552 [0,2,0,0,0,0|2,0,0]=4 8017 B10R0.3 C=CCC(C)COC[C@@H](C)O 7a_100009832082_100009817552 [0,2,0,0,0,0|2,0,0]=4 8018 B10R0.3 C=CCN(C)CCCC(C)C 2230a_100000225617_100011214892 [0,2,0,0,0,0|2,0,0]=4 8019 B10R0.3 C=CCN(C)CCCC(C)C 269982a_100000225617_100011214892 [0,2,0,0,0,0|2,0,0]=4 8020 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [0,2,0,0,0,0|2,0,0]=4 8021 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [0,2,0,0,0,0|2,0,0]=4 8022 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [0,2,0,0,0,0|2,0,0]=4 8023 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [0,2,0,0,0,0|2,0,0]=4 8024 B10R0.3 C=CC[C@@H](C)OCCC(C)O 34a_100000731007_100012276601 [0,2,0,0,0,0|2,0,0]=4 8025 B10R0.3 C=CC[C@@H](C)OCCC(C)O 7a_100000731007_100012276601 [0,2,0,0,0,0|2,0,0]=4 8026 B10R0.3 C=CC[C@@H](N)COCC(C)C 34a_100020615467_100000210624 [0,2,0,0,0,0|2,0,0]=4 8027 B10R0.3 C=CC[C@@H](N)COCC(C)O 34a_100020615467_100011218427 [0,2,0,0,0,0|2,0,0]=4 8028 B10R0.3 C=CC[C@@H](N)COC[C@@H](C)O 34a_100020615467_100009817552 [0,2,0,0,0,0|2,0,0]=4 8029 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|1,0,1]=4 8030 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,2,0,0,0,0|2,0,0]=4 8031 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,2,0,0,0,0|2,0,0]=4 8032 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,2,0,0,0,0|2,0,0]=4 8033 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,2,0,0,0,0|2,0,0]=4 8034 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,2,0,0,0,0|2,0,0]=4 8035 B10R0.3 CC(CCBr)OCCC(=O)N 34a_100012276601_100000731001 [0,2,0,0,0,0|2,0,0]=4 8036 B10R0.3 CC(CCCC(=O)[O-])OCF 7a_100000761597_100015361967 [0,2,0,0,0,0|2,0,0]=4 8037 B10R0.3 CC(CCN)COCC(=O)N 34a_106354213184_100000187820 [0,2,0,0,0,0|2,0,0]=4 8038 B10R0.3 CC(CCN)COCC(=O)[O-] 34a_106354213184_100020667443 [0,2,0,0,0,0|2,0,0]=4 8039 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [0,2,0,0,0,0|2,0,0]=4 8040 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [0,2,0,0,0,0|2,0,0]=4 8041 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [0,2,0,0,0,0|2,0,0]=4 8042 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [0,2,0,0,0,0|2,0,0]=4 8043 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|0,0,1]=3 8044 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,2,0,0,0,0|0,0,1]=3 8045 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,2,0,0,0,0|1,0,1]=4 8046 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,2,0,0,0,0|1,0,1]=4 8047 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,2,0,0,0,0|1,0,1]=4 8048 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,2,0,0,0,0|1,0,1]=4 8049 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,2,0,0,0,0|1,0,1]=4 8050 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|1,0,1]=4 8051 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,2,0,0,0,0|1,0,1]=4 8052 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|1,0,1]=4 8053 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,2,0,0,0,0|1,0,1]=4 8054 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,2,0,0,0,0|1,0,1]=4 8055 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,2,0,0,0,0|1,0,1]=4 8056 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,2,0,0,0,0|1,0,1]=4 8057 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,2,0,0,0,0|1,0,1]=4 8058 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,2,0,0,0,0|1,0,1]=4 8059 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,2,0,0,0,0|1,0,1]=4 8060 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 8061 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 8062 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 8063 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,2,0,0,0,0|1,0,0]=3 8064 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,2,0,0,0,0|1,0,0]=3 8065 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|1,0,0]=3 8066 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,2,0,0,0,0|1,0,0]=3 8067 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,2,0,0,0,0|1,0,0]=3 8068 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,2,0,0,0,0|1,0,0]=3 8069 B10R0.3 CCCC(C)COC[N+](=O)[O-] 34a_100000688023_100000761209 [0,2,0,0,0,0|2,0,0]=4 8070 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,2,0,0,0,0|1,0,0]=3 8071 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,2,0,0,0,0|1,0,0]=3 8072 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,2,0,0,0,0|1,0,0]=3 8073 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,2,0,0,0,0|1,0,0]=3 8074 B10R0.3 CCCC(C)CSC[N+](=O)[O-] 62a_100011216630_100000761209 [0,2,0,0,0,0|2,0,0]=4 8075 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,2,0,0,0,0|1,0,0]=3 8076 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,2,0,0,0,0|2,0,0]=4 8077 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|1,0,0]=3 8078 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|1,0,0]=3 8079 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|1,0,0]=3 8080 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,2,0,0,0,0|1,0,0]=3 8081 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,2,0,0,0,0|1,0,0]=3 8082 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,2,0,0,0,0|1,0,0]=3 8083 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,2,0,0,0,0|1,0,0]=3 8084 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,2,0,0,0,0|2,0,0]=4 8085 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,2,0,0,0,0|1,0,0]=3 8086 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,2,0,0,0,0|1,0,0]=3 8087 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,2,0,0,0,0|1,0,0]=3 8088 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,2,0,0,0,0|1,0,0]=3 8089 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,2,0,0,0,0|2,0,0]=4 8090 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,2,0,0,0,0|2,0,0]=4 8091 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,2,0,0,0,0|1,0,0]=3 8092 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,2,0,0,0,0|1,0,0]=3 8093 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,2,0,0,0,0|1,0,0]=3 8094 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,2,0,0,0,0|2,0,0]=4 8095 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,2,0,0,0,0|2,0,0]=4 8096 B10R0.3 CCCN(C)CCNC(=O)N 2230a_100000747261_200000034859 [0,2,0,0,0,0|2,0,0]=4 8097 B10R0.3 CCCN(C)CCNC(=O)N 269982a_100000747261_200000034859 [0,2,0,0,0,0|2,0,0]=4 8098 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,2,0,0,0,0|2,0,0]=4 8099 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,2,0,0,0,0|2,0,0]=4 8100 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,2,0,0,0,0|1,0,0]=3 8101 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,2,0,0,0,0|1,0,0]=3 8102 B10R0.3 CCC[C@H](N)COC[N+](=O)[O-] 34a_100000732646_100000761209 [0,2,0,0,0,0|2,0,0]=4 8103 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,2,0,0,0,0|1,0,1]=4 8104 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,2,0,0,0,0|1,0,1]=4 8105 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|1,0,1]=4 8106 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|1,0,1]=4 8107 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|1,0,1]=4 8108 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,2,0,0,0,0|1,0,0]=3 8109 B10R0.3 CN(C)CCCN(C)CC=O 269982a_100000225831_200015260668 [0,2,0,0,0,0|2,0,0]=4 8110 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,2,0,0,0,0|2,0,0]=4 8111 B10R0.3 CN(CCO)CCCC(=O)N 269982a_100000210263_100102525003 [0,2,0,0,0,0|2,0,0]=4 8112 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,2,0,0,0,0|2,0,0]=4 8113 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|1,0,1]=4 8114 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,2,0,0,0,0|1,0,1]=4 8115 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,2,0,0,0,0|2,0,0]=4 8116 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,2,0,0,0,0|2,0,0]=4 8117 B10R0.3 COCC(C)OCCC(=O)N 34a_100000757172_100000765312 [0,2,0,0,0,0|2,0,0]=4 8118 B10R0.3 COCC(C)OCCC(=O)N 7a_100000757172_100000765312 [0,2,0,0,0,0|2,0,0]=4 8119 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,2,0,0,0,0|2,0,0]=4 8120 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,2,0,0,0,0|2,0,0]=4 8121 B10R0.3 COCC(C)SCCC(=O)N 62a_100000744528_100000765312 [0,2,0,0,0,0|2,0,0]=4 8122 B10R0.3 COCC(C)SCCC(=O)N 62a_100000765312_100000744528 [0,2,0,0,0,0|2,0,0]=4 8123 B10R0.3 COCC(N)COCC(=O)N 34a_100000724102_100000187820 [0,2,0,0,0,0|2,0,0]=4 8124 B10R0.3 COCC(N)COCC(=O)[O-] 34a_100000724102_100020667443 [0,2,0,0,0,0|2,0,0]=4 8125 B10R0.3 COCC(O)CNCC(=O)N 2230a_100000756049_100000747473 [0,2,0,0,0,0|2,0,0]=4 8126 B10R0.3 COCC(O)CNCC(=O)N 34a_100000756049_100000187820 [0,2,0,0,0,0|2,0,0]=4 8127 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,2,0,0,0,0|2,0,0]=4 8128 B10R0.3 COCC(O)CNCC(=O)[O-] 34a_100000756049_100020667443 [0,2,0,0,0,0|2,0,0]=4 8129 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,2,0,0,0,0|2,0,0]=4 8130 B10R0.3 COCC(O)CSCC(=O)N 62a_100000747473_100011215053 [0,2,0,0,0,0|2,0,0]=4 8131 B10R0.3 COCC(O)CSCC(=O)N 62a_100011215053_100000747473 [0,2,0,0,0,0|2,0,0]=4 8132 B10R0.3 COCC(O)CSCC(=O)[O-] 62a_100011215053_100020667443 [0,2,0,0,0,0|2,0,0]=4 8133 B10R0.3 COCC(O)CSCC(=O)[O-] 62a_100020667443_100011215053 [0,2,0,0,0,0|2,0,0]=4 8134 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,2,0,0,0,0|2,0,0]=4 8135 B10R0.3 COC[C@@H](C)NCCC(=O)N 2230a_100000764878_100000744528 [0,2,0,0,0,0|2,0,0]=4 8136 B10R0.3 COC[C@@H](C)OCCC(=O)N 34a_100011934205_100000731001 [0,2,0,0,0,0|2,0,0]=4 8137 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,2,0,0,0,0|1,0,1]=4 8138 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,2,0,0,0,0|1,0,1]=4 8139 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,2,0,0,0,0|2,0,0]=4 8140 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [0,2,0,0,0,0|2,0,0]=4 8141 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [0,2,0,0,0,0|2,0,0]=4 8142 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,2,0,0,0,0|1,0,1]=4 8143 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,2,0,0,0,0|0,0,1]=3 8144 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,2,0,0,0,0|0,0,1]=3 8145 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,2,0,0,0,0|0,0,1]=3 8146 B10R0.4 C#CCCCCCCN(C)C 2230a_100102631434_100012276617 [0,2,0,0,0,0|1,0,1]=4 8147 B10R0.4 C#CCCCCCCN(C)C 269982a_100102631434_100012276617 [0,2,0,0,0,0|1,0,1]=4 8148 B10R0.4 C#CCCCCCNC(C)C 2230a_100138425928_100012094781 [0,2,0,0,0,0|1,0,1]=4 8149 B10R0.4 C#CCCCCCNC(C)C 34a_100138425928_100012094781 [0,2,0,0,0,0|1,0,1]=4 8150 B10R0.4 C#CCCCCCOC(C)C 34a_100000212225_100012094781 [0,2,0,0,0,0|1,0,1]=4 8151 B10R0.4 C#CCCCCCOC(C)C 34a_100000766912_100000210206 [0,2,0,0,0,0|1,0,1]=4 8152 B10R0.4 C#CCCCCCOC(C)C 7a_100000766912_100000210206 [0,2,0,0,0,0|1,0,1]=4 8153 B10R0.4 C#CCCCCCSC(C)C 62a_100000210206_100012094781 [0,2,0,0,0,0|1,0,1]=4 8154 B10R0.4 C#CCCCCCSC(C)C 62a_100012094781_100000210206 [0,2,0,0,0,0|1,0,1]=4 8155 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000706060_100000747473 [0,2,0,0,0,0|0,0,2]=4 8156 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000711301_100010269958 [0,2,0,0,0,0|0,0,2]=4 8157 B10R0.4 C#CCCCCNCC(=O)N 34a_100000706060_100000187820 [0,2,0,0,0,0|0,0,2]=4 8158 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,2,0,0,0,0|0,0,2]=4 8159 B10R0.4 C#CCCCCNCC(=O)[O-] 34a_100000706060_100020667443 [0,2,0,0,0,0|0,0,2]=4 8160 B10R0.4 C#CCCCCNCC(C)C 2230a_100000210953_100010269958 [0,2,0,0,0,0|1,0,1]=4 8161 B10R0.4 C#CCCCCNCC(C)C 2230a_100000706060_100000210760 [0,2,0,0,0,0|1,0,1]=4 8162 B10R0.4 C#CCCCCNCC(C)C 34a_100000210953_100010269958 [0,2,0,0,0,0|1,0,1]=4 8163 B10R0.4 C#CCCCCNCC(C)C 34a_100000706060_100000210624 [0,2,0,0,0,0|1,0,1]=4 8164 B10R0.4 C#CCCCCNCC(C)O 2230a_100000210904_100010269958 [0,2,0,0,0,0|1,0,1]=4 8165 B10R0.4 C#CCCCCNCC(C)O 2230a_100000706060_100011218427 [0,2,0,0,0,0|1,0,1]=4 8166 B10R0.4 C#CCCCCNCC(C)O 34a_100000210904_100010269958 [0,2,0,0,0,0|1,0,1]=4 8167 B10R0.4 C#CCCCCNCC(C)O 34a_100000706060_100011218427 [0,2,0,0,0,0|1,0,1]=4 8168 B10R0.4 C#CCCCCNC[C@@H](C)O 2230a_100000706060_100009817552 [0,2,0,0,0,0|1,0,1]=4 8169 B10R0.4 C#CCCCCNC[C@@H](C)O 34a_100000706060_100009817552 [0,2,0,0,0,0|1,0,1]=4 8170 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,2,0,0,0,0|0,0,2]=4 8171 B10R0.4 C#CCCCCOCC(=O)N 34a_100000766709_100000187820 [0,2,0,0,0,0|0,0,2]=4 8172 B10R0.4 C#CCCCCOCC(=O)N 7a_100000766709_100000187820 [0,2,0,0,0,0|0,0,2]=4 8173 B10R0.4 C#CCCCCOCC(=O)[O-] 34a_100000766709_100020667443 [0,2,0,0,0,0|0,0,2]=4 8174 B10R0.4 C#CCCCCOCC(C)Br 34a_100012180447_100010269958 [0,2,0,0,0,0|1,0,1]=4 8175 B10R0.4 C#CCCCCOCC(C)C 34a_100000210257_100010269958 [0,2,0,0,0,0|1,0,1]=4 8176 B10R0.4 C#CCCCCOCC(C)C 34a_100000766709_100000210624 [0,2,0,0,0,0|1,0,1]=4 8177 B10R0.4 C#CCCCCOCC(C)C 7a_100000766709_100000210760 [0,2,0,0,0,0|1,0,1]=4 8178 B10R0.4 C#CCCCCOCC(C)F 34a_100015925927_100010269958 [0,2,0,0,0,0|1,0,1]=4 8179 B10R0.4 C#CCCCCOCC(C)O 34a_100000766709_100011218427 [0,2,0,0,0,0|1,0,1]=4 8180 B10R0.4 C#CCCCCOCC(C)O 7a_100000766709_100011218427 [0,2,0,0,0,0|1,0,1]=4 8181 B10R0.4 C#CCCCCOC[C@@H](C)Cl 34a_100016084084_100010269958 [0,2,0,0,0,0|1,0,1]=4 8182 B10R0.4 C#CCCCCOC[C@@H](C)N 34a_100000737577_100010269958 [0,2,0,0,0,0|1,0,1]=4 8183 B10R0.4 C#CCCCCOC[C@@H](C)O 34a_100000766709_100009817552 [0,2,0,0,0,0|1,0,1]=4 8184 B10R0.4 C#CCCCCOC[C@@H](C)O 7a_100000766709_100009817552 [0,2,0,0,0,0|1,0,1]=4 8185 B10R0.4 C#CCCCCSCC(=O)N 62a_100000747473_100010269958 [0,2,0,0,0,0|0,0,2]=4 8186 B10R0.4 C#CCCCCSCC(=O)N 62a_100010269958_100000747473 [0,2,0,0,0,0|0,0,2]=4 8187 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100010269958_100020667443 [0,2,0,0,0,0|0,0,2]=4 8188 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100020667443_100010269958 [0,2,0,0,0,0|0,0,2]=4 8189 B10R0.4 C#CCCCCSCC(C)C 62a_100000210624_100010269958 [0,2,0,0,0,0|1,0,1]=4 8190 B10R0.4 C#CCCCCSCC(C)C 62a_100010269958_100000210760 [0,2,0,0,0,0|1,0,1]=4 8191 B10R0.4 C#CCCCCSCC(C)O 62a_100010269958_100011218427 [0,2,0,0,0,0|1,0,1]=4 8192 B10R0.4 C#CCCCCSCC(C)O 62a_100011218427_100010269958 [0,2,0,0,0,0|1,0,1]=4 8193 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100009817552_100010269958 [0,2,0,0,0,0|1,0,1]=4 8194 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100010269958_100009817552 [0,2,0,0,0,0|1,0,1]=4 8195 B10R0.4 C#CCCCNCCC(=O)N 34a_100000718082_100000731001 [0,2,0,0,0,0|0,0,2]=4 8196 B10R0.4 C#CCCCNCCC(C)C 34a_100000718082_100000210312 [0,2,0,0,0,0|1,0,1]=4 8197 B10R0.4 C#CCCCNCCC(C)O 2230a_200000755665_100000731252 [0,2,0,0,0,0|1,0,1]=4 8198 B10R0.4 C#CCCCNCCC(C)O 34a_100000718082_100012276601 [0,2,0,0,0,0|1,0,1]=4 8199 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,2,0,0,0,0|0,0,2]=4 8200 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,2,0,0,0,0|0,0,2]=4 8201 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,2,0,0,0,0|0,0,2]=4 8202 B10R0.4 C#CCCCOCCC(=O)N 34a_100000215630_100000731001 [0,2,0,0,0,0|0,0,2]=4 8203 B10R0.4 C#CCCCOCCC(=O)N 34a_100000757172_100000695029 [0,2,0,0,0,0|0,0,2]=4 8204 B10R0.4 C#CCCCOCCC(=O)N 7a_100000215630_100000744528 [0,2,0,0,0,0|0,0,2]=4 8205 B10R0.4 C#CCCCOCCC(=O)N 7a_100000757172_100011215417 [0,2,0,0,0,0|0,0,2]=4 8206 B10R0.4 C#CCCCOCCC(C)Br 34a_100009893172_100000695029 [0,2,0,0,0,0|1,0,1]=4 8207 B10R0.4 C#CCCCOCCC(C)C 34a_100000210254_100000695029 [0,2,0,0,0,0|1,0,1]=4 8208 B10R0.4 C#CCCCOCCC(C)C 34a_100000215630_100000210312 [0,2,0,0,0,0|1,0,1]=4 8209 B10R0.4 C#CCCCOCCC(C)C 7a_100000210254_100011215417 [0,2,0,0,0,0|1,0,1]=4 8210 B10R0.4 C#CCCCOCCC(C)C 7a_100000215630_100000210626 [0,2,0,0,0,0|1,0,1]=4 8211 B10R0.4 C#CCCCOCCC(C)O 34a_100000215630_100012276601 [0,2,0,0,0,0|1,0,1]=4 8212 B10R0.4 C#CCCCOCCC(C)O 7a_100000215630_100012276601 [0,2,0,0,0,0|1,0,1]=4 8213 B10R0.4 C#CCCCOCC[C@@H](C)N 34a_100000706166_100000695029 [0,2,0,0,0,0|1,0,1]=4 8214 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [0,2,0,0,0,0|0,0,2]=4 8215 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [0,2,0,0,0,0|0,0,2]=4 8216 B10R0.4 C#CCCCSCCC(=O)N 62a_100000744528_100011215417 [0,2,0,0,0,0|0,0,2]=4 8217 B10R0.4 C#CCCCSCCC(=O)N 62a_100011215417_100000744528 [0,2,0,0,0,0|0,0,2]=4 8218 B10R0.4 C#CCCCSCCC(C)C 62a_100000210312_100011215417 [0,2,0,0,0,0|1,0,1]=4 8219 B10R0.4 C#CCCCSCCC(C)C 62a_100011215417_100000210312 [0,2,0,0,0,0|1,0,1]=4 8220 B10R0.4 C#CCCCSCCC(C)O 62a_100011215417_100012276601 [0,2,0,0,0,0|1,0,1]=4 8221 B10R0.4 C#CCCCSCCC(C)O 62a_100012276601_100011215417 [0,2,0,0,0,0|1,0,1]=4 8222 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [0,2,0,0,0,0|0,0,2]=4 8223 B10R0.4 C#CCCNCCCC(=O)N 34a_100000739312_100000688953 [0,2,0,0,0,0|0,0,2]=4 8224 B10R0.4 C#CCCNCCCC(=O)N 34a_100000755551_100102525003 [0,2,0,0,0,0|0,0,2]=4 8225 B10R0.4 C#CCCNCCCC(C)C 2230a_200000737386_100000688953 [0,2,0,0,0,0|1,0,1]=4 8226 B10R0.4 C#CCCNCCCC(C)C 34a_100000755551_100011214892 [0,2,0,0,0,0|1,0,1]=4 8227 B10R0.4 C#CCCNCCCC(C)C 34a_200000737386_100000688953 [0,2,0,0,0,0|1,0,1]=4 8228 B10R0.4 C#CCCNCCCC(C)O 34a_100000755551_200000718107 [0,2,0,0,0,0|1,0,1]=4 8229 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,2,0,0,0,0|0,0,2]=4 8230 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,2,0,0,0,0|0,0,2]=4 8231 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,2,0,0,0,0|0,0,2]=4 8232 B10R0.4 C#CCCOCCCC(=O)N 34a_100011215631_100102525003 [0,2,0,0,0,0|0,0,2]=4 8233 B10R0.4 C#CCCOCCCC(C)C 34a_100000210774_100000688953 [0,2,0,0,0,0|1,0,1]=4 8234 B10R0.4 C#CCCOCCCC(C)C 34a_100011215631_100011214892 [0,2,0,0,0,0|1,0,1]=4 8235 B10R0.4 C#CCCOCCCC(C)C 7a_100000210774_100000688953 [0,2,0,0,0,0|1,0,1]=4 8236 B10R0.4 C#CCCOCCCC(C)O 34a_100011215631_200000718107 [0,2,0,0,0,0|1,0,1]=4 8237 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [0,2,0,0,0,0|0,0,2]=4 8238 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [0,2,0,0,0,0|0,0,2]=4 8239 B10R0.4 C#CCCSCCCC(=O)N 62a_100000688953_100102525003 [0,2,0,0,0,0|0,0,2]=4 8240 B10R0.4 C#CCCSCCCC(=O)N 62a_100102525003_100000688953 [0,2,0,0,0,0|0,0,2]=4 8241 B10R0.4 C#CCCSCCCC(C)C 62a_100000688953_100011214892 [0,2,0,0,0,0|1,0,1]=4 8242 B10R0.4 C#CCCSCCCC(C)C 62a_100011214892_100000688953 [0,2,0,0,0,0|1,0,1]=4 8243 B10R0.4 C#CCCSCCCC(C)O 62a_100000688953_200000718107 [0,2,0,0,0,0|1,0,1]=4 8244 B10R0.4 C#CCCSCCCC(C)O 62a_200000718107_100000688953 [0,2,0,0,0,0|1,0,1]=4 8245 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [0,2,0,0,0,0|0,0,2]=4 8246 B10R0.4 C#CCNCCCCC(=O)N 34a_100000696515_100000184674 [0,2,0,0,0,0|0,0,2]=4 8247 B10R0.4 C#CCNCCCCC(C)C 34a_100000212058_100011216152 [0,2,0,0,0,0|1,0,1]=4 8248 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [0,2,0,0,0,0|0,0,2]=4 8249 B10R0.4 C#CCOCCCCC(=O)N 34a_100012022536_100000184674 [0,2,0,0,0,0|0,0,2]=4 8250 B10R0.4 C#CCOCCCCC(=O)N 7a_100012022536_100000038162 [0,2,0,0,0,0|0,0,2]=4 8251 B10R0.4 C#CCOCCCCC(C)C 34a_100000210247_100011216152 [0,2,0,0,0,0|1,0,1]=4 8252 B10R0.4 C#CCOCCCCC(C)C 34a_100011214890_100000184674 [0,2,0,0,0,0|1,0,1]=4 8253 B10R0.4 C#CCOCCCCC(C)C 7a_100011214890_100000038162 [0,2,0,0,0,0|1,0,1]=4 8254 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [0,2,0,0,0,0|0,0,2]=4 8255 B10R0.4 C#CCSCCCCC(C)C 62a_100000038162_100011216152 [0,2,0,0,0,0|1,0,1]=4 8256 B10R0.4 C/C=C/CCOCCC(=O)N 34a_100016278192_100000731001 [0,2,0,0,0,0|0,0,2]=4 8257 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [0,2,0,0,0,0|1,0,1]=4 8258 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,2,0,0,0,0|1,0,1]=4 8259 B10R0.4 C/C=C/CNCCCC(=O)N 34a_100000739312_100102629194 [0,2,0,0,0,0|0,0,2]=4 8260 B10R0.4 C/C=C/CNCCCC(C)C 34a_200000737386_100102629194 [0,2,0,0,0,0|1,0,1]=4 8261 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,2,0,0,0,0|0,0,2]=4 8262 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,2,0,0,0,0|0,0,2]=4 8263 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,2,0,0,0,0|0,0,2]=4 8264 B10R0.4 C/C=C/COCCCC(=O)N 34a_100016270725_100102525003 [0,2,0,0,0,0|0,0,2]=4 8265 B10R0.4 C/C=C/COCCCC(C)C 34a_100000210774_100102629194 [0,2,0,0,0,0|1,0,1]=4 8266 B10R0.4 C/C=C/COCCCC(C)C 34a_100016270725_100011214892 [0,2,0,0,0,0|1,0,1]=4 8267 B10R0.4 C/C=C/COCCCC(C)C 7a_100000210774_100102629194 [0,2,0,0,0,0|1,0,1]=4 8268 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,2,0,0,0,0|1,0,1]=4 8269 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,2,0,0,0,0|0,0,2]=4 8270 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,2,0,0,0,0|0,0,2]=4 8271 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102525003_100102629194 [0,2,0,0,0,0|0,0,2]=4 8272 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102629194_100102525003 [0,2,0,0,0,0|0,0,2]=4 8273 B10R0.4 C/C=C/CSCCCC(C)C 62a_100011214892_100102629194 [0,2,0,0,0,0|1,0,1]=4 8274 B10R0.4 C/C=C/CSCCCC(C)C 62a_100102629194_100011214892 [0,2,0,0,0,0|1,0,1]=4 8275 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,2,0,0,0,0|1,0,1]=4 8276 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,2,0,0,0,0|1,0,1]=4 8277 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,2,0,0,0,0|1,0,0]=3 8278 B10R0.4 C=C(Br)CCOCCCCF 34a_100009813270_100000729493 [0,2,0,0,0,0|2,0,0]=4 8279 B10R0.4 C=C(Br)CCOCCCCO 34a_100009813270_100011216708 [0,2,0,0,0,0|2,0,0]=4 8280 B10R0.4 C=C(Br)CCOCCCOC 34a_100009813270_100000740836 [0,2,0,0,0,0|2,0,0]=4 8281 B10R0.4 C=C(Br)CCOCCOCC 34a_100009813270_100000210147 [0,2,0,0,0,0|2,0,0]=4 8282 B10R0.4 C=C(Br)CCOCCSCC 34a_100009813270_100000757381 [0,2,0,0,0,0|2,0,0]=4 8283 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,2,0,0,0,0|1,0,0]=3 8284 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,2,0,0,0,0|2,0,0]=4 8285 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,2,0,0,0,0|2,0,0]=4 8286 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,2,0,0,0,0|2,0,0]=4 8287 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,2,0,0,0,0|2,0,0]=4 8288 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,2,0,0,0,0|2,0,0]=4 8289 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,2,0,0,0,0|2,0,0]=4 8290 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,2,0,0,0,0|2,0,0]=4 8291 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,2,0,0,0,0|2,0,0]=4 8292 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,2,0,0,0,0|1,0,0]=3 8293 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,2,0,0,0,0|1,0,0]=3 8294 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,2,0,0,0,0|1,0,0]=3 8295 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,2,0,0,0,0|2,0,0]=4 8296 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,2,0,0,0,0|2,0,0]=4 8297 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,2,0,0,0,0|2,0,0]=4 8298 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,2,0,0,0,0|2,0,0]=4 8299 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,2,0,0,0,0|2,0,0]=4 8300 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,2,0,0,0,0|2,0,0]=4 8301 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,2,0,0,0,0|2,0,0]=4 8302 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,2,0,0,0,0|2,0,0]=4 8303 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,2,0,0,0,0|2,0,0]=4 8304 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,2,0,0,0,0|2,0,0]=4 8305 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,2,0,0,0,0|2,0,0]=4 8306 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,2,0,0,0,0|2,0,0]=4 8307 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,2,0,0,0,0|2,0,0]=4 8308 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,2,0,0,0,0|2,0,0]=4 8309 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,2,0,0,0,0|2,0,0]=4 8310 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,2,0,0,0,0|2,0,0]=4 8311 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,2,0,0,0,0|2,0,0]=4 8312 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,2,0,0,0,0|2,0,0]=4 8313 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,2,0,0,0,0|2,0,0]=4 8314 B10R0.4 C=C(C)CCSCCCC=O 62a_100000730704_200011292268 [0,2,0,0,0,0|0,0,1]=3 8315 B10R0.4 C=C(C)CCSCCCC=O 62a_200011292268_100000730704 [0,2,0,0,0,0|0,0,1]=3 8316 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,2,0,0,0,0|1,0,0]=3 8317 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,2,0,0,0,0|1,0,0]=3 8318 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,2,0,0,0,0|2,0,0]=4 8319 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,2,0,0,0,0|2,0,0]=4 8320 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,2,0,0,0,0|2,0,0]=4 8321 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,2,0,0,0,0|2,0,0]=4 8322 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,2,0,0,0,0|2,0,0]=4 8323 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,2,0,0,0,0|2,0,0]=4 8324 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,2,0,0,0,0|2,0,0]=4 8325 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,2,0,0,0,0|2,0,0]=4 8326 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,2,0,0,0,0|2,0,0]=4 8327 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,2,0,0,0,0|2,0,0]=4 8328 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,2,0,0,0,0|1,0,0]=3 8329 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,2,0,0,0,0|2,0,0]=4 8330 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,2,0,0,0,0|2,0,0]=4 8331 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [0,2,0,0,0,0|2,0,0]=4 8332 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [0,2,0,0,0,0|2,0,0]=4 8333 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,2,0,0,0,0|2,0,0]=4 8334 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,2,0,0,0,0|2,0,0]=4 8335 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [0,2,0,0,0,0|2,0,0]=4 8336 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,2,0,0,0,0|2,0,0]=4 8337 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,2,0,0,0,0|2,0,0]=4 8338 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,2,0,0,0,0|1,0,0]=3 8339 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,2,0,0,0,0|1,0,0]=3 8340 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,2,0,0,0,0|1,0,0]=3 8341 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,2,0,0,0,0|2,0,0]=4 8342 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,2,0,0,0,0|2,0,0]=4 8343 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,2,0,0,0,0|2,0,0]=4 8344 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,2,0,0,0,0|2,0,0]=4 8345 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,2,0,0,0,0|2,0,0]=4 8346 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,2,0,0,0,0|2,0,0]=4 8347 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,2,0,0,0,0|2,0,0]=4 8348 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,2,0,0,0,0|2,0,0]=4 8349 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,2,0,0,0,0|2,0,0]=4 8350 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,2,0,0,0,0|2,0,0]=4 8351 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,2,0,0,0,0|2,0,0]=4 8352 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,2,0,0,0,0|2,0,0]=4 8353 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,2,0,0,0,0|2,0,0]=4 8354 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,2,0,0,0,0|2,0,0]=4 8355 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,2,0,0,0,0|2,0,0]=4 8356 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,2,0,0,0,0|2,0,0]=4 8357 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,2,0,0,0,0|2,0,0]=4 8358 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,2,0,0,0,0|2,0,0]=4 8359 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,2,0,0,0,0|2,0,0]=4 8360 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,2,0,0,0,0|2,0,0]=4 8361 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,2,0,0,0,0|2,0,0]=4 8362 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,2,0,0,0,0|2,0,0]=4 8363 B10R0.4 C=C(C)CSCCCCC=O 62a_100000139335_100000211660 [0,2,0,0,0,0|0,0,1]=3 8364 B10R0.4 C=C(C)CSCCCCC=O 62a_100000748629_100000139335 [0,2,0,0,0,0|0,0,1]=3 8365 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,2,0,0,0,0|1,0,0]=3 8366 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,2,0,0,0,0|1,0,0]=3 8367 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,2,0,0,0,0|2,0,0]=4 8368 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,2,0,0,0,0|2,0,0]=4 8369 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,2,0,0,0,0|2,0,0]=4 8370 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,2,0,0,0,0|2,0,0]=4 8371 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,2,0,0,0,0|2,0,0]=4 8372 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,2,0,0,0,0|2,0,0]=4 8373 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [0,2,0,0,0,0|2,0,0]=4 8374 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [0,2,0,0,0,0|2,0,0]=4 8375 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,2,0,0,0,0|2,0,0]=4 8376 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,2,0,0,0,0|2,0,0]=4 8377 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,2,0,0,0,0|2,0,0]=4 8378 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,2,0,0,0,0|2,0,0]=4 8379 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,2,0,0,0,0|1,0,0]=3 8380 B10R0.4 C=C(F)CNCCCCCO 2230a_100000762737_100009893438 [0,2,0,0,0,0|2,0,0]=4 8381 B10R0.4 C=C(F)CNCCCCCO 34a_100000762737_100009893438 [0,2,0,0,0,0|2,0,0]=4 8382 B10R0.4 C=C(F)CNCCCOCC 2230a_100000210961_100009893438 [0,2,0,0,0,0|2,0,0]=4 8383 B10R0.4 C=C(F)CNCCCOCC 34a_100000210961_100009893438 [0,2,0,0,0,0|2,0,0]=4 8384 B10R0.4 C=C(F)CNCCOCCC 2230a_100161115042_100009893438 [0,2,0,0,0,0|2,0,0]=4 8385 B10R0.4 C=C(F)CNCCOCCC 34a_100161115042_100009893438 [0,2,0,0,0,0|2,0,0]=4 8386 B10R0.4 C=C(F)CNCCSCCC 2230a_100020603323_100009893438 [0,2,0,0,0,0|2,0,0]=4 8387 B10R0.4 C=C(F)COCCCCCBr 34a_100000746331_100009893438 [0,2,0,0,0,0|2,0,0]=4 8388 B10R0.4 C=C(F)COCCCCCBr 7a_100000746331_100000042424 [0,2,0,0,0,0|2,0,0]=4 8389 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,2,0,0,0,0|1,0,0]=3 8390 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,2,0,0,0,0|1,0,0]=3 8391 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,2,0,0,0,0|1,0,0]=3 8392 B10R0.4 C=C(F)COCCCCCCl 34a_100000746330_100009893438 [0,2,0,0,0,0|2,0,0]=4 8393 B10R0.4 C=C(F)COCCCCCCl 7a_100000746330_100000042424 [0,2,0,0,0,0|2,0,0]=4 8394 B10R0.4 C=C(F)COCCCCCF 34a_200010262243_100000729378 [0,2,0,0,0,0|2,0,0]=4 8395 B10R0.4 C=C(F)COCCCCCI 34a_200012148887_100009893438 [0,2,0,0,0,0|2,0,0]=4 8396 B10R0.4 C=C(F)COCCCCCI 7a_200012148887_100000042424 [0,2,0,0,0,0|2,0,0]=4 8397 B10R0.4 C=C(F)COCCCCCN 34a_100000762737_100009893438 [0,2,0,0,0,0|2,0,0]=4 8398 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,2,0,0,0,0|2,0,0]=4 8399 B10R0.4 C=C(F)COCCCCOC 34a_100000740925_100009893438 [0,2,0,0,0,0|2,0,0]=4 8400 B10R0.4 C=C(F)COCCCCOC 34a_200010262243_100000755781 [0,2,0,0,0,0|2,0,0]=4 8401 B10R0.4 C=C(F)COCCCCSC 34a_100011217163_100009893438 [0,2,0,0,0,0|2,0,0]=4 8402 B10R0.4 C=C(F)COCCCCSC 7a_100011217163_100000042424 [0,2,0,0,0,0|2,0,0]=4 8403 B10R0.4 C=C(F)COCCCOCC 34a_100000757476_100009893438 [0,2,0,0,0,0|2,0,0]=4 8404 B10R0.4 C=C(F)COCCCOCC 34a_200010262243_100012232248 [0,2,0,0,0,0|2,0,0]=4 8405 B10R0.4 C=C(F)COCCCOCC 7a_100000757476_100000042424 [0,2,0,0,0,0|2,0,0]=4 8406 B10R0.4 C=C(F)COCCCSCC 34a_100011216438_100009893438 [0,2,0,0,0,0|2,0,0]=4 8407 B10R0.4 C=C(F)COCCCSCC 7a_100011216438_100000042424 [0,2,0,0,0,0|2,0,0]=4 8408 B10R0.4 C=C(F)COCCOCCC 34a_100000752267_100009893438 [0,2,0,0,0,0|2,0,0]=4 8409 B10R0.4 C=C(F)COCCOCCC 34a_200010262243_100011215938 [0,2,0,0,0,0|2,0,0]=4 8410 B10R0.4 C=C(F)COCCOCCC 7a_100000752267_100000042424 [0,2,0,0,0,0|2,0,0]=4 8411 B10R0.4 C=C(F)COCCSCCC 34a_200000230433_100009893438 [0,2,0,0,0,0|2,0,0]=4 8412 B10R0.4 C=C(F)COCCSCCC 7a_200000230433_100000042424 [0,2,0,0,0,0|2,0,0]=4 8413 B10R0.4 C=C(F)COCOCCCC 34a_200010262243_100011995733 [0,2,0,0,0,0|2,0,0]=4 8414 B10R0.4 C=C(F)CSCCCCC=O 62a_100000042424_100000139335 [0,2,0,0,0,0|0,0,2]=4 8415 B10R0.4 C=C(F)CSCCCCC=O 62a_100000139335_100000042424 [0,2,0,0,0,0|0,0,2]=4 8416 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,2,0,0,0,0|1,0,0]=3 8417 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,2,0,0,0,0|1,0,0]=3 8418 B10R0.4 C=C(F)CSCCCCCF 62a_100000042424_100000729378 [0,2,0,0,0,0|2,0,0]=4 8419 B10R0.4 C=C(F)CSCCCCCF 62a_100000729378_100000042424 [0,2,0,0,0,0|2,0,0]=4 8420 B10R0.4 C=C(F)CSCCCCCO 62a_100000042424_100000746330 [0,2,0,0,0,0|2,0,0]=4 8421 B10R0.4 C=C(F)CSCCCCCO 62a_100000746330_100000042424 [0,2,0,0,0,0|2,0,0]=4 8422 B10R0.4 C=C(F)CSCCCCOC 62a_100000042424_100000730899 [0,2,0,0,0,0|2,0,0]=4 8423 B10R0.4 C=C(F)CSCCCCOC 62a_100000730899_100000042424 [0,2,0,0,0,0|2,0,0]=4 8424 B10R0.4 C=C(F)CSCCCOCC 62a_100000042424_100012232248 [0,2,0,0,0,0|2,0,0]=4 8425 B10R0.4 C=C(F)CSCCCOCC 62a_100012232248_100000042424 [0,2,0,0,0,0|2,0,0]=4 8426 B10R0.4 C=C(F)CSCCOCCC 62a_100000042424_100011215938 [0,2,0,0,0,0|2,0,0]=4 8427 B10R0.4 C=C(F)CSCCOCCC 62a_100011215938_100000042424 [0,2,0,0,0,0|2,0,0]=4 8428 B10R0.4 C=C(F)CSCOCCCC 62a_100000042424_100011995733 [0,2,0,0,0,0|2,0,0]=4 8429 B10R0.4 C=C(F)CSCOCCCC 62a_100011995733_100000042424 [0,2,0,0,0,0|2,0,0]=4 8430 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,2,0,0,0,0|0,0,1]=3 8431 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,2,0,0,0,0|0,0,1]=3 8432 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,2,0,0,0,0|0,0,1]=3 8433 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,2,0,0,0,0|1,0,0]=3 8434 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,2,0,0,0,0|1,0,0]=3 8435 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [0,2,0,0,0,0|1,0,0]=3 8436 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [0,2,0,0,0,0|1,0,0]=3 8437 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,2,0,0,0,0|1,0,0]=3 8438 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,2,0,0,0,0|1,0,0]=3 8439 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,2,0,0,0,0|1,0,0]=3 8440 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [0,2,0,0,0,0|1,0,0]=3 8441 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [0,2,0,0,0,0|1,0,0]=3 8442 B10R0.4 C=CCCCCNCC(=C)C 2230a_100000703577_100000748629 [0,2,0,0,0,0|1,0,1]=4 8443 B10R0.4 C=CCCCCNCC(=C)C 34a_100000703577_100000748629 [0,2,0,0,0,0|1,0,1]=4 8444 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [0,2,0,0,0,0|0,0,2]=4 8445 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [0,2,0,0,0,0|0,0,2]=4 8446 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [0,2,0,0,0,0|0,0,2]=4 8447 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,2,0,0,0,0|0,0,2]=4 8448 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [0,2,0,0,0,0|0,0,2]=4 8449 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [0,2,0,0,0,0|1,0,0]=3 8450 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [0,2,0,0,0,0|1,0,0]=3 8451 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [0,2,0,0,0,0|1,0,0]=3 8452 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [0,2,0,0,0,0|1,0,0]=3 8453 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [0,2,0,0,0,0|1,0,0]=3 8454 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [0,2,0,0,0,0|1,0,0]=3 8455 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [0,2,0,0,0,0|1,0,0]=3 8456 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [0,2,0,0,0,0|1,0,0]=3 8457 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [0,2,0,0,0,0|1,0,0]=3 8458 B10R0.4 C=CCCCCNCC(F)F 2230a_100000703577_100011934356 [0,2,0,0,0,0|2,0,0]=4 8459 B10R0.4 C=CCCCCNCC(F)F 34a_100000703577_100011934356 [0,2,0,0,0,0|2,0,0]=4 8460 B10R0.4 C=CCCCCNCC(F)F 34a_100000765723_100011215482 [0,2,0,0,0,0|2,0,0]=4 8461 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [0,2,0,0,0,0|1,0,0]=3 8462 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [0,2,0,0,0,0|1,0,0]=3 8463 B10R0.4 C=CCCCCOCC(=C)C 34a_100000210245_100011215482 [0,2,0,0,0,0|1,0,1]=4 8464 B10R0.4 C=CCCCCOCC(=C)C 34a_100000766645_100000748629 [0,2,0,0,0,0|1,0,1]=4 8465 B10R0.4 C=CCCCCOCC(=C)C 7a_100000766645_100000748629 [0,2,0,0,0,0|1,0,1]=4 8466 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,2,0,0,0,0|0,0,2]=4 8467 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [0,2,0,0,0,0|0,0,2]=4 8468 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [0,2,0,0,0,0|0,0,2]=4 8469 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [0,2,0,0,0,0|0,0,2]=4 8470 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,2,0,0,0,0|1,0,0]=3 8471 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,2,0,0,0,0|1,0,0]=3 8472 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,2,0,0,0,0|1,0,0]=3 8473 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,2,0,0,0,0|1,0,0]=3 8474 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,2,0,0,0,0|1,0,0]=3 8475 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,2,0,0,0,0|1,0,0]=3 8476 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,2,0,0,0,0|1,0,0]=3 8477 B10R0.4 C=CCCCCOCC(F)F 34a_100000743014_100011215482 [0,2,0,0,0,0|2,0,0]=4 8478 B10R0.4 C=CCCCCOCC(F)F 34a_100000766645_100011934356 [0,2,0,0,0,0|2,0,0]=4 8479 B10R0.4 C=CCCCCOCC(F)F 7a_100000766645_100011934356 [0,2,0,0,0,0|2,0,0]=4 8480 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,2,0,0,0,0|1,0,0]=3 8481 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,2,0,0,0,0|1,0,0]=3 8482 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,2,0,0,0,0|1,0,0]=3 8483 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,2,0,0,0,0|1,0,0]=3 8484 B10R0.4 C=CCCCCSCC(=C)C 62a_100000748629_100011215482 [0,2,0,0,0,0|1,0,1]=4 8485 B10R0.4 C=CCCCCSCC(=C)C 62a_100011215482_100000211660 [0,2,0,0,0,0|1,0,1]=4 8486 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [0,2,0,0,0,0|0,0,2]=4 8487 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [0,2,0,0,0,0|0,0,2]=4 8488 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [0,2,0,0,0,0|0,0,2]=4 8489 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [0,2,0,0,0,0|0,0,2]=4 8490 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [0,2,0,0,0,0|1,0,0]=3 8491 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [0,2,0,0,0,0|1,0,0]=3 8492 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [0,2,0,0,0,0|1,0,0]=3 8493 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [0,2,0,0,0,0|1,0,0]=3 8494 B10R0.4 C=CCCCCSCC(F)F 62a_100011215482_100011934356 [0,2,0,0,0,0|2,0,0]=4 8495 B10R0.4 C=CCCCCSCC(F)F 62a_100011934356_100011215482 [0,2,0,0,0,0|2,0,0]=4 8496 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [0,2,0,0,0,0|1,0,0]=3 8497 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [0,2,0,0,0,0|1,0,0]=3 8498 B10R0.4 C=CCCCNCCC(=C)C 2230a_100000700776_100000730704 [0,2,0,0,0,0|1,0,1]=4 8499 B10R0.4 C=CCCCNCCC(=C)C 34a_100000700776_100000730704 [0,2,0,0,0,0|1,0,1]=4 8500 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [0,2,0,0,0,0|0,0,2]=4 8501 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [0,2,0,0,0,0|0,0,2]=4 8502 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [0,2,0,0,0,0|1,0,0]=3 8503 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [0,2,0,0,0,0|1,0,0]=3 8504 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [0,2,0,0,0,0|1,0,0]=3 8505 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [0,2,0,0,0,0|1,0,0]=3 8506 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [0,2,0,0,0,0|1,0,0]=3 8507 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [0,2,0,0,0,0|1,0,0]=3 8508 B10R0.4 C=CCCCNCOC(C)C 2230a_100000700776_100000709892 [0,2,0,0,0,0|2,0,0]=4 8509 B10R0.4 C=CCCCNCOC(C)C 34a_100000700776_100000709892 [0,2,0,0,0,0|2,0,0]=4 8510 B10R0.4 C=CCCCOCCC(=C)C 34a_100000758997_100000730704 [0,2,0,0,0,0|1,0,1]=4 8511 B10R0.4 C=CCCCOCCC(=C)C 34a_100000764851_100000757094 [0,2,0,0,0,0|1,0,1]=4 8512 B10R0.4 C=CCCCOCCC(=C)C 7a_100000758997_100000730704 [0,2,0,0,0,0|1,0,1]=4 8513 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,2,0,0,0,0|0,0,2]=4 8514 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,2,0,0,0,0|0,0,2]=4 8515 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,2,0,0,0,0|0,0,2]=4 8516 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [0,2,0,0,0,0|0,0,2]=4 8517 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [0,2,0,0,0,0|0,0,2]=4 8518 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [0,2,0,0,0,0|0,0,2]=4 8519 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [0,2,0,0,0,0|0,0,2]=4 8520 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,2,0,0,0,0|1,0,0]=3 8521 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,2,0,0,0,0|1,0,0]=3 8522 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,2,0,0,0,0|1,0,0]=3 8523 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,2,0,0,0,0|1,0,0]=3 8524 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,2,0,0,0,0|1,0,0]=3 8525 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,2,0,0,0,0|1,0,0]=3 8526 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,2,0,0,0,0|1,0,0]=3 8527 B10R0.4 C=CCCCOCCC(F)F 34a_100103093639_100000757094 [0,2,0,0,0,0|2,0,0]=4 8528 B10R0.4 C=CCCCOCCN(C)C 7a_100000758997_100000755713 [0,2,0,0,0,0|2,0,0]=4 8529 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,2,0,0,0,0|1,0,0]=3 8530 B10R0.4 C=CCCCOCOC(C)C 34a_100000758997_100000709892 [0,2,0,0,0,0|2,0,0]=4 8531 B10R0.4 C=CCCCSCCC(=C)C 62a_100000730704_100000757094 [0,2,0,0,0,0|1,0,1]=4 8532 B10R0.4 C=CCCCSCCC(=C)C 62a_100011713584_100000730704 [0,2,0,0,0,0|1,0,1]=4 8533 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [0,2,0,0,0,0|0,0,2]=4 8534 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [0,2,0,0,0,0|0,0,2]=4 8535 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [0,2,0,0,0,0|0,0,2]=4 8536 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [0,2,0,0,0,0|0,0,2]=4 8537 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [0,2,0,0,0,0|1,0,0]=3 8538 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [0,2,0,0,0,0|1,0,0]=3 8539 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [0,2,0,0,0,0|1,0,0]=3 8540 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [0,2,0,0,0,0|1,0,0]=3 8541 B10R0.4 C=CCCCSCCN(C)C 62a_100011713584_100000755713 [0,2,0,0,0,0|2,0,0]=4 8542 B10R0.4 C=CCCCSCOC(C)C 62a_100000709892_100000757094 [0,2,0,0,0,0|2,0,0]=4 8543 B10R0.4 C=CCCCSCOC(C)C 62a_100011713584_100000709892 [0,2,0,0,0,0|2,0,0]=4 8544 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [0,2,0,0,0,0|0,0,2]=4 8545 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [0,2,0,0,0,0|1,0,0]=3 8546 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [0,2,0,0,0,0|1,0,0]=3 8547 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [0,2,0,0,0,0|1,0,0]=3 8548 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [0,2,0,0,0,0|1,0,0]=3 8549 B10R0.4 C=CCCNCCCS(=O)C 2230a_200000753449_100000754431 [0,2,0,0,0,0|2,0,0]=4 8550 B10R0.4 C=CCCNCCOC(C)C 2230a_100000701111_100000754431 [0,2,0,0,0,0|2,0,0]=4 8551 B10R0.4 C=CCCNCCOC(C)C 2230a_100015191253_100000211751 [0,2,0,0,0,0|2,0,0]=4 8552 B10R0.4 C=CCCNCCOC(C)C 34a_100000701111_100000754431 [0,2,0,0,0,0|2,0,0]=4 8553 B10R0.4 C=CCCNCCSC(C)C 2230a_100000731138_100000754431 [0,2,0,0,0,0|2,0,0]=4 8554 B10R0.4 C=CCCNCCSC(C)C 2230a_100015191253_100000730970 [0,2,0,0,0,0|2,0,0]=4 8555 B10R0.4 C=CCCNCCSC(C)C 34a_100000731138_100000754431 [0,2,0,0,0,0|2,0,0]=4 8556 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,2,0,0,0,0|0,0,2]=4 8557 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,2,0,0,0,0|0,0,2]=4 8558 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,2,0,0,0,0|0,0,2]=4 8559 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [0,2,0,0,0,0|0,0,2]=4 8560 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [0,2,0,0,0,0|1,0,0]=3 8561 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [0,2,0,0,0,0|1,0,0]=3 8562 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [0,2,0,0,0,0|1,0,0]=3 8563 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [0,2,0,0,0,0|1,0,0]=3 8564 B10R0.4 C=CCCOCCNC(C)C 34a_100000224655_100000754431 [0,2,0,0,0,0|2,0,0]=4 8565 B10R0.4 C=CCCOCCOC(C)C 34a_100000211219_100000754431 [0,2,0,0,0,0|2,0,0]=4 8566 B10R0.4 C=CCCOCCOC(C)C 34a_100011205117_100000211751 [0,2,0,0,0,0|2,0,0]=4 8567 B10R0.4 C=CCCOCCOC(C)C 7a_100000211219_100000754431 [0,2,0,0,0,0|2,0,0]=4 8568 B10R0.4 C=CCCOCCSC(C)C 34a_100011205117_100000730970 [0,2,0,0,0,0|2,0,0]=4 8569 B10R0.4 C=CCCOCCSC(C)C 34a_200011212901_100000754431 [0,2,0,0,0,0|2,0,0]=4 8570 B10R0.4 C=CCCOCCSC(C)C 7a_200011212901_100000754431 [0,2,0,0,0,0|2,0,0]=4 8571 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [0,2,0,0,0,0|0,0,2]=4 8572 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [0,2,0,0,0,0|0,0,2]=4 8573 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [0,2,0,0,0,0|0,0,2]=4 8574 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [0,2,0,0,0,0|0,0,2]=4 8575 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [0,2,0,0,0,0|1,0,0]=3 8576 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [0,2,0,0,0,0|1,0,0]=3 8577 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [0,2,0,0,0,0|1,0,0]=3 8578 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [0,2,0,0,0,0|1,0,0]=3 8579 B10R0.4 C=CCCSCCCN(C)C 62a_100000754431_100000757444 [0,2,0,0,0,0|2,0,0]=4 8580 B10R0.4 C=CCCSCCOC(C)C 62a_100000211751_100000754431 [0,2,0,0,0,0|2,0,0]=4 8581 B10R0.4 C=CCCSCCOC(C)C 62a_100000754431_100000211751 [0,2,0,0,0,0|2,0,0]=4 8582 B10R0.4 C=CCCSCCSC(C)C 62a_100000730970_100000754431 [0,2,0,0,0,0|2,0,0]=4 8583 B10R0.4 C=CCCSCCSC(C)C 62a_100000754431_100000730970 [0,2,0,0,0,0|2,0,0]=4 8584 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [0,2,0,0,0,0|0,0,2]=4 8585 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [0,2,0,0,0,0|1,0,0]=3 8586 B10R0.4 C=CCNCCCOC(C)C 2230a_100000737246_100000210623 [0,2,0,0,0,0|2,0,0]=4 8587 B10R0.4 C=CCNCCCOC(C)C 34a_100000737246_100015514636 [0,2,0,0,0,0|2,0,0]=4 8588 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,2,0,0,0,0|0,0,2]=4 8589 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [0,2,0,0,0,0|0,0,2]=4 8590 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [0,2,0,0,0,0|0,0,2]=4 8591 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,2,0,0,0,0|1,0,0]=3 8592 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,2,0,0,0,0|1,0,0]=3 8593 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,2,0,0,0,0|1,0,0]=3 8594 B10R0.4 C=CCOCCCNC(C)C 34a_100000182298_100015514636 [0,2,0,0,0,0|2,0,0]=4 8595 B10R0.4 C=CCOCCNCC(C)C 34a_100015185251_100015514636 [0,2,0,0,0,0|2,0,0]=4 8596 B10R0.4 C=CCOCCOCC(C)C 34a_100000037705_100000210624 [0,2,0,0,0,0|2,0,0]=4 8597 B10R0.4 C=CCOCCOCC(C)C 34a_100000703358_100015514636 [0,2,0,0,0,0|2,0,0]=4 8598 B10R0.4 C=CCOCCOCC(C)C 7a_100000037705_100000210760 [0,2,0,0,0,0|2,0,0]=4 8599 B10R0.4 C=CCOCCOCC(C)C 7a_100000703358_100015514636 [0,2,0,0,0,0|2,0,0]=4 8600 B10R0.4 C=CCOCCOCC(C)O 34a_100000037705_100011218427 [0,2,0,0,0,0|2,0,0]=4 8601 B10R0.4 C=CCOCCOCC(C)O 7a_100000037705_100011218427 [0,2,0,0,0,0|2,0,0]=4 8602 B10R0.4 C=CCOCCOC[C@@H](C)O 34a_100000037705_100009817552 [0,2,0,0,0,0|2,0,0]=4 8603 B10R0.4 C=CCOCCOC[C@@H](C)O 7a_100000037705_100009817552 [0,2,0,0,0,0|2,0,0]=4 8604 B10R0.4 C=CCOCCSCC(C)C 34a_200000230437_100015514636 [0,2,0,0,0,0|2,0,0]=4 8605 B10R0.4 C=CCOCCSCC(C)C 7a_200000230437_100015514636 [0,2,0,0,0,0|2,0,0]=4 8606 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,2,0,0,0,0|0,0,2]=4 8607 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,2,0,0,0,0|0,0,2]=4 8608 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [0,2,0,0,0,0|1,0,0]=3 8609 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [0,2,0,0,0,0|1,0,0]=3 8610 B10R0.4 C=CCSCCCCN(C)C 62a_100000210623_100000690147 [0,2,0,0,0,0|2,0,0]=4 8611 B10R0.4 C=COCCCCOC(C)C 34a_100000031558_100000210206 [0,2,0,0,0,0|2,0,0]=4 8612 B10R0.4 C=COCCCCOC(C)C 7a_100000031558_100000210206 [0,2,0,0,0,0|2,0,0]=4 8613 B10R0.4 C=COCCCNCC(C)C 2230a_100000210767_100000210760 [0,2,0,0,0,0|2,0,0]=4 8614 B10R0.4 C=COCCCNCC(C)C 270004a_100000210767_100000210432 [0,2,0,0,0,0|2,0,0]=4 8615 B10R0.4 C=COCCCNCC(C)C 34a_100000210767_100000210624 [0,2,0,0,0,0|2,0,0]=4 8616 B10R0.4 C=COCCCNCC(C)O 2230a_100000210767_100011218427 [0,2,0,0,0,0|2,0,0]=4 8617 B10R0.4 C=COCCCNCC(C)O 34a_100000210767_100011218427 [0,2,0,0,0,0|2,0,0]=4 8618 B10R0.4 C=COCCCNC[C@@H](C)O 2230a_100000210767_100009817552 [0,2,0,0,0,0|2,0,0]=4 8619 B10R0.4 C=COCCCNC[C@@H](C)O 34a_100000210767_100009817552 [0,2,0,0,0,0|2,0,0]=4 8620 B10R0.4 C=COCCNCCC(C)O 2230a_200000755665_100000039644 [0,2,0,0,0,0|2,0,0]=4 8621 B10R0.4 C=COCCOCCC(C)Br 34a_100009893172_100000039644 [0,2,0,0,0,0|2,0,0]=4 8622 B10R0.4 C=COCCOCCC(C)C 34a_100000033082_100000210312 [0,2,0,0,0,0|2,0,0]=4 8623 B10R0.4 C=COCCOCCC(C)C 34a_100000210254_100000039644 [0,2,0,0,0,0|2,0,0]=4 8624 B10R0.4 C=COCCOCCC(C)C 7a_100000210254_100000039644 [0,2,0,0,0,0|2,0,0]=4 8625 B10R0.4 C=COCCOCCC(C)O 34a_100000033082_100012276601 [0,2,0,0,0,0|2,0,0]=4 8626 B10R0.4 C=COCCOCC[C@@H](C)N 34a_100000706166_100000039644 [0,2,0,0,0,0|2,0,0]=4 8627 B10R0.4 C=COCCSCCC(C)C 62a_100000039644_100000210312 [0,2,0,0,0,0|2,0,0]=4 8628 B10R0.4 C=COCCSCCC(C)C 62a_100000210312_100000039644 [0,2,0,0,0,0|2,0,0]=4 8629 B10R0.4 C=COCCSCCC(C)O 62a_100000039644_100012276601 [0,2,0,0,0,0|2,0,0]=4 8630 B10R0.4 C=COCCSCCC(C)O 62a_100012276601_100000039644 [0,2,0,0,0,0|2,0,0]=4 8631 B10R0.4 CC#CCCOCCC(=O)N 34a_100000750427_100000731001 [0,2,0,0,0,0|0,0,2]=4 8632 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [0,2,0,0,0,0|0,0,2]=4 8633 B10R0.4 CC#CCNCCCC(=O)N 34a_100000685387_100102525003 [0,2,0,0,0,0|0,0,2]=4 8634 B10R0.4 CC#CCNCCCC(=O)N 34a_100000739312_100000748600 [0,2,0,0,0,0|0,0,2]=4 8635 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,2,0,0,0,0|0,0,2]=4 8636 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,2,0,0,0,0|0,0,2]=4 8637 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,2,0,0,0,0|0,0,2]=4 8638 B10R0.4 CC#CCOCCCC(=O)N 34a_100000761923_100102525003 [0,2,0,0,0,0|0,0,2]=4 8639 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [0,2,0,0,0,0|0,0,2]=4 8640 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [0,2,0,0,0,0|0,0,2]=4 8641 B10R0.4 CC#CCSCCCC(=O)N 62a_100000748600_100102525003 [0,2,0,0,0,0|0,0,2]=4 8642 B10R0.4 CC#CCSCCCC(=O)N 62a_100102525003_100000748600 [0,2,0,0,0,0|0,0,2]=4 8643 B10R0.4 CC(=CCSCCCC=O)C 62a_100000761012_200011292268 [0,2,0,0,0,0|0,0,2]=4 8644 B10R0.4 CC(=CCSCCCC=O)C 62a_200011292268_100000761012 [0,2,0,0,0,0|0,0,2]=4 8645 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,2,0,0,0,0|0,0,1]=3 8646 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,0,0,0,0|0,0,0]=2 8647 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,0,0,0,0|0,0,0]=2 8648 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [0,2,0,0,0,0|2,0,0]=4 8649 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,2,0,0,0,0|1,0,0]=3 8650 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,2,0,0,0,0|1,0,0]=3 8651 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,2,0,0,0,0|1,0,0]=3 8652 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,2,0,0,0,0|1,0,0]=3 8653 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [0,2,0,0,0,0|1,0,1]=4 8654 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [0,2,0,0,0,0|1,0,1]=4 8655 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,2,0,0,0,0|0,0,1]=3 8656 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,2,0,0,0,0|0,0,1]=3 8657 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,2,0,0,0,0|1,0,0]=3 8658 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,2,0,0,0,0|1,0,0]=3 8659 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,2,0,0,0,0|1,0,0]=3 8660 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,2,0,0,0,0|1,0,0]=3 8661 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,2,0,0,0,0|1,0,0]=3 8662 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,2,0,0,0,0|1,0,1]=4 8663 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,2,0,0,0,0|1,0,0]=3 8664 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,2,0,0,0,0|1,0,0]=3 8665 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,2,0,0,0,0|1,0,0]=3 8666 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,2,0,0,0,0|1,0,0]=3 8667 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,2,0,0,0,0|1,0,0]=3 8668 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,2,0,0,0,0|1,0,0]=3 8669 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,2,0,0,0,0|1,0,0]=3 8670 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,2,0,0,0,0|1,0,0]=3 8671 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,2,0,0,0,0|2,0,0]=4 8672 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [0,2,0,0,0,0|1,0,1]=4 8673 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [0,2,0,0,0,0|1,0,1]=4 8674 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,2,0,0,0,0|1,0,0]=3 8675 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,2,0,0,0,0|1,0,0]=3 8676 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,2,0,0,0,0|1,0,0]=3 8677 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,2,0,0,0,0|1,0,0]=3 8678 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,2,0,0,0,0|1,0,1]=4 8679 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,2,0,0,0,0|0,0,1]=3 8680 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|1,0,0]=3 8681 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|1,0,0]=3 8682 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|1,0,0]=3 8683 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|1,0,0]=3 8684 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|1,0,0]=3 8685 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|1,0,0]=3 8686 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [0,2,0,0,0,0|1,0,1]=4 8687 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [0,2,0,0,0,0|1,0,1]=4 8688 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,2,0,0,0,0|0,0,1]=3 8689 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,2,0,0,0,0|0,0,1]=3 8690 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,2,0,0,0,0|1,0,0]=3 8691 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,2,0,0,0,0|1,0,0]=3 8692 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,2,0,0,0,0|1,0,0]=3 8693 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,2,0,0,0,0|1,0,0]=3 8694 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,0,0,0,0|1,0,0]=3 8695 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,0,0,0,0|1,0,0]=3 8696 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,2,0,0,0,0|2,0,0]=4 8697 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,2,0,0,0,0|2,0,0]=4 8698 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 8699 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 8700 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 8701 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,2,0,0,0,0|1,0,1]=4 8702 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,2,0,0,0,0|1,0,0]=3 8703 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,2,0,0,0,0|1,0,0]=3 8704 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,2,0,0,0,0|1,0,0]=3 8705 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,2,0,0,0,0|1,0,0]=3 8706 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,2,0,0,0,0|2,0,0]=4 8707 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [0,2,0,0,0,0|1,0,1]=4 8708 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,2,0,0,0,0|2,0,0]=4 8709 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,2,0,0,0,0|2,0,0]=4 8710 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [0,2,0,0,0,0|1,0,1]=4 8711 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,2,0,0,0,0|2,0,0]=4 8712 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,2,0,0,0,0|2,0,0]=4 8713 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,2,0,0,0,0|2,0,0]=4 8714 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,2,0,0,0,0|2,0,0]=4 8715 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,2,0,0,0,0|2,0,0]=4 8716 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,2,0,0,0,0|2,0,0]=4 8717 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,2,0,0,0,0|2,0,0]=4 8718 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,2,0,0,0,0|2,0,0]=4 8719 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,2,0,0,0,0|2,0,0]=4 8720 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,2,0,0,0,0|2,0,0]=4 8721 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,2,0,0,0,0|2,0,0]=4 8722 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,0,0,0,0|1,0,0]=3 8723 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,0,0,0,0|1,0,0]=3 8724 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,2,0,0,0,0|2,0,0]=4 8725 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,2,0,0,0,0|2,0,0]=4 8726 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,2,0,0,0,0|2,0,0]=4 8727 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,2,0,0,0,0|2,0,0]=4 8728 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,2,0,0,0,0|2,0,0]=4 8729 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,2,0,0,0,0|2,0,0]=4 8730 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,2,0,0,0,0|2,0,0]=4 8731 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,2,0,0,0,0|2,0,0]=4 8732 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,2,0,0,0,0|1,0,1]=4 8733 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,2,0,0,0,0|1,0,1]=4 8734 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,2,0,0,0,0|2,0,0]=4 8735 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,2,0,0,0,0|2,0,0]=4 8736 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,2,0,0,0,0|2,0,0]=4 8737 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,2,0,0,0,0|2,0,0]=4 8738 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,2,0,0,0,0|2,0,0]=4 8739 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,2,0,0,0,0|2,0,0]=4 8740 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,2,0,0,0,0|2,0,0]=4 8741 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,2,0,0,0,0|2,0,0]=4 8742 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,2,0,0,0,0|2,0,0]=4 8743 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,2,0,0,0,0|2,0,0]=4 8744 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,2,0,0,0,0|2,0,0]=4 8745 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,2,0,0,0,0|2,0,0]=4 8746 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,2,0,0,0,0|2,0,0]=4 8747 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,2,0,0,0,0|2,0,0]=4 8748 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,2,0,0,0,0|2,0,0]=4 8749 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,2,0,0,0,0|2,0,0]=4 8750 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,2,0,0,0,0|2,0,0]=4 8751 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,2,0,0,0,0|2,0,0]=4 8752 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,2,0,0,0,0|2,0,0]=4 8753 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,2,0,0,0,0|2,0,0]=4 8754 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,2,0,0,0,0|2,0,0]=4 8755 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,2,0,0,0,0|1,0,1]=4 8756 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,2,0,0,0,0|1,0,1]=4 8757 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,2,0,0,0,0|2,0,0]=4 8758 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,2,0,0,0,0|2,0,0]=4 8759 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,2,0,0,0,0|2,0,0]=4 8760 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,2,0,0,0,0|2,0,0]=4 8761 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,2,0,0,0,0|2,0,0]=4 8762 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,2,0,0,0,0|2,0,0]=4 8763 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,2,0,0,0,0|2,0,0]=4 8764 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,2,0,0,0,0|2,0,0]=4 8765 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,2,0,0,0,0|2,0,0]=4 8766 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,2,0,0,0,0|2,0,0]=4 8767 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,2,0,0,0,0|2,0,0]=4 8768 B10R0.4 CC(=O)SCCCSCC=O 62a_100000038929_200015260668 [0,2,0,0,0,0|1,0,1]=4 8769 B10R0.4 CC(=O)SCCCSCC=O 62a_200015260668_100000038929 [0,2,0,0,0,0|1,0,1]=4 8770 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,2,0,0,0,0|2,0,0]=4 8771 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,2,0,0,0,0|2,0,0]=4 8772 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,2,0,0,0,0|2,0,0]=4 8773 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,2,0,0,0,0|2,0,0]=4 8774 B10R0.4 CC(=S)OCCCSCC=O 62a_200015260668_200135323944 [0,2,0,0,0,0|1,0,1]=4 8775 B10R0.4 CC(=S)OCCCSCC=O 62a_200135323944_200015260668 [0,2,0,0,0,0|1,0,1]=4 8776 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [0,2,0,0,0,0|1,0,1]=4 8777 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,2,0,0,0,0|0,0,2]=4 8778 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,2,0,0,0,0|1,0,1]=4 8779 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,2,0,0,0,0|0,0,2]=4 8780 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,2,0,0,0,0|1,0,1]=4 8781 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,2,0,0,0,0|1,0,1]=4 8782 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [0,2,0,0,0,0|1,0,1]=4 8783 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,2,0,0,0,0|1,0,1]=4 8784 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,2,0,0,0,0|1,0,1]=4 8785 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [0,2,0,0,0,0|1,0,1]=4 8786 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [0,2,0,0,0,0|1,0,1]=4 8787 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [0,2,0,0,0,0|1,0,1]=4 8788 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,2,0,0,0,0|0,0,2]=4 8789 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,2,0,0,0,0|0,0,2]=4 8790 B10R0.4 CC(C)CCCCOCC#N 7a_100011214890_100011215382 [0,2,0,0,0,0|1,0,1]=4 8791 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,2,0,0,0,0|0,0,0]=2 8792 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,2,0,0,0,0|0,0,0]=2 8793 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,2,0,0,0,0|1,0,1]=4 8794 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,2,0,0,0,0|1,0,1]=4 8795 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,2,0,0,0,0|1,0,1]=4 8796 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,2,0,0,0,0|1,0,1]=4 8797 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,2,0,0,0,0|0,0,2]=4 8798 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,2,0,0,0,0|0,0,2]=4 8799 B10R0.4 CC(C)CCCCSCC#N 62a_100011215382_100011216152 [0,2,0,0,0,0|1,0,1]=4 8800 B10R0.4 CC(C)CCCCSCC#N 62a_100011216152_100011215382 [0,2,0,0,0,0|1,0,1]=4 8801 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,2,0,0,0,0|0,0,0]=2 8802 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,2,0,0,0,0|0,0,0]=2 8803 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [0,2,0,0,0,0|1,0,1]=4 8804 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [0,2,0,0,0,0|1,0,1]=4 8805 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,2,0,0,0,0|0,0,2]=4 8806 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,2,0,0,0,0|0,0,2]=4 8807 B10R0.4 CC(C)CCCNCCC#N 2230a_200000737386_100011215226 [0,2,0,0,0,0|1,0,1]=4 8808 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [0,2,0,0,0,0|1,0,1]=4 8809 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [0,2,0,0,0,0|1,0,1]=4 8810 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [0,2,0,0,0,0|1,0,1]=4 8811 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [0,2,0,0,0,0|1,0,1]=4 8812 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,2,0,0,0,0|0,0,2]=4 8813 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,2,0,0,0,0|0,0,2]=4 8814 B10R0.4 CC(C)CCCOCCC#N 7a_100000210774_100000184422 [0,2,0,0,0,0|1,0,1]=4 8815 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [0,2,0,0,0,0|1,0,1]=4 8816 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [0,2,0,0,0,0|1,0,1]=4 8817 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [0,2,0,0,0,0|1,0,1]=4 8818 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [0,2,0,0,0,0|1,0,1]=4 8819 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [0,2,0,0,0,0|1,0,1]=4 8820 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [0,2,0,0,0,0|1,0,1]=4 8821 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,2,0,0,0,0|0,0,2]=4 8822 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,2,0,0,0,0|0,0,2]=4 8823 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [0,2,0,0,0,0|2,0,0]=4 8824 B10R0.4 CC(C)CCCSCCC#N 62a_100011214892_100011215226 [0,2,0,0,0,0|1,0,1]=4 8825 B10R0.4 CC(C)CCCSCCC#N 62a_100011215226_100011214892 [0,2,0,0,0,0|1,0,1]=4 8826 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [0,2,0,0,0,0|1,0,1]=4 8827 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [0,2,0,0,0,0|1,0,1]=4 8828 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,2,0,0,0,0|0,0,2]=4 8829 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,2,0,0,0,0|0,0,2]=4 8830 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,2,0,0,0,0|0,0,2]=4 8831 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,2,0,0,0,0|0,0,2]=4 8832 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,2,0,0,0,0|0,0,2]=4 8833 B10R0.4 CC(C)CCOCCCC#N 7a_100000210254_100000687738 [0,2,0,0,0,0|1,0,1]=4 8834 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,2,0,0,0,0|0,0,0]=2 8835 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [0,2,0,0,0,0|1,0,1]=4 8836 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [0,2,0,0,0,0|1,0,1]=4 8837 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [0,2,0,0,0,0|1,0,1]=4 8838 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [0,2,0,0,0,0|1,0,1]=4 8839 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [0,2,0,0,0,0|1,0,1]=4 8840 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [0,2,0,0,0,0|1,0,1]=4 8841 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [0,2,0,0,0,0|1,0,1]=4 8842 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [0,2,0,0,0,0|1,0,1]=4 8843 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [0,2,0,0,0,0|1,0,1]=4 8844 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,2,0,0,0,0|0,0,2]=4 8845 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,2,0,0,0,0|0,0,2]=4 8846 B10R0.4 CC(C)CCSCCCC#N 62a_100000210312_100000687738 [0,2,0,0,0,0|1,0,1]=4 8847 B10R0.4 CC(C)CCSCCCC#N 62a_100000687738_100000210312 [0,2,0,0,0,0|1,0,1]=4 8848 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,2,0,0,0,0|0,0,0]=2 8849 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,2,0,0,0,0|0,0,0]=2 8850 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [0,2,0,0,0,0|1,0,1]=4 8851 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [0,2,0,0,0,0|1,0,1]=4 8852 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,2,0,0,0,0|0,0,2]=4 8853 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,2,0,0,0,0|0,0,2]=4 8854 B10R0.4 CC(C)CNCCCCC#N 2230a_100000210953_100000211819 [0,2,0,0,0,0|1,0,1]=4 8855 B10R0.4 CC(C)CNCCCCC#N 270004a_100000751965_100000210432 [0,2,0,0,0,0|1,0,1]=4 8856 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,2,0,0,0,0|0,0,0]=2 8857 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [0,2,0,0,0,0|1,0,1]=4 8858 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [0,2,0,0,0,0|1,0,1]=4 8859 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,2,0,0,0,0|0,0,2]=4 8860 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,2,0,0,0,0|0,0,2]=4 8861 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,2,0,0,0,0|0,0,2]=4 8862 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,2,0,0,0,0|0,0,2]=4 8863 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,2,0,0,0,0|0,0,2]=4 8864 B10R0.4 CC(C)CNCCOCC=O 34a_100015185251_200009817547 [0,2,0,0,0,0|1,0,0]=3 8865 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,2,0,0,0,0|1,0,1]=4 8866 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,2,0,0,0,0|1,0,1]=4 8867 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,2,0,0,0,0|1,0,1]=4 8868 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,2,0,0,0,0|1,0,1]=4 8869 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,2,0,0,0,0|1,0,1]=4 8870 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,2,0,0,0,0|1,0,1]=4 8871 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,2,0,0,0,0|1,0,1]=4 8872 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,2,0,0,0,0|1,0,1]=4 8873 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,2,0,0,0,0|0,0,2]=4 8874 B10R0.4 CC(C)COCCOCC=O 34a_100000703358_200009817547 [0,2,0,0,0,0|1,0,0]=3 8875 B10R0.4 CC(C)COCCOCC=O 7a_100000703358_200015260668 [0,2,0,0,0,0|1,0,0]=3 8876 B10R0.4 CC(C)CSCCCCC#N 62a_100000210624_100000211819 [0,2,0,0,0,0|1,0,1]=4 8877 B10R0.4 CC(C)CSCCCCC#N 62a_100011219923_100000210760 [0,2,0,0,0,0|1,0,1]=4 8878 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,2,0,0,0,0|0,0,0]=2 8879 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,2,0,0,0,0|0,0,0]=2 8880 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [0,2,0,0,0,0|1,0,1]=4 8881 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [0,2,0,0,0,0|1,0,1]=4 8882 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,2,0,0,0,0|0,0,2]=4 8883 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,2,0,0,0,0|0,0,2]=4 8884 B10R0.4 CC(C)CSCCOCC=O 34a_200000230437_200009817547 [0,2,0,0,0,0|1,0,0]=3 8885 B10R0.4 CC(C)CSCCOCC=O 7a_200000230437_200015260668 [0,2,0,0,0,0|1,0,0]=3 8886 B10R0.4 CC(C)NCCCCCC#N 2230a_100138425928_100009813376 [0,2,0,0,0,0|1,0,1]=4 8887 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,2,0,0,0,0|0,0,0]=2 8888 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,2,0,0,0,0|1,0,1]=4 8889 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,2,0,0,0,0|1,0,1]=4 8890 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,2,0,0,0,0|0,0,2]=4 8891 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,2,0,0,0,0|0,0,2]=4 8892 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,2,0,0,0,0|0,0,2]=4 8893 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,2,0,0,0,0|0,0,2]=4 8894 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 8895 B10R0.4 CC(C)NCCCOCC=O 34a_100000182298_200009817547 [0,2,0,0,0,0|1,0,0]=3 8896 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,2,0,0,0,0|1,0,1]=4 8897 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,2,0,0,0,0|1,0,1]=4 8898 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,2,0,0,0,0|1,0,1]=4 8899 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,2,0,0,0,0|1,0,1]=4 8900 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,2,0,0,0,0|1,0,1]=4 8901 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,2,0,0,0,0|1,0,1]=4 8902 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,2,0,0,0,0|1,0,1]=4 8903 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,2,0,0,0,0|1,0,1]=4 8904 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,2,0,0,0,0|0,0,2]=4 8905 B10R0.4 CC(C)OCCCNCC=O 2230a_100000737246_200015260668 [0,2,0,0,0,0|1,0,0]=3 8906 B10R0.4 CC(C)OCCCNCC=O 34a_100000737246_200009817547 [0,2,0,0,0,0|1,0,0]=3 8907 B10R0.4 CC(C)OCSCCCC=O 62a_100000709892_200011292268 [0,2,0,0,0,0|1,0,0]=3 8908 B10R0.4 CC(C)OCSCCCC=O 62a_200011292268_100000709892 [0,2,0,0,0,0|1,0,0]=3 8909 B10R0.4 CC(C)SCCCCCC#N 62a_100000210206_100009813376 [0,2,0,0,0,0|1,0,1]=4 8910 B10R0.4 CC(C)SCCCCCC#N 62a_100009813376_100000210206 [0,2,0,0,0,0|1,0,1]=4 8911 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,2,0,0,0,0|0,0,0]=2 8912 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,2,0,0,0,0|0,0,0]=2 8913 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,2,0,0,0,0|1,0,1]=4 8914 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,2,0,0,0,0|1,0,1]=4 8915 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,2,0,0,0,0|0,0,2]=4 8916 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,2,0,0,0,0|0,0,2]=4 8917 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,2,0,0,0,0|1,0,1]=4 8918 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,2,0,0,0,0|0,0,2]=4 8919 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,2,0,0,0,0|1,0,1]=4 8920 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,2,0,0,0,0|1,0,1]=4 8921 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,2,0,0,0,0|1,0,1]=4 8922 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,2,0,0,0,0|1,0,1]=4 8923 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,2,0,0,0,0|1,0,1]=4 8924 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,2,0,0,0,0|1,0,1]=4 8925 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,2,0,0,0,0|2,0,0]=4 8926 B10R0.4 CC(O)CCCSCCC#N 62a_100011215226_200000718107 [0,2,0,0,0,0|1,0,1]=4 8927 B10R0.4 CC(O)CCCSCCC#N 62a_200000718107_100011215226 [0,2,0,0,0,0|1,0,1]=4 8928 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,2,0,0,0,0|1,0,1]=4 8929 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,2,0,0,0,0|1,0,1]=4 8930 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,2,0,0,0,0|0,0,2]=4 8931 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,2,0,0,0,0|0,0,2]=4 8932 B10R0.4 CC(O)CCNCCCC#N 2230a_200000755665_100000687738 [0,2,0,0,0,0|1,0,1]=4 8933 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,2,0,0,0,0|0,0,0]=2 8934 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,2,0,0,0,0|1,0,1]=4 8935 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,2,0,0,0,0|0,0,2]=4 8936 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,2,0,0,0,0|0,0,2]=4 8937 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,2,0,0,0,0|0,0,2]=4 8938 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,2,0,0,0,0|1,0,1]=4 8939 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,2,0,0,0,0|1,0,1]=4 8940 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,2,0,0,0,0|1,0,1]=4 8941 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,2,0,0,0,0|1,0,1]=4 8942 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,2,0,0,0,0|1,0,1]=4 8943 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,2,0,0,0,0|1,0,1]=4 8944 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,2,0,0,0,0|1,0,1]=4 8945 B10R0.4 CC(O)CCSCCCC#N 62a_100000687738_100012276601 [0,2,0,0,0,0|1,0,1]=4 8946 B10R0.4 CC(O)CCSCCCC#N 62a_100012276601_100000687738 [0,2,0,0,0,0|1,0,1]=4 8947 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,2,0,0,0,0|0,0,0]=2 8948 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,2,0,0,0,0|0,0,0]=2 8949 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,2,0,0,0,0|1,0,1]=4 8950 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,2,0,0,0,0|1,0,1]=4 8951 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,2,0,0,0,0|0,0,2]=4 8952 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,2,0,0,0,0|0,0,2]=4 8953 B10R0.4 CC(O)CNCCCCC#N 2230a_100000210904_100000211819 [0,2,0,0,0,0|1,0,1]=4 8954 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,2,0,0,0,0|0,0,0]=2 8955 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,2,0,0,0,0|1,0,1]=4 8956 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,2,0,0,0,0|1,0,1]=4 8957 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,2,0,0,0,0|0,0,2]=4 8958 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,2,0,0,0,0|0,0,2]=4 8959 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,2,0,0,0,0|0,0,2]=4 8960 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,2,0,0,0,0|0,0,2]=4 8961 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,2,0,0,0,0|1,0,1]=4 8962 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,2,0,0,0,0|1,0,1]=4 8963 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,2,0,0,0,0|1,0,1]=4 8964 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,2,0,0,0,0|1,0,1]=4 8965 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,2,0,0,0,0|1,0,1]=4 8966 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,2,0,0,0,0|1,0,1]=4 8967 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,2,0,0,0,0|1,0,1]=4 8968 B10R0.4 CC(O)CSCCCCC#N 62a_100011218427_100000211819 [0,2,0,0,0,0|1,0,1]=4 8969 B10R0.4 CC(O)CSCCCCC#N 62a_100011219923_100011218427 [0,2,0,0,0,0|1,0,1]=4 8970 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,2,0,0,0,0|0,0,0]=2 8971 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,2,0,0,0,0|0,0,0]=2 8972 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,2,0,0,0,0|1,0,1]=4 8973 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,2,0,0,0,0|1,0,1]=4 8974 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,2,0,0,0,0|0,0,2]=4 8975 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,2,0,0,0,0|0,0,2]=4 8976 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [0,2,0,0,0,0|0,0,2]=4 8977 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,2,0,0,0,0|0,0,2]=4 8978 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,2,0,0,0,0|0,0,2]=4 8979 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,2,0,0,0,0|0,0,2]=4 8980 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,2,0,0,0,0|0,0,2]=4 8981 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,2,0,0,0,0|0,0,2]=4 8982 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [0,2,0,0,0,0|0,0,2]=4 8983 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [0,2,0,0,0,0|0,0,2]=4 8984 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [0,2,0,0,0,0|0,0,2]=4 8985 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [0,2,0,0,0,0|0,0,2]=4 8986 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,2,0,0,0,0|0,0,2]=4 8987 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,2,0,0,0,0|0,0,2]=4 8988 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [0,2,0,0,0,0|0,0,2]=4 8989 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [0,2,0,0,0,0|0,0,2]=4 8990 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [0,2,0,0,0,0|0,0,2]=4 8991 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,2,0,0,0,0|0,0,2]=4 8992 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,2,0,0,0,0|0,0,2]=4 8993 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [0,2,0,0,0,0|0,0,2]=4 8994 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [0,2,0,0,0,0|0,0,2]=4 8995 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,2,0,0,0,0|0,0,2]=4 8996 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,2,0,0,0,0|0,0,2]=4 8997 B10R0.4 CC=CCCCOCC(C)C 34a_100020645299_100000210624 [0,2,0,0,0,0|1,0,1]=4 8998 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,2,0,0,0,0|1,0,1]=4 8999 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,2,0,0,0,0|1,0,1]=4 9000 B10R0.4 CC=CCNCCCC(=O)N 34a_100000739312_100000070051 [0,2,0,0,0,0|0,0,2]=4 9001 B10R0.4 CC=CCNCCCC(C)C 2230a_200000737386_100000070051 [0,2,0,0,0,0|1,0,1]=4 9002 B10R0.4 CC=CCNCCCC(C)C 34a_200000737386_100000070051 [0,2,0,0,0,0|1,0,1]=4 9003 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,2,0,0,0,0|0,0,2]=4 9004 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,2,0,0,0,0|0,0,2]=4 9005 B10R0.4 CC=CCOCCCC(C)C 34a_100000210774_100000070051 [0,2,0,0,0,0|1,0,1]=4 9006 B10R0.4 CC=CCOCCCC(C)C 7a_100000210774_100000070051 [0,2,0,0,0,0|1,0,1]=4 9007 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,2,0,0,0,0|0,0,2]=4 9008 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,2,0,0,0,0|0,0,2]=4 9009 B10R0.4 CC=CCSCCCC(=O)N 62a_100000070051_100102525003 [0,2,0,0,0,0|0,0,2]=4 9010 B10R0.4 CC=CCSCCCC(=O)N 62a_100102525003_100000070051 [0,2,0,0,0,0|0,0,2]=4 9011 B10R0.4 CC=CCSCCCC(C)C 62a_100000070051_100011214892 [0,2,0,0,0,0|1,0,1]=4 9012 B10R0.4 CC=CCSCCCC(C)C 62a_100011214892_100000070051 [0,2,0,0,0,0|1,0,1]=4 9013 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,2,0,0,0,0|1,0,1]=4 9014 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,2,0,0,0,0|1,0,1]=4 9015 B10R0.4 CCC#CCCOCC(=O)N 34a_100000036655_100000187820 [0,2,0,0,0,0|0,0,2]=4 9016 B10R0.4 CCC#CCCOCC(=O)N 7a_100000036655_100000187820 [0,2,0,0,0,0|0,0,2]=4 9017 B10R0.4 CCC#CCCOCC(=O)[O-] 34a_100000036655_100020667443 [0,2,0,0,0,0|0,0,2]=4 9018 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [0,2,0,0,0,0|0,0,2]=4 9019 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [0,2,0,0,0,0|0,0,2]=4 9020 B10R0.4 CCC#CCOCCC(=O)N 34a_100000032950_100000731001 [0,2,0,0,0,0|0,0,2]=4 9021 B10R0.4 CCC#CCOCCC(=O)N 34a_100000757172_100009813939 [0,2,0,0,0,0|0,0,2]=4 9022 B10R0.4 CCC#CCOCCC(=O)N 7a_100000757172_100009813939 [0,2,0,0,0,0|0,0,2]=4 9023 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [0,2,0,0,0,0|0,0,2]=4 9024 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [0,2,0,0,0,0|0,0,2]=4 9025 B10R0.4 CCC#CCSCCC(=O)N 62a_100000744528_100009813939 [0,2,0,0,0,0|0,0,2]=4 9026 B10R0.4 CCC#CCSCCC(=O)N 62a_100009813939_100000744528 [0,2,0,0,0,0|0,0,2]=4 9027 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,2,0,0,0,0|0,0,2]=4 9028 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,2,0,0,0,0|0,0,2]=4 9029 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,2,0,0,0,0|0,0,2]=4 9030 B10R0.4 CCCC#CCOCC(=O)N 34a_100000034806_100000187820 [0,2,0,0,0,0|0,0,2]=4 9031 B10R0.4 CCCC#CCOCC(=O)N 7a_100000034806_100000187820 [0,2,0,0,0,0|0,0,2]=4 9032 B10R0.4 CCCC#CCOCC(=O)[O-] 34a_100000034806_100020667443 [0,2,0,0,0,0|0,0,2]=4 9033 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,2,0,0,0,0|0,0,1]=3 9034 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,2,0,0,0,0|0,0,1]=3 9035 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,2,0,0,0,0|0,0,1]=3 9036 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,2,0,0,0,0|1,0,1]=4 9037 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,2,0,0,0,0|0,0,1]=3 9038 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,2,0,0,0,0|0,0,1]=3 9039 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,2,0,0,0,0|0,0,0]=2 9040 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,2,0,0,0,0|0,0,0]=2 9041 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,2,0,0,0,0|0,0,0]=2 9042 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,2,0,0,0,0|1,0,1]=4 9043 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,2,0,0,0,0|1,0,1]=4 9044 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,2,0,0,0,0|1,0,1]=4 9045 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,2,0,0,0,0|1,0,1]=4 9046 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,2,0,0,0,0|1,0,1]=4 9047 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,2,0,0,0,0|1,0,1]=4 9048 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,2,0,0,0,0|0,0,0]=2 9049 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,2,0,0,0,0|0,0,0]=2 9050 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,2,0,0,0,0|0,0,0]=2 9051 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,2,0,0,0,0|0,0,0]=2 9052 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,2,0,0,0,0|1,0,1]=4 9053 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,2,0,0,0,0|1,0,1]=4 9054 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,2,0,0,0,0|1,0,1]=4 9055 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,2,0,0,0,0|1,0,1]=4 9056 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,2,0,0,0,0|1,0,1]=4 9057 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,2,0,0,0,0|1,0,1]=4 9058 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,2,0,0,0,0|1,0,1]=4 9059 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,2,0,0,0,0|1,0,1]=4 9060 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,2,0,0,0,0|0,0,0]=2 9061 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,2,0,0,0,0|0,0,0]=2 9062 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,2,0,0,0,0|0,0,0]=2 9063 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,2,0,0,0,0|1,0,1]=4 9064 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,2,0,0,0,0|1,0,1]=4 9065 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,2,0,0,0,0|1,0,1]=4 9066 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,2,0,0,0,0|1,0,1]=4 9067 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,2,0,0,0,0|0,0,2]=4 9068 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,2,0,0,0,0|0,0,2]=4 9069 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,2,0,0,0,0|0,0,2]=4 9070 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [0,2,0,0,0,0|1,0,1]=4 9071 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [0,2,0,0,0,0|1,0,1]=4 9072 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,2,0,0,0,0|0,0,2]=4 9073 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,0,0,0,0|0,0,0]=2 9074 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,2,0,0,0,0|0,0,0]=2 9075 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,2,0,0,0,0|0,0,0]=2 9076 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,2,0,0,0,0|0,0,0]=2 9077 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,2,0,0,0,0|1,0,1]=4 9078 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,2,0,0,0,0|1,0,1]=4 9079 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,2,0,0,0,0|1,0,1]=4 9080 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,2,0,0,0,0|1,0,1]=4 9081 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,2,0,0,0,0|1,0,1]=4 9082 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,2,0,0,0,0|0,0,2]=4 9083 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,2,0,0,0,0|0,0,2]=4 9084 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,2,0,0,0,0|1,0,1]=4 9085 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,2,0,0,0,0|1,0,1]=4 9086 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,2,0,0,0,0|1,0,1]=4 9087 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,2,0,0,0,0|1,0,1]=4 9088 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,2,0,0,0,0|1,0,1]=4 9089 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,2,0,0,0,0|0,0,2]=4 9090 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,2,0,0,0,0|0,0,2]=4 9091 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,2,0,0,0,0|1,0,0]=3 9092 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,2,0,0,0,0|0,0,0]=2 9093 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,2,0,0,0,0|0,0,0]=2 9094 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,2,0,0,0,0|0,0,0]=2 9095 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,2,0,0,0,0|0,0,0]=2 9096 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,2,0,0,0,0|1,0,1]=4 9097 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,2,0,0,0,0|1,0,1]=4 9098 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,2,0,0,0,0|0,0,2]=4 9099 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,2,0,0,0,0|0,0,2]=4 9100 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [0,2,0,0,0,0|1,0,1]=4 9101 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [0,2,0,0,0,0|1,0,1]=4 9102 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,2,0,0,0,0|0,0,2]=4 9103 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,2,0,0,0,0|0,0,2]=4 9104 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,2,0,0,0,0|1,0,0]=3 9105 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,2,0,0,0,0|1,0,1]=4 9106 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,2,0,0,0,0|1,0,1]=4 9107 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,2,0,0,0,0|0,0,0]=2 9108 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,2,0,0,0,0|1,0,1]=4 9109 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,2,0,0,0,0|1,0,1]=4 9110 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,2,0,0,0,0|0,0,2]=4 9111 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,2,0,0,0,0|0,0,2]=4 9112 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,2,0,0,0,0|1,0,0]=3 9113 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,2,0,0,0,0|1,0,1]=4 9114 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,2,0,0,0,0|1,0,1]=4 9115 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,2,0,0,0,0|1,0,1]=4 9116 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|0,0,0]=2 9117 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|0,0,0]=2 9118 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|0,0,0]=2 9119 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,2,0,0,0,0|0,0,0]=2 9120 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,2,0,0,0,0|0,0,0]=2 9121 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,2,0,0,0,0|0,0,0]=2 9122 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,2,0,0,0,0|0,0,0]=2 9123 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,2,0,0,0,0|1,0,1]=4 9124 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,2,0,0,0,0|1,0,1]=4 9125 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,2,0,0,0,0|1,0,1]=4 9126 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,2,0,0,0,0|1,0,1]=4 9127 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,2,0,0,0,0|1,0,1]=4 9128 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,2,0,0,0,0|0,0,2]=4 9129 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,2,0,0,0,0|0,0,2]=4 9130 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [0,2,0,0,0,0|1,0,1]=4 9131 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,2,0,0,0,0|2,0,0]=4 9132 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,2,0,0,0,0|1,0,1]=4 9133 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,2,0,0,0,0|1,0,0]=3 9134 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,2,0,0,0,0|1,0,1]=4 9135 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,2,0,0,0,0|1,0,1]=4 9136 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,2,0,0,0,0|0,0,0]=2 9137 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,2,0,0,0,0|0,0,0]=2 9138 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,2,0,0,0,0|0,0,0]=2 9139 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,2,0,0,0,0|0,0,0]=2 9140 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,2,0,0,0,0|1,0,1]=4 9141 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,2,0,0,0,0|1,0,1]=4 9142 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,2,0,0,0,0|0,0,2]=4 9143 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,2,0,0,0,0|0,0,2]=4 9144 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,2,0,0,0,0|2,0,0]=4 9145 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,2,0,0,0,0|1,0,0]=3 9146 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,2,0,0,0,0|1,0,0]=3 9147 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,2,0,0,0,0|1,0,1]=4 9148 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,2,0,0,0,0|1,0,1]=4 9149 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,2,0,0,0,0|1,0,1]=4 9150 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,2,0,0,0,0|1,0,1]=4 9151 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,2,0,0,0,0|0,0,0]=2 9152 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,2,0,0,0,0|0,0,0]=2 9153 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,2,0,0,0,0|0,0,0]=2 9154 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,2,0,0,0,0|1,0,1]=4 9155 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,2,0,0,0,0|1,0,1]=4 9156 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,2,0,0,0,0|1,0,1]=4 9157 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,2,0,0,0,0|1,0,1]=4 9158 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,2,0,0,0,0|0,0,2]=4 9159 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,2,0,0,0,0|0,0,2]=4 9160 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,2,0,0,0,0|2,0,0]=4 9161 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,2,0,0,0,0|1,0,0]=3 9162 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,2,0,0,0,0|1,0,0]=3 9163 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,2,0,0,0,0|1,0,0]=3 9164 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,2,0,0,0,0|1,0,0]=3 9165 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,2,0,0,0,0|1,0,0]=3 9166 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,2,0,0,0,0|1,0,0]=3 9167 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,2,0,0,0,0|1,0,0]=3 9168 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,0,0,0,0|1,0,0]=3 9169 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,2,0,0,0,0|1,0,0]=3 9170 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,2,0,0,0,0|1,0,1]=4 9171 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,2,0,0,0,0|1,0,1]=4 9172 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,2,0,0,0,0|1,0,1]=4 9173 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,2,0,0,0,0|1,0,1]=4 9174 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,0,0,0,0|0,0,0]=2 9175 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,0,0,0,0|0,0,0]=2 9176 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,0,0,0,0|0,0,0]=2 9177 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,0,0,0,0|0,0,0]=2 9178 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,2,0,0,0,0|0,0,0]=2 9179 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,2,0,0,0,0|0,0,0]=2 9180 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,2,0,0,0,0|1,0,1]=4 9181 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,2,0,0,0,0|1,0,1]=4 9182 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,2,0,0,0,0|1,0,1]=4 9183 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,2,0,0,0,0|1,0,1]=4 9184 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,2,0,0,0,0|0,0,2]=4 9185 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,2,0,0,0,0|0,0,2]=4 9186 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,2,0,0,0,0|2,0,0]=4 9187 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,2,0,0,0,0|1,0,0]=3 9188 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,2,0,0,0,0|1,0,0]=3 9189 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,2,0,0,0,0|1,0,0]=3 9190 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,2,0,0,0,0|1,0,0]=3 9191 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,2,0,0,0,0|1,0,0]=3 9192 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,0,0,0,0|1,0,0]=3 9193 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,0,0,0,0|1,0,0]=3 9194 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,2,0,0,0,0|1,0,0]=3 9195 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,2,0,0,0,0|1,0,0]=3 9196 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,2,0,0,0,0|1,0,0]=3 9197 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,2,0,0,0,0|1,0,0]=3 9198 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,2,0,0,0,0|1,0,0]=3 9199 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,0,0,0,0|1,0,0]=3 9200 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,2,0,0,0,0|1,0,0]=3 9201 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,2,0,0,0,0|1,0,0]=3 9202 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,2,0,0,0,0|1,0,0]=3 9203 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,2,0,0,0,0|1,0,0]=3 9204 B10R0.4 CCCCOCSC[N+](=O)[O-] 62a_100011995733_100000761209 [0,2,0,0,0,0|2,0,0]=4 9205 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,2,0,0,0,0|1,0,1]=4 9206 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,2,0,0,0,0|1,0,1]=4 9207 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,2,0,0,0,0|1,0,1]=4 9208 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,2,0,0,0,0|1,0,1]=4 9209 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,2,0,0,0,0|0,0,0]=2 9210 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,2,0,0,0,0|0,0,0]=2 9211 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,2,0,0,0,0|0,0,0]=2 9212 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,2,0,0,0,0|0,0,0]=2 9213 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,2,0,0,0,0|1,0,1]=4 9214 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,2,0,0,0,0|1,0,1]=4 9215 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,2,0,0,0,0|0,0,2]=4 9216 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,2,0,0,0,0|0,0,2]=4 9217 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,2,0,0,0,0|2,0,0]=4 9218 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,2,0,0,0,0|1,0,0]=3 9219 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,2,0,0,0,0|1,0,0]=3 9220 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,2,0,0,0,0|1,0,0]=3 9221 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,2,0,0,0,0|1,0,0]=3 9222 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,2,0,0,0,0|1,0,0]=3 9223 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,2,0,0,0,0|1,0,0]=3 9224 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,2,0,0,0,0|1,0,0]=3 9225 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,2,0,0,0,0|1,0,0]=3 9226 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,0,0,0,0|1,0,0]=3 9227 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,0,0,0,0|1,0,0]=3 9228 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,2,0,0,0,0|1,0,0]=3 9229 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,2,0,0,0,0|1,0,0]=3 9230 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,2,0,0,0,0|0,0,0]=2 9231 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,2,0,0,0,0|1,0,0]=3 9232 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,2,0,0,0,0|1,0,0]=3 9233 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,2,0,0,0,0|1,0,1]=4 9234 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,2,0,0,0,0|0,0,0]=2 9235 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,2,0,0,0,0|0,0,0]=2 9236 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,2,0,0,0,0|0,0,0]=2 9237 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,2,0,0,0,0|1,0,1]=4 9238 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,2,0,0,0,0|1,0,1]=4 9239 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,2,0,0,0,0|1,0,1]=4 9240 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,2,0,0,0,0|1,0,0]=3 9241 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,2,0,0,0,0|1,0,0]=3 9242 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,2,0,0,0,0|1,0,0]=3 9243 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,2,0,0,0,0|1,0,0]=3 9244 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,2,0,0,0,0|1,0,0]=3 9245 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,2,0,0,0,0|1,0,0]=3 9246 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,2,0,0,0,0|1,0,0]=3 9247 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,2,0,0,0,0|1,1,0]=4 9248 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,2,0,0,0,0|1,0,0]=3 9249 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,2,0,0,0,0|1,0,0]=3 9250 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,2,0,0,0,0|1,0,0]=3 9251 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,2,0,0,0,0|1,0,0]=3 9252 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,2,0,0,0,0|1,0,0]=3 9253 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,2,0,0,0,0|1,0,0]=3 9254 B10R0.4 CCCOCCNC[N+](=O)[O-] 34a_100161115042_100000761209 [0,2,0,0,0,0|2,0,0]=4 9255 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,2,0,0,0,0|1,0,0]=3 9256 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,2,0,0,0,0|1,0,0]=3 9257 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,2,0,0,0,0|1,0,0]=3 9258 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,2,0,0,0,0|1,0,0]=3 9259 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,2,0,0,0,0|1,0,0]=3 9260 B10R0.4 CCCOCCOC[N+](=O)[O-] 34a_100000752267_100000761209 [0,2,0,0,0,0|2,0,0]=4 9261 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,2,0,0,0,0|1,0,0]=3 9262 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,2,0,0,0,0|1,0,0]=3 9263 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,2,0,0,0,0|1,0,0]=3 9264 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,2,0,0,0,0|1,0,0]=3 9265 B10R0.4 CCCOCCSC[N+](=O)[O-] 62a_100011215938_100000761209 [0,2,0,0,0,0|2,0,0]=4 9266 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,2,0,0,0,0|1,0,1]=4 9267 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,2,0,0,0,0|1,0,1]=4 9268 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,2,0,0,0,0|0,0,0]=2 9269 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,2,0,0,0,0|0,0,0]=2 9270 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,2,0,0,0,0|1,0,1]=4 9271 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,2,0,0,0,0|1,0,1]=4 9272 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,2,0,0,0,0|2,0,0]=4 9273 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,2,0,0,0,0|1,0,0]=3 9274 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,2,0,0,0,0|1,0,0]=3 9275 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,2,0,0,0,0|1,1,0]=4 9276 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,2,0,0,0,0|1,1,0]=4 9277 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,2,0,0,0,0|1,0,0]=3 9278 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,2,0,0,0,0|1,0,0]=3 9279 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,2,0,0,0,0|1,0,0]=3 9280 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,2,0,0,0,0|1,0,0]=3 9281 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,2,0,0,0,0|1,0,0]=3 9282 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,2,0,0,0,0|1,0,0]=3 9283 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,2,0,0,0,0|1,0,0]=3 9284 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,2,0,0,0,0|1,0,0]=3 9285 B10R0.4 CCCSCCOC[N+](=O)[O-] 34a_200000230433_100000761209 [0,2,0,0,0,0|2,0,0]=4 9286 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,2,0,0,0,0|1,0,1]=4 9287 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,2,0,0,0,0|0,0,0]=2 9288 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,2,0,0,0,0|1,0,1]=4 9289 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,2,0,0,0,0|1,0,1]=4 9290 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,2,0,0,0,0|1,0,1]=4 9291 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,2,0,0,0,0|1,0,0]=3 9292 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,2,0,0,0,0|1,0,0]=3 9293 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,2,0,0,0,0|1,0,0]=3 9294 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,2,0,0,0,0|1,0,1]=4 9295 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,2,0,0,0,0|0,0,0]=2 9296 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,2,0,0,0,0|0,0,0]=2 9297 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,2,0,0,0,0|0,0,0]=2 9298 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,2,0,0,0,0|0,0,0]=2 9299 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,2,0,0,0,0|1,0,1]=4 9300 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,2,0,0,0,0|1,0,1]=4 9301 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,2,0,0,0,0|1,0,1]=4 9302 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,2,0,0,0,0|1,0,0]=3 9303 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,2,0,0,0,0|1,0,0]=3 9304 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,2,0,0,0,0|1,0,0]=3 9305 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [0,2,0,0,0,0|2,0,0]=4 9306 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,2,0,0,0,0|1,0,0]=3 9307 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,2,0,0,0,0|1,0,0]=3 9308 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,2,0,0,0,0|1,0,0]=3 9309 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,2,0,0,0,0|1,0,0]=3 9310 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,2,0,0,0,0|1,0,0]=3 9311 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,2,0,0,0,0|1,0,0]=3 9312 B10R0.4 CCOCCCNC[N+](=O)[O-] 34a_100000210961_100000761209 [0,2,0,0,0,0|2,0,0]=4 9313 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,2,0,0,0,0|1,0,0]=3 9314 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,2,0,0,0,0|1,0,0]=3 9315 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,2,0,0,0,0|1,0,0]=3 9316 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,2,0,0,0,0|1,0,0]=3 9317 B10R0.4 CCOCCCOC[N+](=O)[O-] 34a_100000757476_100000761209 [0,2,0,0,0,0|2,0,0]=4 9318 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,2,0,0,0,0|1,0,0]=3 9319 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,2,0,0,0,0|1,0,0]=3 9320 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,2,0,0,0,0|1,0,0]=3 9321 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,2,0,0,0,0|1,0,0]=3 9322 B10R0.4 CCOCCCSC[N+](=O)[O-] 62a_100012232248_100000761209 [0,2,0,0,0,0|2,0,0]=4 9323 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,2,0,0,0,0|1,0,0]=3 9324 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,2,0,0,0,0|1,0,0]=3 9325 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,2,0,0,0,0|2,0,0]=4 9326 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,2,0,0,0,0|2,0,0]=4 9327 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,2,0,0,0,0|1,0,0]=3 9328 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,2,0,0,0,0|1,0,0]=3 9329 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,2,0,0,0,0|1,0,0]=3 9330 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,2,0,0,0,0|1,0,0]=3 9331 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,2,0,0,0,0|1,0,0]=3 9332 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,2,0,0,0,0|1,0,0]=3 9333 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,2,0,0,0,0|1,0,0]=3 9334 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,2,0,0,0,0|1,0,0]=3 9335 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,2,0,0,0,0|2,0,0]=4 9336 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,2,0,0,0,0|1,0,0]=3 9337 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,2,0,0,0,0|1,0,0]=3 9338 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,2,0,0,0,0|1,0,0]=3 9339 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,2,0,0,0,0|1,0,0]=3 9340 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,2,0,0,0,0|2,0,0]=4 9341 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,2,0,0,0,0|2,0,0]=4 9342 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,2,0,0,0,0|2,0,0]=4 9343 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,2,0,0,0,0|1,0,0]=3 9344 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,2,0,0,0,0|1,0,0]=3 9345 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,2,0,0,0,0|1,0,0]=3 9346 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,2,0,0,0,0|1,0,0]=3 9347 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,2,0,0,0,0|2,0,0]=4 9348 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,2,0,0,0,0|2,0,0]=4 9349 B10R0.4 CCOCSCCNC(=O)N 62a_100000739092_200000034859 [0,2,0,0,0,0|2,0,0]=4 9350 B10R0.4 CCOCSCCNC(=O)N 62a_200000034859_100000739092 [0,2,0,0,0,0|2,0,0]=4 9351 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,2,0,0,0,0|2,0,0]=4 9352 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,2,0,0,0,0|2,0,0]=4 9353 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,2,0,0,0,0|2,0,0]=4 9354 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,2,0,0,0,0|2,0,0]=4 9355 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,2,0,0,0,0|1,0,1]=4 9356 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,2,0,0,0,0|1,0,1]=4 9357 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,2,0,0,0,0|0,0,0]=2 9358 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,2,0,0,0,0|0,0,0]=2 9359 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,2,0,0,0,0|1,0,1]=4 9360 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,2,0,0,0,0|1,0,1]=4 9361 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,2,0,0,0,0|1,0,0]=3 9362 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,2,0,0,0,0|1,0,0]=3 9363 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,2,0,0,0,0|2,0,0]=4 9364 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,2,0,0,0,0|1,0,0]=3 9365 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,2,0,0,0,0|1,0,0]=3 9366 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,2,0,0,0,0|1,0,0]=3 9367 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,2,0,0,0,0|1,0,0]=3 9368 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,2,0,0,0,0|1,0,0]=3 9369 B10R0.4 CCSCCCOC[N+](=O)[O-] 34a_100011216438_100000761209 [0,2,0,0,0,0|2,0,0]=4 9370 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,2,0,0,0,0|1,0,0]=3 9371 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,2,0,0,0,0|2,0,0]=4 9372 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,2,0,0,0,0|1,0,0]=3 9373 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,2,0,0,0,0|1,0,0]=3 9374 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,2,0,0,0,0|1,0,0]=3 9375 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,2,0,0,0,0|1,0,0]=3 9376 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,2,0,0,0,0|1,0,0]=3 9377 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,2,0,0,0,0|1,0,0]=3 9378 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,2,0,0,0,0|1,0,0]=3 9379 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,2,0,0,0,0|2,0,0]=4 9380 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,2,0,0,0,0|1,0,0]=3 9381 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,2,0,0,0,0|1,0,0]=3 9382 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,2,0,0,0,0|1,0,0]=3 9383 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,2,0,0,0,0|1,0,0]=3 9384 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,2,0,0,0,0|2,0,0]=4 9385 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,2,0,0,0,0|2,0,0]=4 9386 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,2,0,0,0,0|2,0,0]=4 9387 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,2,0,0,0,0|2,0,0]=4 9388 B10R0.4 CN(C)CCCCCCC#N 2230a_100102631434_100009813337 [0,2,0,0,0,0|1,0,1]=4 9389 B10R0.4 CN(C)CCCCCCC#N 269982a_100102631434_100009813337 [0,2,0,0,0,0|1,0,1]=4 9390 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,2,0,0,0,0|0,0,2]=4 9391 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,2,0,0,0,0|0,0,2]=4 9392 B10R0.4 CN(C)CCCCSCC=O 62a_200015260668_100000690147 [0,2,0,0,0,0|1,0,0]=3 9393 B10R0.4 CN(C)CCSCCCC=O 62a_200011292268_100000755713 [0,2,0,0,0,0|1,0,0]=3 9394 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,2,0,0,0,0|1,0,1]=4 9395 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,2,0,0,0,0|1,0,1]=4 9396 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,2,0,0,0,0|1,0,1]=4 9397 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,2,0,0,0,0|1,0,1]=4 9398 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,2,0,0,0,0|1,0,1]=4 9399 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,2,0,0,0,0|1,0,0]=3 9400 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,2,0,0,0,0|1,0,0]=3 9401 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,0,0,0,0|1,0,0]=3 9402 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,0,0,0,0|1,0,0]=3 9403 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,0,0,0,0|1,0,0]=3 9404 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 9405 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,2,0,0,0,0|1,0,0]=3 9406 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [0,2,0,0,0,0|2,0,0]=4 9407 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,2,0,0,0,0|2,0,0]=4 9408 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,2,0,0,0,0|2,0,0]=4 9409 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,2,0,0,0,0|2,0,0]=4 9410 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,2,0,0,0,0|2,0,0]=4 9411 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,2,0,0,0,0|2,0,0]=4 9412 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,2,0,0,0,0|1,0,1]=4 9413 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,0,0,0,0|0,0,0]=2 9414 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,2,0,0,0,0|2,0,0]=4 9415 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,2,0,0,0,0|2,0,0]=4 9416 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,0,0,0,0|1,0,0]=3 9417 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,0,0,0,0|1,0,0]=3 9418 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,0,0,0,0|1,0,0]=3 9419 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,0,0,0,0|1,0,0]=3 9420 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,2,0,0,0,0|2,0,0]=4 9421 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,2,0,0,0,0|2,0,0]=4 9422 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 9423 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|1,0,0]=3 9424 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,2,0,0,0,0|1,0,0]=3 9425 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,2,0,0,0,0|1,0,0]=3 9426 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [0,2,0,0,0,0|2,0,0]=4 9427 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [0,2,0,0,0,0|2,0,0]=4 9428 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,2,0,0,0,0|2,0,0]=4 9429 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,2,0,0,0,0|2,0,0]=4 9430 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|1,0,0]=3 9431 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,2,0,0,0,0|1,0,0]=3 9432 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,2,0,0,0,0|1,0,0]=3 9433 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [0,2,0,0,0,0|2,0,0]=4 9434 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [0,2,0,0,0,0|2,0,0]=4 9435 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [0,2,0,0,0,0|2,0,0]=4 9436 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [0,2,0,0,0,0|2,0,0]=4 9437 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,2,0,0,0,0|2,0,0]=4 9438 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [0,2,0,0,0,0|2,0,0]=4 9439 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [0,2,0,0,0,0|2,0,0]=4 9440 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,2,0,0,0,0|2,0,0]=4 9441 B10R0.4 COCCCCOC[N+](=O)[O-] 34a_100000740925_100000761209 [0,2,0,0,0,0|2,0,0]=4 9442 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,2,0,0,0,0|1,0,0]=3 9443 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,2,0,0,0,0|1,0,0]=3 9444 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,2,0,0,0,0|1,0,0]=3 9445 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,2,0,0,0,0|1,0,0]=3 9446 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [0,2,0,0,0,0|2,0,0]=4 9447 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [0,2,0,0,0,0|2,0,0]=4 9448 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,2,0,0,0,0|2,0,0]=4 9449 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,2,0,0,0,0|2,0,0]=4 9450 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,2,0,0,0,0|2,0,0]=4 9451 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,2,0,0,0,0|2,0,0]=4 9452 B10R0.4 COCCCCSC[N+](=O)[O-] 62a_100000730899_100000761209 [0,2,0,0,0,0|2,0,0]=4 9453 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,2,0,0,0,0|1,0,0]=3 9454 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [0,2,0,0,0,0|2,0,0]=4 9455 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [0,2,0,0,0,0|2,0,0]=4 9456 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,2,0,0,0,0|2,0,0]=4 9457 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,2,0,0,0,0|2,0,0]=4 9458 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,2,0,0,0,0|2,0,0]=4 9459 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,2,0,0,0,0|2,0,0]=4 9460 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|1,0,0]=3 9461 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|1,0,0]=3 9462 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,2,0,0,0,0|1,0,0]=3 9463 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,2,0,0,0,0|1,0,0]=3 9464 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,2,0,0,0,0|1,0,0]=3 9465 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [0,2,0,0,0,0|2,0,0]=4 9466 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [0,2,0,0,0,0|2,0,0]=4 9467 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [0,2,0,0,0,0|2,0,0]=4 9468 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [0,2,0,0,0,0|2,0,0]=4 9469 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,2,0,0,0,0|2,0,0]=4 9470 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [0,2,0,0,0,0|2,0,0]=4 9471 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,2,0,0,0,0|2,0,0]=4 9472 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,2,0,0,0,0|1,0,0]=3 9473 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,2,0,0,0,0|1,0,0]=3 9474 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,2,0,0,0,0|1,0,0]=3 9475 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,2,0,0,0,0|1,0,0]=3 9476 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [0,2,0,0,0,0|2,0,0]=4 9477 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [0,2,0,0,0,0|2,0,0]=4 9478 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,2,0,0,0,0|2,0,0]=4 9479 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,2,0,0,0,0|2,0,0]=4 9480 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,2,0,0,0,0|2,0,0]=4 9481 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,2,0,0,0,0|2,0,0]=4 9482 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,2,0,0,0,0|1,0,0]=3 9483 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [0,2,0,0,0,0|2,0,0]=4 9484 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [0,2,0,0,0,0|2,0,0]=4 9485 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [0,2,0,0,0,0|2,0,0]=4 9486 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,2,0,0,0,0|2,0,0]=4 9487 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,2,0,0,0,0|2,0,0]=4 9488 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,2,0,0,0,0|2,0,0]=4 9489 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,2,0,0,0,0|2,0,0]=4 9490 B10R0.4 COCCNCCNC(=O)N 2230a_100000209980_200000034859 [0,2,0,0,0,0|2,0,0]=4 9491 B10R0.4 COCCNCCNC(=O)N 34a_100020590234_100011201679 [0,2,0,0,0,0|2,0,0]=4 9492 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,2,0,0,0,0|1,0,0]=3 9493 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,2,0,0,0,0|1,0,0]=3 9494 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,2,0,0,0,0|1,0,0]=3 9495 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,2,0,0,0,0|1,0,0]=3 9496 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,2,0,0,0,0|1,0,0]=3 9497 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [0,2,0,0,0,0|2,0,0]=4 9498 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [0,2,0,0,0,0|2,0,0]=4 9499 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [0,2,0,0,0,0|2,0,0]=4 9500 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,2,0,0,0,0|2,0,0]=4 9501 B10R0.4 COCCOCCC[N+](=O)[O-] 34a_200000037920_100011201679 [0,2,0,0,0,0|2,0,0]=4 9502 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,2,0,0,0,0|2,0,0]=4 9503 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,2,0,0,0,0|2,0,0]=4 9504 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,2,0,0,0,0|2,0,0]=4 9505 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,2,0,0,0,0|2,0,0]=4 9506 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,2,0,0,0,0|2,0,0]=4 9507 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,2,0,0,0,0|2,0,0]=4 9508 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,2,0,0,0,0|2,0,0]=4 9509 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,2,0,0,0,0|2,0,0]=4 9510 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,2,0,0,0,0|2,0,0]=4 9511 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,2,0,0,0,0|2,0,0]=4 9512 B10R0.4 COCCOCNCC(=O)N 2230a_100000711301_100000231047 [0,2,0,0,0,0|2,0,0]=4 9513 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,2,0,0,0,0|2,0,0]=4 9514 B10R0.4 COCCOCSCC(=O)N 62a_100000231047_100000747473 [0,2,0,0,0,0|2,0,0]=4 9515 B10R0.4 COCCOCSCC(=O)N 62a_100000747473_100000231047 [0,2,0,0,0,0|2,0,0]=4 9516 B10R0.4 COCCOCSCC(=O)[O-] 62a_100000231047_100020667443 [0,2,0,0,0,0|2,0,0]=4 9517 B10R0.4 COCCOCSCC(=O)[O-] 62a_100020667443_100000231047 [0,2,0,0,0,0|2,0,0]=4 9518 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,2,0,0,0,0|1,0,0]=3 9519 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,2,0,0,0,0|1,0,0]=3 9520 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,2,0,0,0,0|1,0,0]=3 9521 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,2,0,0,0,0|1,0,0]=3 9522 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [0,2,0,0,0,0|2,0,0]=4 9523 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [0,2,0,0,0,0|2,0,0]=4 9524 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,2,0,0,0,0|2,0,0]=4 9525 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,2,0,0,0,0|2,0,0]=4 9526 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,2,0,0,0,0|2,0,0]=4 9527 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,2,0,0,0,0|2,0,0]=4 9528 B10R0.4 COCCSCCNC(=O)N 62a_100000233755_200000034859 [0,2,0,0,0,0|2,0,0]=4 9529 B10R0.4 COCCSCCNC(=O)N 62a_200000034859_100000233755 [0,2,0,0,0,0|2,0,0]=4 9530 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,2,0,0,0,0|2,0,0]=4 9531 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,2,0,0,0,0|2,0,0]=4 9532 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,2,0,0,0,0|2,0,0]=4 9533 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,2,0,0,0,0|2,0,0]=4 9534 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,2,0,0,0,0|2,0,0]=4 9535 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,2,0,0,0,0|1,0,0]=3 9536 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,2,0,0,0,0|1,0,0]=3 9537 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [0,2,0,0,0,0|2,0,0]=4 9538 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [0,2,0,0,0,0|2,0,0]=4 9539 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,2,0,0,0,0|2,0,0]=4 9540 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,2,0,0,0,0|2,0,0]=4 9541 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,2,0,0,0,0|2,0,0]=4 9542 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,2,0,0,0,0|2,0,0]=4 9543 B10R0.4 COCSCCOCC(=O)N 62a_100000076697_100000766300 [0,2,0,0,0,0|2,0,0]=4 9544 B10R0.4 COCSCCOCC(=O)N 62a_100000766300_100000076697 [0,2,0,0,0,0|2,0,0]=4 9545 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,2,0,0,0,0|2,0,0]=4 9546 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,2,0,0,0,0|2,0,0]=4 9547 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,2,0,0,0,0|1,0,1]=4 9548 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,2,0,0,0,0|1,0,1]=4 9549 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,0,0,0,0|1,0,0]=3 9550 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,0,0,0,0|1,0,0]=3 9551 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,2,0,0,0,0|1,0,0]=3 9552 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,2,0,0,0,0|1,0,0]=3 9553 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,2,0,0,0,0|1,0,0]=3 9554 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [0,2,0,0,0,0|2,0,0]=4 9555 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [0,2,0,0,0,0|2,0,0]=4 9556 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,2,0,0,0,0|2,0,0]=4 9557 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,2,0,0,0,0|2,0,0]=4 9558 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,2,0,0,0,0|2,0,0]=4 9559 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,2,0,0,0,0|2,0,0]=4 9560 B10R0.4 CSCCCCOC[N+](=O)[O-] 34a_100011217163_100000761209 [0,2,0,0,0,0|2,0,0]=4 9561 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,2,0,0,0,0|1,0,0]=3 9562 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [0,2,0,0,0,0|2,0,0]=4 9563 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [0,2,0,0,0,0|2,0,0]=4 9564 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,2,0,0,0,0|2,0,0]=4 9565 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,2,0,0,0,0|1,0,0]=3 9566 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,2,0,0,0,0|1,0,0]=3 9567 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,2,0,0,0,0|1,0,0]=3 9568 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [0,2,0,0,0,0|2,0,0]=4 9569 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [0,2,0,0,0,0|2,0,0]=4 9570 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,2,0,0,0,0|2,0,0]=4 9571 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,2,0,0,0,0|2,0,0]=4 9572 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,2,0,0,0,0|2,0,0]=4 9573 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,2,0,0,0,0|1,0,0]=3 9574 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [0,2,0,0,0,0|2,0,0]=4 9575 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [0,2,0,0,0,0|2,0,0]=4 9576 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [0,2,0,0,0,0|2,0,0]=4 9577 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,2,0,0,0,0|2,0,0]=4 9578 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,2,0,0,0,0|2,0,0]=4 9579 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,2,0,0,0,0|2,0,0]=4 9580 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,2,0,0,0,0|2,0,0]=4 9581 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [0,2,0,0,0,0|2,0,0]=4 9582 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [0,2,0,0,0,0|2,0,0]=4 9583 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,2,0,0,0,0|1,0,0]=3 9584 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,2,0,0,0,0|1,0,0]=3 9585 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,2,0,0,0,0|1,0,0]=3 9586 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,2,0,0,0,0|1,0,0]=3 9587 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,2,0,0,0,0|1,0,0]=3 9588 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,2,0,0,0,0|1,0,0]=3 9589 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [0,2,0,0,0,0|2,0,0]=4 9590 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [0,2,0,0,0,0|2,0,0]=4 9591 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [0,2,0,0,0,0|2,0,0]=4 9592 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [0,2,0,0,0,0|2,0,0]=4 9593 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,2,0,0,0,0|2,0,0]=4 9594 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,2,0,0,0,0|2,0,0]=4 9595 B10R0.4 CSCCOCCC[N+](=O)[O-] 34a_200000037920_100000212216 [0,2,0,0,0,0|2,0,0]=4 9596 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,2,0,0,0,0|2,0,0]=4 9597 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,2,0,0,0,0|2,0,0]=4 9598 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,2,0,0,0,0|2,0,0]=4 9599 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,2,0,0,0,0|2,0,0]=4 9600 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,2,0,0,0,0|2,0,0]=4 9601 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,2,0,0,0,0|2,0,0]=4 9602 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,2,0,0,0,0|2,0,0]=4 9603 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,2,0,0,0,0|2,0,0]=4 9604 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,2,0,0,0,0|2,0,0]=4 9605 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,2,0,0,0,0|2,0,0]=4 9606 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,2,0,0,0,0|2,0,0]=4 9607 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,2,0,0,0,0|1,0,0]=3 9608 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,2,0,0,0,0|1,0,0]=3 9609 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,2,0,0,0,0|1,0,0]=3 9610 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,2,0,0,0,0|1,0,0]=3 9611 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [0,2,0,0,0,0|2,0,0]=4 9612 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [0,2,0,0,0,0|2,0,0]=4 9613 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,2,0,0,0,0|2,0,0]=4 9614 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,2,0,0,0,0|2,0,0]=4 9615 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,2,0,0,0,0|2,0,0]=4 9616 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,2,0,0,0,0|2,0,0]=4 9617 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [0,2,0,0,0,0|2,0,0]=4 9618 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [0,2,0,0,0,0|2,0,0]=4 9619 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,2,0,0,0,0|2,0,0]=4 9620 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,2,0,0,0,0|2,0,0]=4 9621 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,2,0,0,0,0|2,0,0]=4 9622 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,2,0,0,0,0|2,0,0]=4 9623 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,2,0,0,0,0|1,0,0]=3 9624 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,2,0,0,0,0|2,0,0]=4 9625 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,2,0,0,0,0|2,0,0]=4 9626 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,2,0,0,0,0|1,0,0]=3 9627 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [0,2,0,0,0,0|2,0,0]=4 9628 B10R0.4 CSCOCCCC[N+](=O)[O-] 34a_200015379883_100011218213 [0,2,0,0,0,0|2,0,0]=4 9629 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,2,0,0,0,0|2,0,0]=4 9630 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,2,0,0,0,0|1,0,0]=3 9631 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,2,0,0,0,0|1,0,0]=3 9632 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [0,2,0,0,0,0|2,0,0]=4 9633 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [0,2,0,0,0,0|2,0,0]=4 9634 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,2,0,0,0,0|2,0,0]=4 9635 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,2,0,0,0,0|2,0,0]=4 9636 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,2,0,0,0,0|2,0,0]=4 9637 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,2,0,0,0,0|2,0,0]=4 9638 B10R0.4 CSCSCCOCC(=O)N 62a_100000076697_100011218213 [0,2,0,0,0,0|2,0,0]=4 9639 B10R0.4 CSCSCCOCC(=O)N 62a_100011218213_100000076697 [0,2,0,0,0,0|2,0,0]=4 9640 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,2,0,0,0,0|1,0,1]=4 9641 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,2,0,0,0,0|0,0,2]=4 9642 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [0,2,0,0,0,0|1,0,1]=4 9643 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,2,0,0,0,0|0,0,2]=4 9644 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,2,0,0,0,0|1,0,1]=4 9645 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,2,0,0,0,0|0,0,2]=4 9646 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,2,0,0,0,0|0,0,2]=4 9647 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,2,0,0,0,0|0,0,2]=4 9648 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,2,0,0,0,0|1,0,1]=4 9649 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,2,0,0,0,0|1,0,1]=4 9650 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,2,0,0,0,0|1,0,1]=4 9651 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,2,0,0,0,0|1,0,1]=4 9652 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,2,0,0,0,0|1,0,1]=4 9653 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,2,0,0,0,0|1,0,1]=4 9654 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,2,0,0,0,0|1,0,1]=4 9655 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100009817552_100000211819 [0,2,0,0,0,0|1,0,1]=4 9656 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100011219923_100009817552 [0,2,0,0,0,0|1,0,1]=4 9657 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,2,0,0,0,0|0,0,0]=2 9658 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,2,0,0,0,0|0,0,0]=2 9659 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,2,0,0,0,0|1,0,1]=4 9660 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,2,0,0,0,0|1,0,1]=4 9661 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,2,0,0,0,0|0,0,2]=4 9662 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,2,0,0,0,0|0,0,2]=4 9663 B10R0.4 N#CCCCCNCC(=O)N 2230a_100000711301_100000211819 [0,2,0,0,0,0|1,0,1]=4 9664 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,2,0,0,0,0|1,0,1]=4 9665 B10R0.4 N#CCCCCSCC(=O)N 62a_100000747473_100000211819 [0,2,0,0,0,0|1,0,1]=4 9666 B10R0.4 N#CCCCCSCC(=O)N 62a_100011219923_100000747473 [0,2,0,0,0,0|1,0,1]=4 9667 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100011219923_100020667443 [0,2,0,0,0,0|1,0,1]=4 9668 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100020667443_100000211819 [0,2,0,0,0,0|1,0,1]=4 9669 B10R0.4 N#CCCCOCCC(=O)N 7a_100000757172_100000687738 [0,2,0,0,0,0|1,0,1]=4 9670 B10R0.4 N#CCCCSCCC(=O)N 62a_100000687738_100000744528 [0,2,0,0,0,0|1,0,1]=4 9671 B10R0.4 N#CCCCSCCC(=O)N 62a_100000744528_100000687738 [0,2,0,0,0,0|1,0,1]=4 9672 B10R0.4 N#CCCSCCCC(=O)N 62a_100011215226_100102525003 [0,2,0,0,0,0|1,0,1]=4 9673 B10R0.4 N#CCCSCCCC(=O)N 62a_100102525003_100011215226 [0,2,0,0,0,0|1,0,1]=4 9674 B10R0.4 N#CCOCCCCC(=O)N 7a_100012022536_100011215382 [0,2,0,0,0,0|1,0,1]=4 9675 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,2,0,0,0,0|1,0,0]=3 9676 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,2,0,0,0,0|1,0,0]=3 9677 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,2,0,0,0,0|1,0,0]=3 9678 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,2,0,0,0,0|1,0,0]=3 9679 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [0,2,0,0,0,0|1,0,1]=4 9680 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,2,0,0,0,0|1,0,0]=3 9681 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,2,0,0,0,0|1,0,0]=3 9682 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [0,2,0,0,0,0|1,0,1]=4 9683 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [0,2,0,0,0,0|1,0,1]=4 9684 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,2,0,0,0,0|1,0,0]=3 9685 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,2,0,0,0,0|1,0,0]=3 9686 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,2,0,0,0,0|1,0,0]=3 9687 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,2,0,0,0,0|1,0,0]=3 9688 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,2,0,0,0,0|1,0,0]=3 9689 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,2,0,0,0,0|1,0,0]=3 9690 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,2,0,0,0,0|1,0,0]=3 9691 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,2,0,0,0,0|1,0,0]=3 9692 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,2,0,0,0,0|1,0,0]=3 9693 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,2,0,0,0,0|1,0,0]=3 9694 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,2,0,0,0,0|1,0,0]=3 9695 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,2,0,0,0,0|1,0,0]=3 9696 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,2,0,0,0,0|1,0,0]=3 9697 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,2,0,0,0,0|1,0,0]=3 9698 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,2,0,0,0,0|1,0,0]=3 9699 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,2,0,0,0,0|1,0,0]=3 9700 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [0,2,0,0,0,0|1,0,1]=4 9701 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,2,0,0,0,0|1,0,0]=3 9702 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,2,0,0,0,0|1,0,0]=3 9703 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,2,0,0,0,0|1,0,0]=3 9704 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,2,0,0,0,0|1,0,0]=3 9705 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,2,0,0,0,0|1,0,0]=3 9706 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,2,0,0,0,0|1,0,0]=3 9707 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,2,0,0,0,0|1,0,0]=3 9708 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,2,0,0,0,0|1,0,0]=3 9709 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,2,0,0,0,0|1,0,0]=3 9710 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,2,0,0,0,0|1,0,0]=3 9711 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [0,2,0,0,0,0|1,0,1]=4 9712 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [0,2,0,0,0,0|1,0,1]=4 9713 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,2,0,0,0,0|1,0,0]=3 9714 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,2,0,0,0,0|1,0,0]=3 9715 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,2,0,0,0,0|1,0,0]=3 9716 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,2,0,0,0,0|1,0,0]=3 9717 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [0,2,0,0,0,0|1,0,1]=4 9718 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,2,0,0,0,0|1,0,0]=3 9719 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,2,0,0,0,0|1,0,0]=3 9720 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,2,0,0,0,0|1,0,0]=3 9721 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,2,0,0,0,0|1,0,0]=3 9722 B10R0.4 NC(=O)CNCCOCCO 2230a_100000211614_100000747473 [0,2,0,0,0,0|2,0,0]=4 9723 B10R0.4 NC(=O)CNCCOCCO 2230a_100000711301_100011215305 [0,2,0,0,0,0|2,0,0]=4 9724 B10R0.4 NC(=O)CNCCOCCO 34a_100000211614_100000187820 [0,2,0,0,0,0|2,0,0]=4 9725 B10R0.4 NC(=O)CNCCSCCO 2230a_100011219999_100000747473 [0,2,0,0,0,0|2,0,0]=4 9726 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,2,0,0,0,0|1,0,0]=3 9727 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,2,0,0,0,0|1,0,0]=3 9728 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,2,0,0,0,0|1,0,0]=3 9729 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,2,0,0,0,0|1,0,0]=3 9730 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,2,0,0,0,0|1,0,0]=3 9731 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,2,0,0,0,0|1,0,0]=3 9732 B10R0.4 NC(=O)COCCNCCF 34a_100000724931_100000076697 [0,2,0,0,0,0|2,0,0]=4 9733 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [0,2,0,0,0,0|2,0,0]=4 9734 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [0,2,0,0,0,0|2,0,0]=4 9735 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [0,2,0,0,0,0|2,0,0]=4 9736 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [0,2,0,0,0,0|2,0,0]=4 9737 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [0,2,0,0,0,0|2,0,0]=4 9738 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [0,2,0,0,0,0|2,0,0]=4 9739 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [0,2,0,0,0,0|2,0,0]=4 9740 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [0,2,0,0,0,0|2,0,0]=4 9741 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [0,2,0,0,0,0|2,0,0]=4 9742 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [0,2,0,0,0,0|2,0,0]=4 9743 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [0,2,0,0,0,0|2,0,0]=4 9744 B10R0.4 NC(=O)COCCSCCF 62a_100000076697_100011217306 [0,2,0,0,0,0|2,0,0]=4 9745 B10R0.4 NC(=O)COCCSCCF 62a_100011217306_100000076697 [0,2,0,0,0,0|2,0,0]=4 9746 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [0,2,0,0,0,0|2,0,0]=4 9747 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [0,2,0,0,0,0|2,0,0]=4 9748 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [0,2,0,0,0,0|1,0,1]=4 9749 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [0,2,0,0,0,0|1,0,1]=4 9750 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,2,0,0,0,0|1,0,0]=3 9751 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,2,0,0,0,0|1,0,0]=3 9752 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,2,0,0,0,0|1,0,0]=3 9753 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,2,0,0,0,0|1,0,0]=3 9754 B10R0.4 NC(=O)CSCCOCCO 62a_100000747473_100011215305 [0,2,0,0,0,0|2,0,0]=4 9755 B10R0.4 NC(=O)CSCCOCCO 62a_100011215305_100000747473 [0,2,0,0,0,0|2,0,0]=4 9756 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [0,2,0,0,0,0|2,0,0]=4 9757 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [0,2,0,0,0,0|2,0,0]=4 9758 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,2,0,0,0,0|2,0,0]=4 9759 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,2,0,0,0,0|2,0,0]=4 9760 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,2,0,0,0,0|2,0,0]=4 9761 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [0,2,0,0,0,0|2,0,0]=4 9762 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [0,2,0,0,0,0|2,0,0]=4 9763 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,2,0,0,0,0|2,0,0]=4 9764 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,2,0,0,0,0|2,0,0]=4 9765 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,2,0,0,0,0|2,0,0]=4 9766 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,2,0,0,0,0|2,0,0]=4 9767 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,2,0,0,0,0|2,0,0]=4 9768 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,2,0,0,0,0|2,0,0]=4 9769 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,2,0,0,0,0|2,0,0]=4 9770 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,2,0,0,0,0|2,0,0]=4 9771 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,2,0,0,0,0|2,0,0]=4 9772 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,2,0,0,0,0|2,0,0]=4 9773 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,2,0,0,0,0|2,0,0]=4 9774 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,2,0,0,0,0|2,0,0]=4 9775 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,2,0,0,0,0|1,0,0]=3 9776 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,2,0,0,0,0|1,0,0]=3 9777 B10R0.4 NCCCCCOC[N+](=O)[O-] 34a_100000762737_100000761209 [0,2,0,0,0,0|2,0,0]=4 9778 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,2,0,0,0,0|1,0,0]=3 9779 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,2,0,0,0,0|1,0,0]=3 9780 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,2,0,0,0,0|2,0,0]=4 9781 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [0,2,0,0,0,0|2,0,0]=4 9782 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [0,2,0,0,0,0|2,0,0]=4 9783 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,2,0,0,0,0|2,0,0]=4 9784 B10R0.4 NOCCOCCCC(=O)N 34a_100000700252_100102525003 [0,2,0,0,0,0|2,0,0]=4 9785 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,2,0,0,0,0|1,0,0]=3 9786 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,2,0,0,0,0|1,0,0]=3 9787 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,2,0,0,0,0|2,0,0]=4 9788 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,2,0,0,0,0|2,0,0]=4 9789 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,2,0,0,0,0|2,0,0]=4 9790 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,2,0,0,0,0|2,0,0]=4 9791 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,2,0,0,0,0|2,0,0]=4 9792 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,2,0,0,0,0|1,0,0]=3 9793 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,2,0,0,0,0|1,0,0]=3 9794 B10R0.4 O=C([O-])CNCCOCCO 34a_100000211614_100020667443 [0,2,0,0,0,0|2,0,0]=4 9795 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,2,0,0,0,0|1,0,0]=3 9796 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,2,0,0,0,0|1,0,0]=3 9797 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,2,0,0,0,0|1,0,0]=3 9798 B10R0.4 O=C([O-])COCCOCCBr 34a_100000692535_100020667443 [0,2,0,0,0,0|2,0,0]=4 9799 B10R0.4 O=C([O-])COCCOCCCl 34a_100011215305_100020667443 [0,2,0,0,0,0|2,0,0]=4 9800 B10R0.4 O=C([O-])COCCOCCF 34a_200015357709_100020667443 [0,2,0,0,0,0|2,0,0]=4 9801 B10R0.4 O=C([O-])COCCOCCI 34a_100012149058_100020667443 [0,2,0,0,0,0|2,0,0]=4 9802 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,2,0,0,0,0|1,0,0]=3 9803 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,2,0,0,0,0|1,0,0]=3 9804 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,2,0,0,0,0|1,0,0]=3 9805 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,2,0,0,0,0|1,0,0]=3 9806 B10R0.4 O=C([O-])CSCCOCCO 62a_100011215305_100020667443 [0,2,0,0,0,0|2,0,0]=4 9807 B10R0.4 O=C([O-])CSCCOCCO 62a_100020667443_100011215305 [0,2,0,0,0,0|2,0,0]=4 9808 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,2,0,0,0,0|1,0,1]=4 9809 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [0,2,0,0,0,0|1,0,1]=4 9810 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [0,2,0,0,0,0|1,0,1]=4 9811 B10R0.4 O=CCCCCSCC(F)F 62a_100000139335_100011934356 [0,2,0,0,0,0|1,0,0]=3 9812 B10R0.4 O=CCCCCSCC(F)F 62a_100011934356_100000139335 [0,2,0,0,0,0|1,0,0]=3 9813 B10R0.4 O=CCCCCSC[N+](=O)[O-] 62a_100000139335_100000761209 [0,2,0,0,0,0|2,0,0]=4 9814 B10R0.4 O=CCOCCCC[N+](=O)[O-] 34a_200015379883_200009817547 [0,2,0,0,0,0|2,0,0]=4 9815 B10R0.4 O=CCOCCCC[N+](=O)[O-] 7a_200015379883_200015260668 [0,2,0,0,0,0|2,0,0]=4 9816 B10R0.4 O=CCOCCOCC(F)F 34a_100000704375_200009817547 [0,2,0,0,0,0|2,0,0]=4 9817 B10R0.4 O=CCOCCOCC(F)F 7a_100000704375_200015260668 [0,2,0,0,0,0|2,0,0]=4 9818 B10R0.4 O=CCSCCCCB(O)O 62a_200009817182_200015260668 [0,2,0,0,0,0|2,0,0]=4 9819 B10R0.4 O=CCSCCCCB(O)O 62a_200015260668_200009817182 [0,2,0,0,0,0|2,0,0]=4 9820 B10R0.4 O=CCSCCOCC(F)F 62a_200012177212_200015260668 [0,2,0,0,0,0|2,0,0]=4 9821 B10R0.4 O=CCSCCOCC(F)F 62a_200015260668_200012177212 [0,2,0,0,0,0|2,0,0]=4 9822 B10R0.4 O=[N+]([O-])CCCCOCCF 34a_200015379883_100011217306 [0,2,0,0,0,0|2,0,0]=4 9823 B10R0.4 O=[N+]([O-])CCCCOCCF 7a_200015379883_100011217306 [0,2,0,0,0,0|2,0,0]=4 9824 B10R0.4 O=[N+]([O-])CCCCOCCO 34a_200015379883_100000211926 [0,2,0,0,0,0|2,0,0]=4 9825 B10R0.4 O=[N+]([O-])CCCCOCCO 7a_200015379883_100000211926 [0,2,0,0,0,0|2,0,0]=4 9826 B10R0.4 O=[N+]([O-])CCCOCCCF 34a_200000037920_100011934791 [0,2,0,0,0,0|2,0,0]=4 9827 B10R0.4 O=[N+]([O-])CCCOCCCO 34a_200000037920_100000230001 [0,2,0,0,0,0|2,0,0]=4 9828 B10R0.4 O=[N+]([O-])CNCCCCCO 34a_100000762737_100000761209 [0,2,0,0,0,0|2,0,0]=4 9829 B10R0.4 O=[N+]([O-])COCCCCCBr 34a_100000746331_100000761209 [0,2,0,0,0,0|2,0,0]=4 9830 B10R0.4 O=[N+]([O-])COCCCCCCl 34a_100000746330_100000761209 [0,2,0,0,0,0|2,0,0]=4 9831 B10R0.4 O=[N+]([O-])COCCCCCI 34a_200012148887_100000761209 [0,2,0,0,0,0|2,0,0]=4 9832 B10R0.4 O=[N+]([O-])CSCCCCCF 62a_100000729378_100000761209 [0,2,0,0,0,0|2,0,0]=4 9833 B10R0.4 O=[N+]([O-])CSCCCCCO 62a_100000746330_100000761209 [0,2,0,0,0,0|2,0,0]=4 9834 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,0,0,0,0|0,0,0]=2 9835 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [0,2,0,0,0,0|2,0,0]=4 9836 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,2,0,0,0,0|2,0,0]=4 9837 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,2,0,0,0,0|1,0,1]=4 9838 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,2,0,0,0,0|1,0,1]=4 9839 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|1,0,1]=4 9840 B10R0.6 C=C(C)CN(C)CCCC=O 2230a_100000225649_200011292268 [0,2,0,0,0,0|1,0,1]=4 9841 B10R0.6 C=C(C)CN(C)CCCC=O 269982a_100000225649_200011292268 [0,2,0,0,0,0|1,0,1]=4 9842 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 9843 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,2,0,0,0,0|2,0,0]=4 9844 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 9845 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,2,0,0,0,0|2,0,0]=4 9846 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,2,0,0,0,0|1,0,1]=4 9847 B10R0.6 C=C(F)CN(C)CCCCC 2230a_100000223495_100009893438 [0,2,0,0,0,0|2,0,0]=4 9848 B10R0.6 C=C(F)CN(C)CCCCC 269982a_100000223495_100009893438 [0,2,0,0,0,0|2,0,0]=4 9849 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,2,0,0,0,0|1,0,1]=4 9850 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,2,0,0,0,0|1,0,1]=4 9851 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,2,0,0,0,0|1,0,1]=4 9852 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,2,0,0,0,0|1,0,1]=4 9853 B10R0.6 C=CCCCN(C)CC(C)C 2230a_100000747067_100011713584 [0,2,0,0,0,0|2,0,0]=4 9854 B10R0.6 C=CCCCN(C)CC(C)C 269982a_100000747067_100000757094 [0,2,0,0,0,0|2,0,0]=4 9855 B10R0.6 C=CCCCN(C)CC(C)O 2230a_100000227577_100011713584 [0,2,0,0,0,0|2,0,0]=4 9856 B10R0.6 C=CCCCN(C)CC(C)O 269982a_100000227577_100000757094 [0,2,0,0,0,0|2,0,0]=4 9857 B10R0.6 C=CCCNC(C)CC(C)C 2230a_100000692259_100000754431 [0,2,0,0,0,0|2,0,0]=4 9858 B10R0.6 C=CCCNC(C)CC(C)C 2230a_100015191253_100000731052 [0,2,0,0,0,0|2,0,0]=4 9859 B10R0.6 C=CCCOC(C)CC(C)C 34a_100000211805_100000754431 [0,2,0,0,0,0|2,0,0]=4 9860 B10R0.6 C=CCCOC(C)CC(C)C 34a_100011205117_100000731052 [0,2,0,0,0,0|2,0,0]=4 9861 B10R0.6 C=CCCOC(C)CC(C)C 7a_100000211805_100000754431 [0,2,0,0,0,0|2,0,0]=4 9862 B10R0.6 C=CCCSC(C)CC(C)C 62a_100000731052_100000754431 [0,2,0,0,0,0|2,0,0]=4 9863 B10R0.6 C=CCCSC(C)CC(C)C 62a_100000754431_100000731052 [0,2,0,0,0,0|2,0,0]=4 9864 B10R0.6 C=CCOC[C@@H](N)CC(C)C 34a_100011830311_100015514636 [0,2,0,0,0,0|2,0,0]=4 9865 B10R0.6 CC(C)CN(C)CCCC=O 2230a_100000747067_200011292268 [0,2,0,0,0,0|1,0,0]=3 9866 B10R0.6 CC(C)CN(C)CCCC=O 269982a_100000747067_200011292268 [0,2,0,0,0,0|1,0,0]=3 9867 B10R0.6 CC(C)C[C@H](N)COCC=O 34a_100011830311_200009817547 [0,2,0,0,0,0|1,0,0]=3 9868 B10R0.6 CC(CSCC=O)CN(C)C 62a_100015348159_200015260668 [0,2,0,0,0,0|2,0,0]=4 9869 B10R0.6 CC(CSCC=O)CN(C)C 62a_200015260668_100015348159 [0,2,0,0,0,0|2,0,0]=4 9870 B10R0.6 CC(O)CN(C)CCCC=O 2230a_100000227577_200011292268 [0,2,0,0,0,0|1,0,0]=3 9871 B10R0.6 CC(O)CN(C)CCCC=O 269982a_100000227577_200011292268 [0,2,0,0,0,0|1,0,0]=3 9872 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|0,0,1]=3 9873 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|0,0,1]=3 9874 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|0,0,1]=3 9875 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|0,0,1]=3 9876 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,2,0,0,0,0|1,0,1]=4 9877 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,0,0,0,0|1,0,0]=3 9878 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,0,0,0,0|1,0,0]=3 9879 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,0,0,0,0|1,0,0]=3 9880 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,0,0,0,0|1,0,0]=3 9881 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,2,0,0,0,0|1,0,0]=3 9882 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,2,0,0,0,0|1,0,0]=3 9883 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,2,0,0,0,0|1,0,0]=3 9884 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,2,0,0,0,0|1,0,0]=3 9885 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,2,0,0,0,0|1,0,0]=3 9886 B10R0.6 CCCCCN(C)C[N+](=O)[O-] 269982a_100000223495_100000761209 [0,2,0,0,0,0|2,0,0]=4 9887 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,2,0,0,0,0|1,0,1]=4 9888 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 9889 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 9890 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|1,0,1]=4 9891 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,2,0,0,0,0|2,0,0]=4 9892 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,2,0,0,0,0|2,0,0]=4 9893 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,2,0,0,0,0|1,0,0]=3 9894 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,2,0,0,0,0|1,0,1]=4 9895 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,2,0,0,0,0|1,0,1]=4 9896 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,2,0,0,0,0|1,0,1]=4 9897 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,2,0,0,0,0|1,0,1]=4 9898 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,2,0,0,0,0|1,0,1]=4 9899 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,2,0,0,0,0|1,0,1]=4 9900 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,2,0,0,0,0|1,0,1]=4 9901 B10R0.6 CCOCCN(C)CC(=O)N 2230a_100000739694_100011215890 [0,2,0,0,0,0|2,0,0]=4 9902 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,2,0,0,0,0|2,0,0]=4 9903 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,2,0,0,0,0|1,0,1]=4 9904 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,2,0,0,0,0|1,0,1]=4 9905 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,2,0,0,0,0|1,0,1]=4 9906 B10R0.6 CCSCCN(C)CC(=O)N 2230a_100000739694_100000757381 [0,2,0,0,0,0|2,0,0]=4 9907 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,2,0,0,0,0|2,0,0]=4 9908 B10R0.6 CN(CCCCF)CC(=O)N 2230a_100000739694_100000729493 [0,2,0,0,0,0|2,0,0]=4 9909 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,2,0,0,0,0|2,0,0]=4 9910 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000717598_100000747473 [0,2,0,0,0,0|2,0,0]=4 9911 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000739694_100000210776 [0,2,0,0,0,0|2,0,0]=4 9912 B10R0.6 CN(CCCCO)CC(=O)N 269982a_100000717598_100000187820 [0,2,0,0,0,0|2,0,0]=4 9913 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,2,0,0,0,0|2,0,0]=4 9914 B10R0.6 CN(CCCCO)CC(=O)[O-] 269982a_100000717598_100020667443 [0,2,0,0,0,0|2,0,0]=4 9915 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,2,0,0,0,0|1,0,1]=4 9916 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,2,0,0,0,0|1,0,1]=4 9917 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,2,0,0,0,0|1,0,1]=4 9918 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000224831_100000747473 [0,2,0,0,0,0|2,0,0]=4 9919 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000739694_100000740836 [0,2,0,0,0,0|2,0,0]=4 9920 B10R0.6 COCCCN(C)CC(=O)N 269982a_100000224831_100000187820 [0,2,0,0,0,0|2,0,0]=4 9921 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,2,0,0,0,0|2,0,0]=4 9922 B10R0.6 COCCCN(C)CC(=O)[O-] 269982a_100000224831_100020667443 [0,2,0,0,0,0|2,0,0]=4 9923 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,2,0,0,0,0|2,0,0]=4 9924 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,2,0,0,0,0|1,0,1]=4 9925 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,2,0,0,0,0|1,0,1]=4 9926 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,2,0,0,0,0|2,0,0]=4 9927 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,2,0,0,0,0|1,0,1]=4 9928 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,2,0,0,0,0|1,0,1]=4 9929 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,2,0,0,0,0|1,0,1]=4 9930 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,2,0,0,0,0|2,0,0]=4 9931 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,2,0,0,0,0|2,0,0]=4 9932 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,2,0,0,0,0|1,0,1]=4 9933 B10R0.22 C=CCCCCNC(C)(C)C 2230a_100000715429_100011215482 [0,2,0,0,0,0|2,0,0]=4 9934 B10R0.22 C=CCCCCNC(C)(C)C 34a_100000703577_100000210625 [0,2,0,0,0,0|2,0,0]=4 9935 B10R0.22 C=CCCCCOC(C)(C)C 34a_100000766645_100000210625 [0,2,0,0,0,0|2,0,0]=4 9936 B10R0.22 C=CCCCCOC(C)(C)C 34a_100015890283_100011215482 [0,2,0,0,0,0|2,0,0]=4 9937 B10R0.22 C=CCCCCOC(C)(C)C 7a_100015890283_100011215482 [0,2,0,0,0,0|2,0,0]=4 9938 B10R0.22 C=CCCCCSC(C)(C)C 62a_100000211941_100011215482 [0,2,0,0,0,0|2,0,0]=4 9939 B10R0.22 C=CCCCCSC(C)(C)C 62a_100011215482_100000211941 [0,2,0,0,0,0|2,0,0]=4 9940 B10R0.22 C=CCCCNCC(C)(C)C 2230a_100000743828_100011713584 [0,2,0,0,0,0|2,0,0]=4 9941 B10R0.22 C=CCCCNCC(C)(C)C 270004a_100000700776_100011204126 [0,2,0,0,0,0|2,0,0]=4 9942 B10R0.22 C=CCCCNCC(C)(C)C 34a_100000700776_100011219605 [0,2,0,0,0,0|2,0,0]=4 9943 B10R0.22 C=CCCCNCC(C)(C)F 2230a_100020643315_100011713584 [0,2,0,0,0,0|2,0,0]=4 9944 B10R0.22 C=CCCCNCC(C)(C)F 34a_100000700776_100011997219 [0,2,0,0,0,0|2,0,0]=4 9945 B10R0.22 C=CCCCNCC(C)(C)O 2230a_100000751335_100011713584 [0,2,0,0,0,0|2,0,0]=4 9946 B10R0.22 C=CCCCNCC(C)(C)O 34a_100000700776_100000764493 [0,2,0,0,0,0|2,0,0]=4 9947 B10R0.22 C=CCCCOCC(C)(C)C 34a_100000758997_100011219605 [0,2,0,0,0,0|2,0,0]=4 9948 B10R0.22 C=CCCCOCC(C)(C)F 34a_100000716592_100000757094 [0,2,0,0,0,0|2,0,0]=4 9949 B10R0.22 C=CCCCOCC(C)(C)F 34a_100000758997_100011997219 [0,2,0,0,0,0|2,0,0]=4 9950 B10R0.22 C=CCCCOCC(C)(C)O 34a_100000758997_100000764493 [0,2,0,0,0,0|2,0,0]=4 9951 B10R0.22 C=CCCCOCC(C)(C)O 7a_100000758997_100000764493 [0,2,0,0,0,0|2,0,0]=4 9952 B10R0.22 C=CCCCOCC(C)(F)F 34a_100000068830_100000757094 [0,2,0,0,0,0|2,0,0]=4 9953 B10R0.22 C=CCCCSCC(C)(C)C 62a_100011219605_100000757094 [0,2,0,0,0,0|2,0,0]=4 9954 B10R0.22 C=CCCCSCC(C)(C)C 62a_100011713584_100011219605 [0,2,0,0,0,0|2,0,0]=4 9955 B10R0.22 C=CCCCSCC(C)(C)F 62a_100011713584_100011997219 [0,2,0,0,0,0|2,0,0]=4 9956 B10R0.22 C=CCCCSCC(C)(C)F 62a_100011997219_100000757094 [0,2,0,0,0,0|2,0,0]=4 9957 B10R0.22 C=CCCCSCC(C)(C)O 62a_100000764493_100000757094 [0,2,0,0,0,0|2,0,0]=4 9958 B10R0.22 C=CCCCSCC(C)(C)O 62a_100011713584_100000764493 [0,2,0,0,0,0|2,0,0]=4 9959 B10R0.22 C=CCCNCCC(C)(C)C 2230a_100000738805_100000754431 [0,2,0,0,0,0|2,0,0]=4 9960 B10R0.22 C=CCCNCCC(C)(C)C 2230a_100015191253_100000755188 [0,2,0,0,0,0|2,0,0]=4 9961 B10R0.22 C=CCCNCCC(C)(C)F 2230a_100016253952_100000754431 [0,2,0,0,0,0|2,0,0]=4 9962 B10R0.22 C=CCCNCCC(C)(C)O 2230a_100015191253_100000702414 [0,2,0,0,0,0|2,0,0]=4 9963 B10R0.22 C=CCCOCCC(C)(C)C 34a_100011205117_100000755188 [0,2,0,0,0,0|2,0,0]=4 9964 B10R0.22 C=CCCOCCC(C)(C)C 7a_100000765024_100000754431 [0,2,0,0,0,0|2,0,0]=4 9965 B10R0.22 C=CCCOCCC(C)(C)O 34a_100011205117_100000702414 [0,2,0,0,0,0|2,0,0]=4 9966 B10R0.22 C=CCCSCCC(C)(C)C 62a_100000754431_100000755188 [0,2,0,0,0,0|2,0,0]=4 9967 B10R0.22 C=CCCSCCC(C)(C)C 62a_100000755188_100000754431 [0,2,0,0,0,0|2,0,0]=4 9968 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000702414_100000754431 [0,2,0,0,0,0|2,0,0]=4 9969 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000754431_100000702414 [0,2,0,0,0,0|2,0,0]=4 9970 B10R0.22 C=CCNCCCC(C)(C)O 2230a_100020586998_100009888830 [0,2,0,0,0,0|2,0,0]=4 9971 B10R0.22 C=CCOCCCC(C)(C)O 34a_200000210373_100009888830 [0,2,0,0,0,0|2,0,0]=4 9972 B10R0.22 C=CCSCCCC(C)(C)O 62a_100000210623_100009888830 [0,2,0,0,0,0|2,0,0]=4 9973 B10R0.22 C=CCSCCCC(C)(C)O 62a_100009888830_100000210623 [0,2,0,0,0,0|2,0,0]=4 9974 B10R0.22 CC(C)(C)CNCCCC=O 2230a_100000743828_200011292268 [0,2,0,0,0,0|1,0,0]=3 9975 B10R0.22 CC(C)(C)CSCCCC=O 62a_100011219605_200011292268 [0,2,0,0,0,0|1,0,0]=3 9976 B10R0.22 CC(C)(C)CSCCCC=O 62a_200011292268_100011219605 [0,2,0,0,0,0|1,0,0]=3 9977 B10R0.22 CC(C)(C)NCCCCC=O 2230a_100000715429_100000139335 [0,2,0,0,0,0|1,0,0]=3 9978 B10R0.22 CC(C)(C)OCCCCC=O 7a_100015890283_100000139335 [0,2,0,0,0,0|1,0,0]=3 9979 B10R0.22 CC(C)(C)OCCNCC=O 2230a_100000747557_200015260668 [0,2,0,0,0,0|2,0,0]=4 9980 B10R0.22 CC(C)(C)OCCOCC=O 34a_100000693234_200009817547 [0,2,0,0,0,0|2,0,0]=4 9981 B10R0.22 CC(C)(C)OCCOCC=O 7a_100000693234_200015260668 [0,2,0,0,0,0|2,0,0]=4 9982 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000139335_100000211941 [0,2,0,0,0,0|1,0,0]=3 9983 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000211941_100000139335 [0,2,0,0,0,0|1,0,0]=3 9984 B10R0.22 CC(C)(C)SCCNCC=O 2230a_100000689375_200015260668 [0,2,0,0,0,0|2,0,0]=4 9985 B10R0.22 CC(C)(F)CNCCCC=O 2230a_100020643315_200011292268 [0,2,0,0,0,0|1,0,0]=3 9986 B10R0.22 CC(C)(F)CSCCCC=O 62a_100011997219_200011292268 [0,2,0,0,0,0|1,0,0]=3 9987 B10R0.22 CC(C)(F)CSCCCC=O 62a_200011292268_100011997219 [0,2,0,0,0,0|1,0,0]=3 9988 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [0,2,0,0,0,0|2,0,0]=4 9989 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [0,2,0,0,0,0|2,0,0]=4 9990 B10R0.22 CC(C)(O)CCCSCC=O 62a_100009888830_200015260668 [0,2,0,0,0,0|1,0,0]=3 9991 B10R0.22 CC(C)(O)CCCSCC=O 62a_200015260668_100009888830 [0,2,0,0,0,0|1,0,0]=3 9992 B10R0.22 CC(C)(O)CNCCCC=O 2230a_100000751335_200011292268 [0,2,0,0,0,0|1,0,0]=3 9993 B10R0.22 CC(C)(O)CSCCCC=O 62a_100000764493_200011292268 [0,2,0,0,0,0|1,0,0]=3 9994 B10R0.22 CC(C)(O)CSCCCC=O 62a_200011292268_100000764493 [0,2,0,0,0,0|1,0,0]=3 9995 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [0,2,0,0,0,0|2,0,0]=4 9996 B10R0.22 CCCCCOCS(=O)(=O)[O-] 34a_100000210253_100009817235 [0,2,0,0,0,0|2,0,0]=4 9997 B10R0.22 CCCCCSCS(=O)(=O)N 62a_100000210326_100000741382 [0,2,0,0,0,0|2,0,0]=4 9998 B10R0.22 CCCCCSCS(=O)(=O)N 62a_100000741382_100000210326 [0,2,0,0,0,0|2,0,0]=4 9999 B10R0.22 CCCCCSCS(=O)(=O)[O-] 62a_100000210326_100009817235 [0,2,0,0,0,0|2,0,0]=4 10000 B10R0.22 CCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210326 [0,2,0,0,0,0|2,0,0]=4 10001 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000102301_100000731031 [0,2,0,0,0,0|2,0,0]=4 10002 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000740961_100000210211 [0,2,0,0,0,0|2,0,0]=4 10003 B10R0.22 CCCCNCCS(=O)(=O)C 34a_100000740961_100000210210 [0,2,0,0,0,0|2,0,0]=4 10004 B10R0.22 CCCCNCCS(=O)(=O)C 7a_106832991798_100000230027 [0,2,0,0,0,0|2,0,0]=4 10005 B10R0.22 CCCCNCCS(=O)(=O)N 2230a_100000738205_100000210211 [0,2,0,0,0,0|2,0,0]=4 10006 B10R0.22 CCCCNCCS(=O)(=O)N 34a_100000738205_100000210210 [0,2,0,0,0,0|2,0,0]=4 10007 B10R0.22 CCCCNCCS(=O)(=O)[O-] 2230a_100000102301_100000737633 [0,2,0,0,0,0|2,0,0]=4 10008 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [0,2,0,0,0,0|2,0,0]=4 10009 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [0,2,0,0,0,0|2,0,0]=4 10010 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [0,2,0,0,0,0|2,0,0]=4 10011 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [0,2,0,0,0,0|2,0,0]=4 10012 B10R0.22 CCCCOCCS(=O)(=O)N 34a_100012334274_100000210210 [0,2,0,0,0,0|2,0,0]=4 10013 B10R0.22 CCCCOCCS(=O)(=O)[O-] 34a_100000210227_100000762736 [0,2,0,0,0,0|2,0,0]=4 10014 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000210211_100000230027 [0,2,0,0,0,0|2,0,0]=4 10015 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000731031_100000210210 [0,2,0,0,0,0|2,0,0]=4 10016 B10R0.22 CCCCSCCS(=O)(=O)[O-] 62a_100000210211_100000762736 [0,2,0,0,0,0|2,0,0]=4 10017 B10R0.22 CCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210210 [0,2,0,0,0,0|2,0,0]=4 10018 B10R0.22 CCCNCCCS(=O)(=O)C 2230a_100000742409_100000210303 [0,2,0,0,0,0|2,0,0]=4 10019 B10R0.22 CCCNCCCS(=O)(=O)C 34a_100000742409_100000210303 [0,2,0,0,0,0|2,0,0]=4 10020 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [0,2,0,0,0,0|2,0,0]=4 10021 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [0,2,0,0,0,0|2,0,0]=4 10022 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [0,2,0,0,0,0|2,0,0]=4 10023 B10R0.22 CCCOCCCS(=O)(=O)N 34a_100000210258_100000750626 [0,2,0,0,0,0|2,0,0]=4 10024 B10R0.22 CCCOCCCS(=O)(=O)[O-] 34a_100000210258_100009813499 [0,2,0,0,0,0|2,0,0]=4 10025 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000210303_100000754308 [0,2,0,0,0,0|2,0,0]=4 10026 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000754308_100000210303 [0,2,0,0,0,0|2,0,0]=4 10027 B10R0.22 CCCSCCCS(=O)(=O)N 62a_100000210303_100000750626 [0,2,0,0,0,0|2,0,0]=4 10028 B10R0.22 CCCSCCCS(=O)(=O)N 62a_100000750626_100000210303 [0,2,0,0,0,0|2,0,0]=4 10029 B10R0.22 CCCSCCCS(=O)(=O)[O-] 62a_100000210303_100009813499 [0,2,0,0,0,0|2,0,0]=4 10030 B10R0.22 CCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210303 [0,2,0,0,0,0|2,0,0]=4 10031 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [0,2,0,0,0,0|2,0,0]=4 10032 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [0,2,0,0,0,0|2,0,0]=4 10033 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [0,2,0,0,0,0|2,0,0]=4 10034 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [0,2,0,0,0,0|2,0,0]=4 10035 B10R0.22 CS(=O)(=O)CCCNCC=O 2230a_100000742409_200015260668 [0,2,0,0,0,0|2,0,0]=4 10036 B10R0.22 CS(=O)(=O)CCCNCC=O 34a_100000742409_200009817547 [0,2,0,0,0,0|2,0,0]=4 10037 B10R0.22 CS(=O)(=O)CCCOCC=O 34a_100000689940_200009817547 [0,2,0,0,0,0|2,0,0]=4 10038 B10R0.22 CS(=O)(=O)CCCOCC=O 7a_100000689940_200015260668 [0,2,0,0,0,0|2,0,0]=4 10039 B10R0.22 CS(=O)(=O)CCCSCC=O 62a_100000754308_200015260668 [0,2,0,0,0,0|2,0,0]=4 10040 B10R0.22 CS(=O)(=O)CCCSCC=O 62a_200015260668_100000754308 [0,2,0,0,0,0|2,0,0]=4 10041 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [0,2,0,0,0,0|2,0,0]=4 10042 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [0,2,0,0,0,0|2,0,0]=4 10043 B10R0.22 C[N+](C)(C)CCCSCC=O 62a_100016990835_200015260668 [0,2,0,0,0,0|2,0,0]=4 10044 B10R0.22 C[N+](C)(C)CCCSCC=O 62a_200015260668_100016990835 [0,2,0,0,0,0|2,0,0]=4 10045 B10R0.22 C[N+](C)(C)CSCCCC=O 62a_200000036245_200011292268 [0,2,0,0,0,0|2,0,0]=4 10046 B10R0.22 C[N+](C)(C)CSCCCC=O 62a_200011292268_200000036245 [0,2,0,0,0,0|2,0,0]=4 10047 B10R0.22 C[Si](C)(C)CCCOCC=O 7a_200011215415_200015260668 [0,2,0,0,0,0|1,1,0]=4 10048 B10R0.22 C[Si](C)(C)CCCSCC=O 62a_100011219597_200015260668 [0,2,0,0,0,0|1,1,0]=4 10049 B10R0.22 C[Si](C)(C)CCCSCC=O 62a_200015260668_100011219597 [0,2,0,0,0,0|1,1,0]=4 10050 B10R0.22 C[Si](C)(C)CSCCCC=O 62a_100000037933_200011292268 [0,2,0,0,0,0|1,1,0]=4 10051 B10R0.22 C[Si](C)(C)CSCCCC=O 62a_200011292268_100000037933 [0,2,0,0,0,0|1,1,0]=4 10052 B10R0.22 O=CCCCCSC(F)(F)F 62a_100000139335_200103152311 [0,2,0,0,0,0|2,0,0]=4 10053 B10R0.22 O=CCCCCSC(F)(F)F 62a_200000243211_100000139335 [0,2,0,0,0,0|2,0,0]=4 10054 B10R0.22 O=CCCCSCC(F)(F)F 62a_100000763148_200011292268 [0,2,0,0,0,0|2,0,0]=4 10055 B10R0.22 O=CCCCSCC(F)(F)F 62a_200011292268_100000763148 [0,2,0,0,0,0|2,0,0]=4 10056 B10R0.22 O=CCNCCCC(F)(F)F 2230a_100000727188_200015260668 [0,2,0,0,0,0|2,0,0]=4 10057 B10R0.22 O=CCNCCCC(F)(F)F 34a_100000727188_200009817547 [0,2,0,0,0,0|2,0,0]=4 10058 B10R0.22 O=CCOCCCC(F)(F)F 34a_100000749235_200009817547 [0,2,0,0,0,0|2,0,0]=4 10059 B10R0.22 O=CCSCCCC(F)(F)F 62a_100011216173_200015260668 [0,2,0,0,0,0|2,0,0]=4 10060 B10R0.22 O=CCSCCCC(F)(F)F 62a_200015260668_100011216173 [0,2,0,0,0,0|2,0,0]=4 10061 B10R0.55 C=C(Br)CCOCC(C)CC 34a_100009813270_100000748023 [0,2,0,0,0,0|2,0,0]=4 10062 B10R0.55 C=C(Br)CCOCC(O)CC 34a_100009813270_100011218378 [0,2,0,0,0,0|2,0,0]=4 10063 B10R0.55 C=C(Br)CCOC[C@@H](C)CC 34a_100009813270_100009816398 [0,2,0,0,0,0|2,0,0]=4 10064 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [0,2,0,0,0,0|2,0,0]=4 10065 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [0,2,0,0,0,0|2,0,0]=4 10066 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,2,0,0,0,0|2,0,0]=4 10067 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [0,2,0,0,0,0|2,0,0]=4 10068 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,2,0,0,0,0|2,0,0]=4 10069 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,2,0,0,0,0|2,0,0]=4 10070 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [0,2,0,0,0,0|2,0,0]=4 10071 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [0,2,0,0,0,0|2,0,0]=4 10072 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [0,2,0,0,0,0|2,0,0]=4 10073 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [0,2,0,0,0,0|2,0,0]=4 10074 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [0,2,0,0,0,0|2,0,0]=4 10075 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [0,2,0,0,0,0|2,0,0]=4 10076 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [0,2,0,0,0,0|2,0,0]=4 10077 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,2,0,0,0,0|2,0,0]=4 10078 B10R0.55 C=C(F)CNCCC(C)CC 2230a_100020591266_100009893438 [0,2,0,0,0,0|2,0,0]=4 10079 B10R0.55 C=C(F)COCCC(C)CC 7a_100011215188_100000042424 [0,2,0,0,0,0|2,0,0]=4 10080 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,2,0,0,0,0|1,0,1]=4 10081 B10R0.55 C=CC(C)COCCC(C)C 34a_100011215527_100000210312 [0,2,0,0,0,0|2,0,0]=4 10082 B10R0.55 C=CC(C)COCCC(C)C 7a_100011215527_100000210626 [0,2,0,0,0,0|2,0,0]=4 10083 B10R0.55 C=CC(C)COCCC(C)O 34a_100011215527_100012276601 [0,2,0,0,0,0|2,0,0]=4 10084 B10R0.55 C=CC(C)COCCC(C)O 7a_100011215527_100012276601 [0,2,0,0,0,0|2,0,0]=4 10085 B10R0.55 C=CC(C)OCCCC(C)C 34a_100000695699_100011214892 [0,2,0,0,0,0|2,0,0]=4 10086 B10R0.55 C=CC(C)OCCCC(C)O 34a_100000695699_200000718107 [0,2,0,0,0,0|2,0,0]=4 10087 B10R0.55 C=CC(C)SCCCC(C)C 62a_100011215867_100011214892 [0,2,0,0,0,0|2,0,0]=4 10088 B10R0.55 C=CC(C)SCCCC(C)O 62a_100011215867_200000718107 [0,2,0,0,0,0|2,0,0]=4 10089 B10R0.55 C=CC(O)CNCCC(C)O 2230a_200000755665_100000730141 [0,2,0,0,0,0|2,0,0]=4 10090 B10R0.55 C=CC(O)COCCC(C)Br 34a_100009893172_100000730141 [0,2,0,0,0,0|2,0,0]=4 10091 B10R0.55 C=CC(O)COCCC(C)C 34a_100000210254_100000730141 [0,2,0,0,0,0|2,0,0]=4 10092 B10R0.55 C=CC(O)COCCC(C)C 7a_100000210254_100000730141 [0,2,0,0,0,0|2,0,0]=4 10093 B10R0.55 C=CC(O)COCC[C@@H](C)N 34a_100000706166_100000730141 [0,2,0,0,0,0|2,0,0]=4 10094 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000210312_100000730141 [0,2,0,0,0,0|2,0,0]=4 10095 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000730141_100000210312 [0,2,0,0,0,0|2,0,0]=4 10096 B10R0.55 C=CC(O)CSCCC(C)O 62a_100000730141_100012276601 [0,2,0,0,0,0|2,0,0]=4 10097 B10R0.55 C=CC(O)CSCCC(C)O 62a_100012276601_100000730141 [0,2,0,0,0,0|2,0,0]=4 10098 B10R0.55 C=C[C@H](N)COCCC(C)C 34a_100016989147_100000210312 [0,2,0,0,0,0|2,0,0]=4 10099 B10R0.55 C=C[C@H](N)COCCC(C)O 34a_100016989147_100012276601 [0,2,0,0,0,0|2,0,0]=4 10100 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|1,0,1]=4 10101 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [0,2,0,0,0,0|2,0,0]=4 10102 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [0,2,0,0,0,0|2,0,0]=4 10103 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [0,2,0,0,0,0|2,0,0]=4 10104 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,2,0,0,0,0|2,0,0]=4 10105 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,2,0,0,0,0|2,0,0]=4 10106 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,2,0,0,0,0|2,0,0]=4 10107 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,2,0,0,0,0|2,0,0]=4 10108 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,2,0,0,0,0|2,0,0]=4 10109 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,2,0,0,0,0|2,0,0]=4 10110 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,2,0,0,0,0|2,0,0]=4 10111 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,2,0,0,0,0|2,0,0]=4 10112 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,2,0,0,0,0|2,0,0]=4 10113 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,2,0,0,0,0|2,0,0]=4 10114 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,2,0,0,0,0|2,0,0]=4 10115 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,2,0,0,0,0|2,0,0]=4 10116 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,2,0,0,0,0|2,0,0]=4 10117 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,2,0,0,0,0|2,0,0]=4 10118 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,2,0,0,0,0|2,0,0]=4 10119 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,2,0,0,0,0|2,0,0]=4 10120 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,2,0,0,0,0|2,0,0]=4 10121 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,2,0,0,0,0|2,0,0]=4 10122 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,2,0,0,0,0|2,0,0]=4 10123 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,2,0,0,0,0|2,0,0]=4 10124 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,2,0,0,0,0|2,0,0]=4 10125 B10R0.55 CC(CF)OCCCC(=O)N 34a_100016041109_100102525003 [0,2,0,0,0,0|2,0,0]=4 10126 B10R0.55 CC(CF)OCCCC(=O)N 7a_100016041109_100102525003 [0,2,0,0,0,0|2,0,0]=4 10127 B10R0.55 CC(CN)COCCC(=O)N 34a_100000744482_100000731001 [0,2,0,0,0,0|2,0,0]=4 10128 B10R0.55 CC(CN)OCCCC(=O)N 34a_100000210904_100102525003 [0,2,0,0,0,0|2,0,0]=4 10129 B10R0.55 CC(CO)CCNCC(=O)N 2230a_106354213184_100000747473 [0,2,0,0,0,0|2,0,0]=4 10130 B10R0.55 CC(CO)CCNCC(=O)N 34a_106354213184_100000187820 [0,2,0,0,0,0|2,0,0]=4 10131 B10R0.55 CC(CO)CCNCC(=O)[O-] 34a_106354213184_100020667443 [0,2,0,0,0,0|2,0,0]=4 10132 B10R0.55 CC(CO)CNCCC(=O)N 34a_100000744482_100000731001 [0,2,0,0,0,0|2,0,0]=4 10133 B10R0.55 CC(CO)NCCCC(=O)N 34a_100000739312_100012180447 [0,2,0,0,0,0|2,0,0]=4 10134 B10R0.55 CC(CO)SCCCC(=O)N 62a_100012180447_100102525003 [0,2,0,0,0,0|2,0,0]=4 10135 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|0,0,1]=3 10136 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,2,0,0,0,0|1,0,1]=4 10137 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,0,0,0,0|1,0,1]=4 10138 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,2,0,0,0,0|1,0,1]=4 10139 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,2,0,0,0,0|1,0,1]=4 10140 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,2,0,0,0,0|1,0,1]=4 10141 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,2,0,0,0,0|1,0,1]=4 10142 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,2,0,0,0,0|1,0,1]=4 10143 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,2,0,0,0,0|1,0,1]=4 10144 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,2,0,0,0,0|1,0,1]=4 10145 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,2,0,0,0,0|1,0,1]=4 10146 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,2,0,0,0,0|1,0,1]=4 10147 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,2,0,0,0,0|1,0,1]=4 10148 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,2,0,0,0,0|1,0,1]=4 10149 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,2,0,0,0,0|1,0,1]=4 10150 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,2,0,0,0,0|1,0,0]=3 10151 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,2,0,0,0,0|1,0,0]=3 10152 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,2,0,0,0,0|1,0,0]=3 10153 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,2,0,0,0,0|2,0,0]=4 10154 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,2,0,0,0,0|1,0,0]=3 10155 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,2,0,0,0,0|1,0,0]=3 10156 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,2,0,0,0,0|1,0,0]=3 10157 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,2,0,0,0,0|1,0,0]=3 10158 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,2,0,0,0,0|1,0,0]=3 10159 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,2,0,0,0,0|1,0,0]=3 10160 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,2,0,0,0,0|1,0,0]=3 10161 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,2,0,0,0,0|1,0,0]=3 10162 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,2,0,0,0,0|2,0,0]=4 10163 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,2,0,0,0,0|2,0,0]=4 10164 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,2,0,0,0,0|1,0,0]=3 10165 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [0,2,0,0,0,0|2,0,0]=4 10166 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,2,0,0,0,0|2,0,0]=4 10167 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,2,0,0,0,0|2,0,0]=4 10168 B10R0.55 CCC(C)NCCNC(=O)N 2230a_100000209981_200000034859 [0,2,0,0,0,0|2,0,0]=4 10169 B10R0.55 CCC(C)NCCNC(=O)N 34a_100020590234_100011215416 [0,2,0,0,0,0|2,0,0]=4 10170 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,2,0,0,0,0|1,0,0]=3 10171 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,2,0,0,0,0|1,0,0]=3 10172 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,2,0,0,0,0|1,0,0]=3 10173 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,2,0,0,0,0|1,0,0]=3 10174 B10R0.55 CCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100011215416 [0,2,0,0,0,0|2,0,0]=4 10175 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,2,0,0,0,0|2,0,0]=4 10176 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,2,0,0,0,0|2,0,0]=4 10177 B10R0.55 CCC(C)OCCNC(=O)N 34a_100000181757_100011215416 [0,2,0,0,0,0|2,0,0]=4 10178 B10R0.55 CCC(C)OCCNC(=O)N 7a_100000210228_200000034859 [0,2,0,0,0,0|2,0,0]=4 10179 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,2,0,0,0,0|2,0,0]=4 10180 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,2,0,0,0,0|2,0,0]=4 10181 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,2,0,0,0,0|2,0,0]=4 10182 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,2,0,0,0,0|1,0,0]=3 10183 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,2,0,0,0,0|1,0,0]=3 10184 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,2,0,0,0,0|1,0,0]=3 10185 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,2,0,0,0,0|1,0,0]=3 10186 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,2,0,0,0,0|2,0,0]=4 10187 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,2,0,0,0,0|2,0,0]=4 10188 B10R0.55 CCC(C)SCCNC(=O)N 62a_100000758301_200000034859 [0,2,0,0,0,0|2,0,0]=4 10189 B10R0.55 CCC(C)SCCNC(=O)N 62a_200000034859_100000758301 [0,2,0,0,0,0|2,0,0]=4 10190 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,2,0,0,0,0|2,0,0]=4 10191 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,2,0,0,0,0|2,0,0]=4 10192 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,2,0,0,0,0|2,0,0]=4 10193 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,2,0,0,0,0|2,0,0]=4 10194 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,2,0,0,0,0|1,0,0]=3 10195 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,2,0,0,0,0|2,0,0]=4 10196 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,2,0,0,0,0|1,0,0]=3 10197 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,2,0,0,0,0|1,0,0]=3 10198 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,2,0,0,0,0|1,0,0]=3 10199 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,2,0,0,0,0|1,0,0]=3 10200 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,2,0,0,0,0|1,0,0]=3 10201 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,2,0,0,0,0|1,0,0]=3 10202 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,2,0,0,0,0|1,0,0]=3 10203 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,2,0,0,0,0|1,0,0]=3 10204 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,2,0,0,0,0|2,0,0]=4 10205 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,2,0,0,0,0|2,0,0]=4 10206 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,2,0,0,0,0|1,0,0]=3 10207 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,2,0,0,0,0|2,0,0]=4 10208 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,2,0,0,0,0|2,0,0]=4 10209 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,2,0,0,0,0|2,0,0]=4 10210 B10R0.55 CCN(C)CCOCC(=O)N 2230a_100000225621_100000076697 [0,2,0,0,0,0|2,0,0]=4 10211 B10R0.55 CCN(C)CCOCC(=O)N 269982a_100000225621_100000076697 [0,2,0,0,0,0|2,0,0]=4 10212 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,2,0,0,0,0|2,0,0]=4 10213 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,2,0,0,0,0|1,0,0]=3 10214 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,2,0,0,0,0|1,0,0]=3 10215 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,2,0,0,0,0|1,0,0]=3 10216 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,2,0,0,0,0|1,0,0]=3 10217 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,2,0,0,0,0|1,0,0]=3 10218 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,2,0,0,0,0|1,0,0]=3 10219 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,2,0,0,0,0|1,0,0]=3 10220 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,2,0,0,0,0|1,0,0]=3 10221 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,2,0,0,0,0|1,0,0]=3 10222 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,2,0,0,0,0|1,0,0]=3 10223 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,2,0,0,0,0|2,0,0]=4 10224 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,2,0,0,0,0|2,0,0]=4 10225 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|1,0,1]=4 10226 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|1,0,1]=4 10227 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|1,0,1]=4 10228 B10R0.55 COC(C)CCOCC(=O)N 7a_100000764861_100000187820 [0,2,0,0,0,0|2,0,0]=4 10229 B10R0.55 COC(C)COCCC(=O)N 34a_100000690652_100000731001 [0,2,0,0,0,0|2,0,0]=4 10230 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,2,0,0,0,0|2,0,0]=4 10231 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,2,0,0,0,0|2,0,0]=4 10232 B10R0.55 COC(C)SCCCC(=O)N 62a_100009879195_100102525003 [0,2,0,0,0,0|2,0,0]=4 10233 B10R0.55 COC(C)SCCCC(=O)N 62a_100102525003_100009879195 [0,2,0,0,0,0|2,0,0]=4 10234 B10R0.55 CO[C@H](C)CNCCC(=O)N 2230a_100020591295_100000744528 [0,2,0,0,0,0|2,0,0]=4 10235 B10R0.55 C[C@@H](CO)COCCC(=O)N 34a_100000757172_100000059175 [0,2,0,0,0,0|2,0,0]=4 10236 B10R0.55 C[C@@H](CO)COCCC(=O)N 7a_100000757172_100000059175 [0,2,0,0,0,0|2,0,0]=4 10237 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000059175_100000744528 [0,2,0,0,0,0|2,0,0]=4 10238 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000744528_100000059175 [0,2,0,0,0,0|2,0,0]=4 10239 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100016084084_100102525003 [0,2,0,0,0,0|2,0,0]=4 10240 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100102525003_100016084084 [0,2,0,0,0,0|2,0,0]=4 10241 B10R0.55 NC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000731001 [0,2,0,0,0,0|2,0,0]=4 10242 B10R0.55 NC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000744528 [0,2,0,0,0,0|2,0,0]=4 10243 B10R0.55 NC(=O)CCOCC(Cl)CCl 34a_100000033668_100000731001 [0,2,0,0,0,0|2,0,0]=4 10244 B10R0.55 NC(=O)CCOCC(O)CO 34a_100000757172_100011219619 [0,2,0,0,0,0|2,0,0]=4 10245 B10R0.55 NC(=O)CCOCC(O)CO 7a_100000757172_100011219619 [0,2,0,0,0,0|2,0,0]=4 10246 B10R0.55 NC(=O)CCOC[C@@H](O)CF 34a_100000757172_100015614560 [0,2,0,0,0,0|2,0,0]=4 10247 B10R0.55 NC(=O)CCOC[C@@H](O)CF 7a_100000757172_100015614560 [0,2,0,0,0,0|2,0,0]=4 10248 B10R0.55 NC(=O)CCOC[C@@H](O)CO 34a_100000757172_100009815848 [0,2,0,0,0,0|2,0,0]=4 10249 B10R0.55 NC(=O)CCOC[C@@H](O)CO 7a_100000757172_100009815848 [0,2,0,0,0,0|2,0,0]=4 10250 B10R0.55 NC(=O)CCSCC(O)CO 62a_100000744528_100011219619 [0,2,0,0,0,0|2,0,0]=4 10251 B10R0.55 NC(=O)CCSCC(O)CO 62a_100011219619_100000744528 [0,2,0,0,0,0|2,0,0]=4 10252 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100000744528_100015614560 [0,2,0,0,0,0|2,0,0]=4 10253 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000744528 [0,2,0,0,0,0|2,0,0]=4 10254 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100000744528_100009815848 [0,2,0,0,0,0|2,0,0]=4 10255 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000744528 [0,2,0,0,0,0|2,0,0]=4 10256 B10R0.55 NC[C@@H](F)COCCC(=O)N 34a_100015665980_100000731001 [0,2,0,0,0,0|2,0,0]=4 10257 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,2,0,0,0,0|1,0,1]=4 10258 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,2,0,0,0,0|0,0,2]=4 10259 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,2,0,0,0,0|0,0,0]=2 10260 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,2,0,0,0,0|1,0,0]=3 10261 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,2,0,0,0,0|1,0,0]=3 10262 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,2,0,0,0,0|1,0,0]=3 10263 B10R0.74 C#CC(=O)CCOCCOC 1458a_100000211873_100000695917 [0,2,0,0,0,0|2,0,0]=4 10264 B10R0.74 C#CC(C)NCCCCC=C 2230a_100000707721_100011215482 [0,2,0,0,0,0|2,0,0]=4 10265 B10R0.74 C#CC(C)NCCCCC=C 34a_100000703577_200000035995 [0,2,0,0,0,0|2,0,0]=4 10266 B10R0.74 C#CC(C)NCCCCC=C 34a_100000707721_100011215482 [0,2,0,0,0,0|2,0,0]=4 10267 B10R0.74 C#CC(C)NCCCCC=O 2230a_100000707721_100000139335 [0,2,0,0,0,0|1,0,0]=3 10268 B10R0.74 C#CC(C)NCCCCCC 2230a_100000707721_100000210314 [0,2,0,0,0,0|1,0,1]=4 10269 B10R0.74 C#CC(C)NCCCCCC 34a_100000707721_100000210314 [0,2,0,0,0,0|1,0,1]=4 10270 B10R0.74 C#CC(C)OCCCCC=C 34a_100000766645_200000035995 [0,2,0,0,0,0|2,0,0]=4 10271 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,2,0,0,0,0|1,0,1]=4 10272 B10R0.74 C#CC(C)SCCCCC=C 62a_200000035995_100011215482 [0,2,0,0,0,0|2,0,0]=4 10273 B10R0.74 C#CC(C)SCCCCC=O 62a_200000035995_100000139335 [0,2,0,0,0,0|1,0,0]=3 10274 B10R0.74 C#CC(C)SCCCCCC 62a_200000035995_100000210757 [0,2,0,0,0,0|1,0,1]=4 10275 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,2,0,0,0,0|1,0,1]=4 10276 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,2,0,0,0,0|1,0,1]=4 10277 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,2,0,0,0,0|1,0,1]=4 10278 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,2,0,0,0,0|1,0,1]=4 10279 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,2,0,0,0,0|1,0,1]=4 10280 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,2,0,0,0,0|1,0,1]=4 10281 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,2,0,0,0,0|1,0,1]=4 10282 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,2,0,0,0,0|1,0,1]=4 10283 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,2,0,0,0,0|0,0,2]=4 10284 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,2,0,0,0,0|0,0,2]=4 10285 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,2,0,0,0,0|0,0,2]=4 10286 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,2,0,0,0,0|0,0,2]=4 10287 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,2,0,0,0,0|0,0,2]=4 10288 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,2,0,0,0,0|0,0,2]=4 10289 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,2,0,0,0,0|0,0,2]=4 10290 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,2,0,0,0,0|0,0,2]=4 10291 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,2,0,0,0,0|0,0,2]=4 10292 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,2,0,0,0,0|0,0,2]=4 10293 B10R0.74 C#CCCCCCN(C)CC 2230a_100000225621_100012094781 [0,2,0,0,0,0|1,0,1]=4 10294 B10R0.74 C#CCCCCCN(C)CC 269982a_100000225621_100012094781 [0,2,0,0,0,0|1,0,1]=4 10295 B10R0.74 C#CCCCCNC(C)CC 2230a_100000209981_100010269958 [0,2,0,0,0,0|1,0,1]=4 10296 B10R0.74 C#CCCCCNC(C)CC 2230a_100000706060_100000758301 [0,2,0,0,0,0|1,0,1]=4 10297 B10R0.74 C#CCCCCNC(C)CC 34a_100000706060_100011215416 [0,2,0,0,0,0|1,0,1]=4 10298 B10R0.74 C#CCCCCOC(C)CC 34a_100000766709_100011215416 [0,2,0,0,0,0|1,0,1]=4 10299 B10R0.74 C#CCCCCOC(C)CC 7a_100000210228_100010269958 [0,2,0,0,0,0|1,0,1]=4 10300 B10R0.74 C#CCCCCOC(C)CC 7a_100000766709_100000758301 [0,2,0,0,0,0|1,0,1]=4 10301 B10R0.74 C#CCCCCSC(C)CC 62a_100000758301_100010269958 [0,2,0,0,0,0|1,0,1]=4 10302 B10R0.74 C#CCCCCSC(C)CC 62a_100010269958_100000758301 [0,2,0,0,0,0|1,0,1]=4 10303 B10R0.74 C#CCCCNCC(C)CC 2230a_100020588543_100000731252 [0,2,0,0,0,0|1,0,1]=4 10304 B10R0.74 C#CCCCNCC(C)CC 270004a_100000718082_100000243153 [0,2,0,0,0,0|1,0,1]=4 10305 B10R0.74 C#CCCCNCC(C)CC 34a_100000718082_100000748023 [0,2,0,0,0,0|1,0,1]=4 10306 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,2,0,0,0,0|1,0,1]=4 10307 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,2,0,0,0,0|1,0,1]=4 10308 B10R0.74 C#CCCCNC[C@@H](C)CC 34a_100000718082_100009816398 [0,2,0,0,0,0|1,0,1]=4 10309 B10R0.74 C#CCCCOCC(C)CC 34a_100000215630_100000748023 [0,2,0,0,0,0|1,0,1]=4 10310 B10R0.74 C#CCCCOCC(C)CC 7a_100000215630_100000748023 [0,2,0,0,0,0|1,0,1]=4 10311 B10R0.74 C#CCCCOCC(O)CC 34a_100000215630_100011218378 [0,2,0,0,0,0|1,0,1]=4 10312 B10R0.74 C#CCCCOCC(O)CC 7a_100000215630_100011218378 [0,2,0,0,0,0|1,0,1]=4 10313 B10R0.74 C#CCCCOC[C@@H](C)CC 34a_100000215630_100009816398 [0,2,0,0,0,0|1,0,1]=4 10314 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100000215630_100009816398 [0,2,0,0,0,0|1,0,1]=4 10315 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100009816381_100011215417 [0,2,0,0,0,0|1,0,1]=4 10316 B10R0.74 C#CCCCSCC(C)CC 62a_100000748023_100011215417 [0,2,0,0,0,0|1,0,1]=4 10317 B10R0.74 C#CCCCSCC(C)CC 62a_100011215417_100000748023 [0,2,0,0,0,0|1,0,1]=4 10318 B10R0.74 C#CCCCSCC(O)CC 62a_100011215417_100011218378 [0,2,0,0,0,0|1,0,1]=4 10319 B10R0.74 C#CCCCSCC(O)CC 62a_100011218378_100011215417 [0,2,0,0,0,0|1,0,1]=4 10320 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100009816398_100011215417 [0,2,0,0,0,0|1,0,1]=4 10321 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100011215417_100009816398 [0,2,0,0,0,0|1,0,1]=4 10322 B10R0.74 C#CCCNCCC(C)CC 2230a_100020591266_100000688953 [0,2,0,0,0,0|1,0,1]=4 10323 B10R0.74 C#CCCOCCC(C)CC 7a_100011215188_100000688953 [0,2,0,0,0,0|1,0,1]=4 10324 B10R0.74 C#CCOCCCC(C)CC 7a_100011216074_100000038162 [0,2,0,0,0,0|1,0,1]=4 10325 B10R0.74 C#C[C@@H](C)OCCCCC=C 34a_100009815206_100011215482 [0,2,0,0,0,0|2,0,0]=4 10326 B10R0.74 C#C[C@@H](C)OCCCCC=C 7a_100009815206_100011215482 [0,2,0,0,0,0|2,0,0]=4 10327 B10R0.74 C#C[C@@H](C)OCCCCC=O 7a_100009815206_100000139335 [0,2,0,0,0,0|1,0,0]=3 10328 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,2,0,0,0,0|1,0,1]=4 10329 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,2,0,0,0,0|1,0,1]=4 10330 B10R0.74 C/C=C/CCOCC(C)CC 34a_100016278192_100000748023 [0,2,0,0,0,0|1,0,1]=4 10331 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,2,0,0,0,0|1,0,1]=4 10332 B10R0.74 C/C=C/CCOC[C@@H](C)CC 34a_100016278192_100009816398 [0,2,0,0,0,0|1,0,1]=4 10333 B10R0.74 C/C=C/COCCC(C)CC 7a_100011215188_100102629194 [0,2,0,0,0,0|1,0,1]=4 10334 B10R0.74 C=C(C#N)CNCCCCC 2230a_100000209983_100000694840 [0,2,0,0,0,0|2,0,0]=4 10335 B10R0.74 C=C(C#N)COCCCCC 34a_100000210253_100000694840 [0,2,0,0,0,0|2,0,0]=4 10336 B10R0.74 C=C(C#N)CSCCCCC 62a_100000210326_100000694840 [0,2,0,0,0,0|2,0,0]=4 10337 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,2,0,0,0,0|1,0,1]=4 10338 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,0,0,0,0|0,0,0]=2 10339 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,2,0,0,0,0|1,0,0]=3 10340 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,2,0,0,0,0|1,0,0]=3 10341 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,2,0,0,0,0|1,0,0]=3 10342 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,2,0,0,0,0|2,0,0]=4 10343 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,2,0,0,0,0|1,0,0]=3 10344 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,2,0,0,0,0|1,0,0]=3 10345 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,2,0,0,0,0|2,0,0]=4 10346 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,2,0,0,0,0|2,0,0]=4 10347 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,2,0,0,0,0|2,0,0]=4 10348 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,2,0,0,0,0|2,0,0]=4 10349 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,2,0,0,0,0|2,0,0]=4 10350 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,2,0,0,0,0|2,0,0]=4 10351 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,2,0,0,0,0|2,0,0]=4 10352 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,2,0,0,0,0|2,0,0]=4 10353 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,2,0,0,0,0|2,0,0]=4 10354 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,2,0,0,0,0|2,0,0]=4 10355 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,2,0,0,0,0|2,0,0]=4 10356 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,2,0,0,0,0|2,0,0]=4 10357 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,2,0,0,0,0|2,0,0]=4 10358 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,2,0,0,0,0|2,0,0]=4 10359 B10R0.74 C=CC(C)COCCCC=O 7a_100011215527_200011292268 [0,2,0,0,0,0|1,0,0]=3 10360 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,2,0,0,0,0|1,0,0]=3 10361 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,2,0,0,0,0|1,0,0]=3 10362 B10R0.74 C=CC(C)COCCCCF 34a_100011215527_100000729493 [0,2,0,0,0,0|2,0,0]=4 10363 B10R0.74 C=CC(C)COCCCCF 7a_100011215527_100000729493 [0,2,0,0,0,0|2,0,0]=4 10364 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [0,2,0,0,0,0|2,0,0]=4 10365 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [0,2,0,0,0,0|2,0,0]=4 10366 B10R0.74 C=CC(C)COCCCOC 34a_100011215527_100000740836 [0,2,0,0,0,0|2,0,0]=4 10367 B10R0.74 C=CC(C)COCCCOC 7a_100011215527_100000740836 [0,2,0,0,0,0|2,0,0]=4 10368 B10R0.74 C=CC(C)COCCOCC 34a_100011215527_100000210147 [0,2,0,0,0,0|2,0,0]=4 10369 B10R0.74 C=CC(C)COCCOCC 7a_100011215527_100011215890 [0,2,0,0,0,0|2,0,0]=4 10370 B10R0.74 C=CC(C)COCCSCC 34a_100011215527_100000757381 [0,2,0,0,0,0|2,0,0]=4 10371 B10R0.74 C=CC(C)COCCSCC 7a_100011215527_100000757381 [0,2,0,0,0,0|2,0,0]=4 10372 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,2,0,0,0,0|1,0,0]=3 10373 B10R0.74 C=CC(C)OCCCCCF 34a_100000695699_100000729378 [0,2,0,0,0,0|2,0,0]=4 10374 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,2,0,0,0,0|2,0,0]=4 10375 B10R0.74 C=CC(C)OCCCCOC 34a_100000695699_100000755781 [0,2,0,0,0,0|2,0,0]=4 10376 B10R0.74 C=CC(C)OCCCOCC 34a_100000695699_100012232248 [0,2,0,0,0,0|2,0,0]=4 10377 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [0,2,0,0,0,0|2,0,0]=4 10378 B10R0.74 C=CC(C)OCOCCCC 34a_100000695699_100011995733 [0,2,0,0,0,0|2,0,0]=4 10379 B10R0.74 C=CC(C)SCCCCC=O 62a_100011215867_100000139335 [0,2,0,0,0,0|1,0,0]=3 10380 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,2,0,0,0,0|1,0,0]=3 10381 B10R0.74 C=CC(C)SCCCCCF 62a_100011215867_100000729378 [0,2,0,0,0,0|2,0,0]=4 10382 B10R0.74 C=CC(C)SCCCCCO 62a_100011215867_100000746330 [0,2,0,0,0,0|2,0,0]=4 10383 B10R0.74 C=CC(C)SCCCCOC 62a_100011215867_100000730899 [0,2,0,0,0,0|2,0,0]=4 10384 B10R0.74 C=CC(C)SCCCOCC 62a_100011215867_100012232248 [0,2,0,0,0,0|2,0,0]=4 10385 B10R0.74 C=CC(C)SCCOCCC 62a_100011215867_100011215938 [0,2,0,0,0,0|2,0,0]=4 10386 B10R0.74 C=CC(C)SCOCCCC 62a_100011215867_100011995733 [0,2,0,0,0,0|2,0,0]=4 10387 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,2,0,0,0,0|1,0,0]=3 10388 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,2,0,0,0,0|2,0,0]=4 10389 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,2,0,0,0,0|2,0,0]=4 10390 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,2,0,0,0,0|2,0,0]=4 10391 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,2,0,0,0,0|2,0,0]=4 10392 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,2,0,0,0,0|2,0,0]=4 10393 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,2,0,0,0,0|2,0,0]=4 10394 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,2,0,0,0,0|2,0,0]=4 10395 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,2,0,0,0,0|2,0,0]=4 10396 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,2,0,0,0,0|1,0,0]=3 10397 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,2,0,0,0,0|1,0,0]=3 10398 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,2,0,0,0,0|2,0,0]=4 10399 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,2,0,0,0,0|2,0,0]=4 10400 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,2,0,0,0,0|2,0,0]=4 10401 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,2,0,0,0,0|2,0,0]=4 10402 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,2,0,0,0,0|2,0,0]=4 10403 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,2,0,0,0,0|2,0,0]=4 10404 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,2,0,0,0,0|2,0,0]=4 10405 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,2,0,0,0,0|2,0,0]=4 10406 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,2,0,0,0,0|2,0,0]=4 10407 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,2,0,0,0,0|2,0,0]=4 10408 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,2,0,0,0,0|2,0,0]=4 10409 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,2,0,0,0,0|2,0,0]=4 10410 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,2,0,0,0,0|2,0,0]=4 10411 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,2,0,0,0,0|2,0,0]=4 10412 B10R0.74 C=CC(O)CSCCCC=O 62a_100000730141_200011292268 [0,2,0,0,0,0|0,0,2]=4 10413 B10R0.74 C=CC(O)CSCCCC=O 62a_200011292268_100000730141 [0,2,0,0,0,0|0,0,2]=4 10414 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,2,0,0,0,0|1,0,0]=3 10415 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,2,0,0,0,0|1,0,0]=3 10416 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,2,0,0,0,0|2,0,0]=4 10417 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,2,0,0,0,0|2,0,0]=4 10418 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,2,0,0,0,0|2,0,0]=4 10419 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,2,0,0,0,0|2,0,0]=4 10420 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,2,0,0,0,0|2,0,0]=4 10421 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,2,0,0,0,0|2,0,0]=4 10422 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,2,0,0,0,0|2,0,0]=4 10423 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,2,0,0,0,0|2,0,0]=4 10424 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,2,0,0,0,0|2,0,0]=4 10425 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,2,0,0,0,0|2,0,0]=4 10426 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,2,0,0,0,0|0,0,2]=4 10427 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|1,0,0]=3 10428 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|1,0,0]=3 10429 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,2,0,0,0,0|0,0,2]=4 10430 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,2,0,0,0,0|0,0,2]=4 10431 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,2,0,0,0,0|0,0,2]=4 10432 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,2,0,0,0,0|0,0,2]=4 10433 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,2,0,0,0,0|0,0,2]=4 10434 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,2,0,0,0,0|0,0,2]=4 10435 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,2,0,0,0,0|1,0,0]=3 10436 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,2,0,0,0,0|1,0,0]=3 10437 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,2,0,0,0,0|1,0,1]=4 10438 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,2,0,0,0,0|1,0,1]=4 10439 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,2,0,0,0,0|1,0,1]=4 10440 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,2,0,0,0,0|1,0,1]=4 10441 B10R0.74 C=CCCCCNC(C)C#N 2230a_100000703577_100000184139 [0,2,0,0,0,0|2,0,0]=4 10442 B10R0.74 C=CCCCCNC(C)C#N 2230a_100000737613_100011215482 [0,2,0,0,0,0|2,0,0]=4 10443 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [0,2,0,0,0,0|1,0,0]=3 10444 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [0,2,0,0,0,0|1,0,0]=3 10445 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [0,2,0,0,0,0|1,0,0]=3 10446 B10R0.74 C=CCCCCNC(C)CO 2230a_100000703577_100012180447 [0,2,0,0,0,0|2,0,0]=4 10447 B10R0.74 C=CCCCCNC(C)CO 34a_100000703577_100012180447 [0,2,0,0,0,0|2,0,0]=4 10448 B10R0.74 C=CCCCCN[C@H](C)CO 2230a_100000737577_100011215482 [0,2,0,0,0,0|2,0,0]=4 10449 B10R0.74 C=CCCCCOC(C)C#N 34a_100011218135_100011215482 [0,2,0,0,0,0|2,0,0]=4 10450 B10R0.74 C=CCCCCOC(C)C#N 7a_100000766645_100000703298 [0,2,0,0,0,0|2,0,0]=4 10451 B10R0.74 C=CCCCCOC(C)C=C 34a_100000695699_100011215482 [0,2,0,0,0,0|2,0,0]=4 10452 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,2,0,0,0,0|1,0,0]=3 10453 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,2,0,0,0,0|1,0,0]=3 10454 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,2,0,0,0,0|1,0,0]=3 10455 B10R0.74 C=CCCCCOC(C)CF 34a_100016041109_100011215482 [0,2,0,0,0,0|2,0,0]=4 10456 B10R0.74 C=CCCCCOC(C)CF 7a_100016041109_100011215482 [0,2,0,0,0,0|2,0,0]=4 10457 B10R0.74 C=CCCCCOC(C)CN 34a_100000210904_100011215482 [0,2,0,0,0,0|2,0,0]=4 10458 B10R0.74 C=CCCCCOC(C)CO 34a_100000766645_100012180447 [0,2,0,0,0,0|2,0,0]=4 10459 B10R0.74 C=CCCCCOC(C)CO 7a_100000766645_100012180447 [0,2,0,0,0,0|2,0,0]=4 10460 B10R0.74 C=CCCCCSC(C)C#N 62a_100000703298_100011215482 [0,2,0,0,0,0|2,0,0]=4 10461 B10R0.74 C=CCCCCSC(C)C#N 62a_100011215482_100000703298 [0,2,0,0,0,0|2,0,0]=4 10462 B10R0.74 C=CCCCCSC(C)C=C 62a_100011215867_100011215482 [0,2,0,0,0,0|2,0,0]=4 10463 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [0,2,0,0,0,0|1,0,0]=3 10464 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [0,2,0,0,0,0|1,0,0]=3 10465 B10R0.74 C=CCCCCSC(C)CO 62a_100012180447_100011215482 [0,2,0,0,0,0|2,0,0]=4 10466 B10R0.74 C=CCCCCSC(C)OC 62a_100009879195_100011215482 [0,2,0,0,0,0|2,0,0]=4 10467 B10R0.74 C=CCCCCSC(C)OC 62a_100011215482_100009879195 [0,2,0,0,0,0|2,0,0]=4 10468 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100011215482_100016084084 [0,2,0,0,0,0|2,0,0]=4 10469 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100016084084_100011215482 [0,2,0,0,0,0|2,0,0]=4 10470 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [0,2,0,0,0,0|1,0,0]=3 10471 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [0,2,0,0,0,0|1,0,0]=3 10472 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [0,2,0,0,0,0|1,0,0]=3 10473 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [0,2,0,0,0,0|1,0,0]=3 10474 B10R0.74 C=CCCCNCC(C)CO 34a_100000744482_100000757094 [0,2,0,0,0,0|2,0,0]=4 10475 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,2,0,0,0,0|1,0,0]=3 10476 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,2,0,0,0,0|1,0,0]=3 10477 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,2,0,0,0,0|1,0,0]=3 10478 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,2,0,0,0,0|2,0,0]=4 10479 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,2,0,0,0,0|2,0,0]=4 10480 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [0,2,0,0,0,0|1,0,0]=3 10481 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [0,2,0,0,0,0|1,0,0]=3 10482 B10R0.74 C=CCCCNC[C@@H](C)CO 2230a_100000700776_100000059175 [0,2,0,0,0,0|2,0,0]=4 10483 B10R0.74 C=CCCCNC[C@@H](C)CO 34a_100000700776_100000059175 [0,2,0,0,0,0|2,0,0]=4 10484 B10R0.74 C=CCCCNC[C@@H](C)OC 2230a_100020591295_100011713584 [0,2,0,0,0,0|2,0,0]=4 10485 B10R0.74 C=CCCCNC[C@@H](F)CO 34a_100015665980_100000757094 [0,2,0,0,0,0|2,0,0]=4 10486 B10R0.74 C=CCCCNC[C@@H](O)CF 2230a_100000700776_100015614560 [0,2,0,0,0,0|2,0,0]=4 10487 B10R0.74 C=CCCCNC[C@@H](O)CF 34a_100000700776_100015614560 [0,2,0,0,0,0|2,0,0]=4 10488 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,2,0,0,0,0|2,0,0]=4 10489 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,2,0,0,0,0|2,0,0]=4 10490 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,2,0,0,0,0|2,0,0]=4 10491 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,2,0,0,0,0|1,0,1]=4 10492 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,2,0,0,0,0|1,0,1]=4 10493 B10R0.74 C=CCCCOCC(C)C=C 34a_100011215527_100000757094 [0,2,0,0,0,0|2,0,0]=4 10494 B10R0.74 C=CCCCOCC(C)C=C 7a_100011215527_100000757094 [0,2,0,0,0,0|2,0,0]=4 10495 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,2,0,0,0,0|1,0,0]=3 10496 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,2,0,0,0,0|1,0,0]=3 10497 B10R0.74 C=CCCCOCC(C)CN 34a_100000744482_100000757094 [0,2,0,0,0,0|2,0,0]=4 10498 B10R0.74 C=CCCCOCC(C)OC 34a_100000690652_100000757094 [0,2,0,0,0,0|2,0,0]=4 10499 B10R0.74 C=CCCCOCC(Cl)CCl 34a_100000033668_100000757094 [0,2,0,0,0,0|2,0,0]=4 10500 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,2,0,0,0,0|1,0,0]=3 10501 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,2,0,0,0,0|1,0,0]=3 10502 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,2,0,0,0,0|2,0,0]=4 10503 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,2,0,0,0,0|2,0,0]=4 10504 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,2,0,0,0,0|1,0,0]=3 10505 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,2,0,0,0,0|1,0,0]=3 10506 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,2,0,0,0,0|1,0,0]=3 10507 B10R0.74 C=CCCCOC[C@@H](C)CO 34a_100000758997_100000059175 [0,2,0,0,0,0|2,0,0]=4 10508 B10R0.74 C=CCCCOC[C@@H](C)CO 7a_100000758997_100000059175 [0,2,0,0,0,0|2,0,0]=4 10509 B10R0.74 C=CCCCOC[C@@H](O)CF 34a_100000758997_100015614560 [0,2,0,0,0,0|2,0,0]=4 10510 B10R0.74 C=CCCCOC[C@@H](O)CF 7a_100000758997_100015614560 [0,2,0,0,0,0|2,0,0]=4 10511 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,2,0,0,0,0|2,0,0]=4 10512 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,2,0,0,0,0|2,0,0]=4 10513 B10R0.74 C=CCCCOC[C@H](F)CN 34a_100015665980_100000757094 [0,2,0,0,0,0|2,0,0]=4 10514 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,2,0,0,0,0|1,0,1]=4 10515 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,2,0,0,0,0|1,0,1]=4 10516 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [0,2,0,0,0,0|1,0,0]=3 10517 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [0,2,0,0,0,0|1,0,0]=3 10518 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,2,0,0,0,0|1,0,0]=3 10519 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,2,0,0,0,0|1,0,0]=3 10520 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,2,0,0,0,0|2,0,0]=4 10521 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,2,0,0,0,0|2,0,0]=4 10522 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [0,2,0,0,0,0|1,0,0]=3 10523 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [0,2,0,0,0,0|1,0,0]=3 10524 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100000059175_100000757094 [0,2,0,0,0,0|2,0,0]=4 10525 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100011713584_100000059175 [0,2,0,0,0,0|2,0,0]=4 10526 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100011713584_100015614560 [0,2,0,0,0,0|2,0,0]=4 10527 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100015614560_100000757094 [0,2,0,0,0,0|2,0,0]=4 10528 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,2,0,0,0,0|2,0,0]=4 10529 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,2,0,0,0,0|2,0,0]=4 10530 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [0,2,0,0,0,0|1,0,0]=3 10531 B10R0.74 C=CCCNCCC(C)CO 2230a_106354213184_100000754431 [0,2,0,0,0,0|2,0,0]=4 10532 B10R0.74 C=CCCNCCC(C)CO 34a_106354213184_100000754431 [0,2,0,0,0,0|2,0,0]=4 10533 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [0,2,0,0,0,0|1,0,0]=3 10534 B10R0.74 C=CCCOCCC(C)OC 7a_100000764861_100000754431 [0,2,0,0,0,0|2,0,0]=4 10535 B10R0.74 C=CCNCCCN(C)CC 2230a_100020586998_100015186262 [0,2,0,0,0,0|2,0,0]=4 10536 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,2,0,0,0,0|1,0,0]=3 10537 B10R0.74 C=CCOCCC[C@@H](C)CN 34a_100160569302_100015514636 [0,2,0,0,0,0|2,0,0]=4 10538 B10R0.74 C=CCOCCOC(C)CC 34a_100000037705_100011215416 [0,2,0,0,0,0|2,0,0]=4 10539 B10R0.74 C=CCOCCOC(C)CC 7a_100000037705_100000758301 [0,2,0,0,0,0|2,0,0]=4 10540 B10R0.74 C=CCSCCCN(C)CC 62a_100000210623_100015186262 [0,2,0,0,0,0|2,0,0]=4 10541 B10R0.74 C=COCCCNC(C)CC 2230a_100000210767_100000758301 [0,2,0,0,0,0|2,0,0]=4 10542 B10R0.74 C=COCCCNC(C)CC 34a_100000210767_100011215416 [0,2,0,0,0,0|2,0,0]=4 10543 B10R0.74 C=COCCNCC(C)CC 2230a_100020588543_100000039644 [0,2,0,0,0,0|2,0,0]=4 10544 B10R0.74 C=COCCNCC(O)CC 2230a_100011218483_100000039644 [0,2,0,0,0,0|2,0,0]=4 10545 B10R0.74 C=COCCOCC(C)CC 34a_100000033082_100000748023 [0,2,0,0,0,0|2,0,0]=4 10546 B10R0.74 C=COCCOCC(O)CC 34a_100000033082_100011218378 [0,2,0,0,0,0|2,0,0]=4 10547 B10R0.74 C=COCCOC[C@@H](C)CC 34a_100000033082_100009816398 [0,2,0,0,0,0|2,0,0]=4 10548 B10R0.74 C=COCCOC[C@@H](C)CC 7a_100009816381_100000039644 [0,2,0,0,0,0|2,0,0]=4 10549 B10R0.74 C=COCCSCC(C)CC 62a_100000039644_100000748023 [0,2,0,0,0,0|2,0,0]=4 10550 B10R0.74 C=COCCSCC(C)CC 62a_100000748023_100000039644 [0,2,0,0,0,0|2,0,0]=4 10551 B10R0.74 C=COCCSCC(O)CC 62a_100000039644_100011218378 [0,2,0,0,0,0|2,0,0]=4 10552 B10R0.74 C=COCCSCC(O)CC 62a_100011218378_100000039644 [0,2,0,0,0,0|2,0,0]=4 10553 B10R0.74 C=COCCSC[C@@H](C)CC 62a_100000039644_100009816398 [0,2,0,0,0,0|2,0,0]=4 10554 B10R0.74 C=COCCSC[C@@H](C)CC 62a_100009816398_100000039644 [0,2,0,0,0,0|2,0,0]=4 10555 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|1,0,0]=3 10556 B10R0.74 C=C[C@H](N)COCCCCF 34a_100016989147_100000729493 [0,2,0,0,0,0|2,0,0]=4 10557 B10R0.74 C=C[C@H](N)COCCCCO 34a_100016989147_100011216708 [0,2,0,0,0,0|2,0,0]=4 10558 B10R0.74 C=C[C@H](N)COCCCOC 34a_100016989147_100000740836 [0,2,0,0,0,0|2,0,0]=4 10559 B10R0.74 C=C[C@H](N)COCCOCC 34a_100016989147_100000210147 [0,2,0,0,0,0|2,0,0]=4 10560 B10R0.74 C=C[C@H](N)COCCSCC 34a_100016989147_100000757381 [0,2,0,0,0,0|2,0,0]=4 10561 B10R0.74 CC(C#N)NCCCCC=O 2230a_100000737613_100000139335 [0,2,0,0,0,0|1,0,0]=3 10562 B10R0.74 CC(C#N)SCCCCC=O 62a_100000139335_100000703298 [0,2,0,0,0,0|1,0,0]=3 10563 B10R0.74 CC(C#N)SCCCCC=O 62a_100000703298_100000139335 [0,2,0,0,0,0|1,0,0]=3 10564 B10R0.74 CC(CF)OCCCCC=O 7a_100016041109_100000139335 [0,2,0,0,0,0|1,0,0]=3 10565 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [0,2,0,0,0,0|1,0,0]=3 10566 B10R0.74 CC=CCCCOC(C)CC 34a_100020645299_100011215416 [0,2,0,0,0,0|1,0,1]=4 10567 B10R0.74 CC=CCNCCC(C)CC 2230a_100020591266_100000070051 [0,2,0,0,0,0|1,0,1]=4 10568 B10R0.74 CC=CCOCCC(C)CC 7a_100011215188_100000070051 [0,2,0,0,0,0|1,0,1]=4 10569 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,2,0,0,0,0|1,0,1]=4 10570 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|1,0,0]=3 10571 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|1,0,0]=3 10572 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|1,0,0]=3 10573 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|1,0,0]=3 10574 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|2,0,0]=4 10575 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|2,0,0]=4 10576 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|2,0,0]=4 10577 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|2,0,0]=4 10578 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|2,0,0]=4 10579 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|2,0,0]=4 10580 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|2,0,0]=4 10581 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|2,0,0]=4 10582 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,2,0,0,0,0|0,0,1]=3 10583 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,2,0,0,0,0|0,0,1]=3 10584 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|2,0,0]=4 10585 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|2,0,0]=4 10586 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|2,0,0]=4 10587 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|2,0,0]=4 10588 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|2,0,0]=4 10589 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|2,0,0]=4 10590 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|2,0,0]=4 10591 B10R0.74 CCC(=O)NCCNCC=O 34a_100132302217_200009817547 [0,2,0,0,0,0|1,0,1]=4 10592 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,2,0,0,0,0|1,0,1]=4 10593 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,2,0,0,0,0|1,0,1]=4 10594 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,2,0,0,0,0|1,0,1]=4 10595 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,2,0,0,0,0|0,0,2]=4 10596 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,2,0,0,0,0|0,0,2]=4 10597 B10R0.74 CCC(C)CCCOCC#N 7a_100011216074_100011215382 [0,2,0,0,0,0|1,0,1]=4 10598 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [0,2,0,0,0,0|0,0,0]=2 10599 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,2,0,0,0,0|1,0,1]=4 10600 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,2,0,0,0,0|0,0,2]=4 10601 B10R0.74 CCC(C)CCNCCC#N 2230a_100020591266_100011215226 [0,2,0,0,0,0|1,0,1]=4 10602 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,2,0,0,0,0|1,0,1]=4 10603 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,2,0,0,0,0|0,0,2]=4 10604 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,2,0,0,0,0|2,0,0]=4 10605 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,2,0,0,0,0|2,0,0]=4 10606 B10R0.74 CCC(C)CCOCCC#N 7a_100011215188_100000184422 [0,2,0,0,0,0|1,0,1]=4 10607 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,2,0,0,0,0|1,0,1]=4 10608 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,2,0,0,0,0|0,0,2]=4 10609 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,2,0,0,0,0|2,0,0]=4 10610 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,2,0,0,0,0|2,0,0]=4 10611 B10R0.74 CCC(C)CNCCCC#N 2230a_100020588543_100000687738 [0,2,0,0,0,0|1,0,1]=4 10612 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,2,0,0,0,0|0,0,0]=2 10613 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,2,0,0,0,0|1,0,1]=4 10614 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,2,0,0,0,0|0,0,2]=4 10615 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,2,0,0,0,0|0,0,2]=4 10616 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,2,0,0,0,0|0,0,2]=4 10617 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,2,0,0,0,0|0,0,2]=4 10618 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,2,0,0,0,0|2,0,0]=4 10619 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,2,0,0,0,0|2,0,0]=4 10620 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,2,0,0,0,0|2,0,0]=4 10621 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,2,0,0,0,0|2,0,0]=4 10622 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,2,0,0,0,0|2,0,0]=4 10623 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,2,0,0,0,0|1,0,1]=4 10624 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,2,0,0,0,0|1,0,1]=4 10625 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,2,0,0,0,0|1,0,1]=4 10626 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,2,0,0,0,0|1,0,1]=4 10627 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,2,0,0,0,0|1,0,1]=4 10628 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,2,0,0,0,0|1,0,1]=4 10629 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,2,0,0,0,0|1,0,1]=4 10630 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,2,0,0,0,0|2,0,0]=4 10631 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,2,0,0,0,0|2,0,0]=4 10632 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,2,0,0,0,0|2,0,0]=4 10633 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,2,0,0,0,0|2,0,0]=4 10634 B10R0.74 CCC(C)CSCCCC#N 62a_100000687738_100000748023 [0,2,0,0,0,0|1,0,1]=4 10635 B10R0.74 CCC(C)CSCCCC#N 62a_100000748023_100000687738 [0,2,0,0,0,0|1,0,1]=4 10636 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,2,0,0,0,0|0,0,0]=2 10637 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,2,0,0,0,0|0,0,0]=2 10638 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,2,0,0,0,0|1,0,1]=4 10639 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,2,0,0,0,0|1,0,1]=4 10640 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,2,0,0,0,0|0,0,2]=4 10641 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,2,0,0,0,0|0,0,2]=4 10642 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,2,0,0,0,0|2,0,0]=4 10643 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,2,0,0,0,0|2,0,0]=4 10644 B10R0.74 CCC(C)NCCCCC#N 2230a_100000209981_100000211819 [0,2,0,0,0,0|1,0,1]=4 10645 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [0,2,0,0,0,0|0,0,0]=2 10646 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,2,0,0,0,0|1,0,1]=4 10647 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,2,0,0,0,0|0,0,2]=4 10648 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,2,0,0,0,0|0,0,2]=4 10649 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,2,0,0,0,0|0,0,2]=4 10650 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,2,0,0,0,0|2,0,0]=4 10651 B10R0.74 CCC(C)OCCCCC#N 7a_100000210228_100000211819 [0,2,0,0,0,0|1,0,1]=4 10652 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [0,2,0,0,0,0|0,0,0]=2 10653 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,2,0,0,0,0|1,0,1]=4 10654 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,2,0,0,0,0|1,0,1]=4 10655 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,2,0,0,0,0|1,0,1]=4 10656 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,2,0,0,0,0|1,0,1]=4 10657 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,2,0,0,0,0|1,0,1]=4 10658 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,2,0,0,0,0|1,0,1]=4 10659 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,2,0,0,0,0|1,0,1]=4 10660 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,2,0,0,0,0|1,0,1]=4 10661 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,2,0,0,0,0|0,0,2]=4 10662 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,2,0,0,0,0|2,0,0]=4 10663 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,2,0,0,0,0|2,0,0]=4 10664 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,2,0,0,0,0|2,0,0]=4 10665 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,2,0,0,0,0|2,0,0]=4 10666 B10R0.74 CCC(C)SCCCCC#N 62a_100000758301_100000211819 [0,2,0,0,0,0|1,0,1]=4 10667 B10R0.74 CCC(C)SCCCCC#N 62a_100011219923_100000758301 [0,2,0,0,0,0|1,0,1]=4 10668 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [0,2,0,0,0,0|0,0,0]=2 10669 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [0,2,0,0,0,0|0,0,0]=2 10670 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,2,0,0,0,0|1,0,1]=4 10671 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,2,0,0,0,0|1,0,1]=4 10672 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,2,0,0,0,0|0,0,2]=4 10673 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,2,0,0,0,0|0,0,2]=4 10674 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,2,0,0,0,0|2,0,0]=4 10675 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,2,0,0,0,0|2,0,0]=4 10676 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,2,0,0,0,0|1,0,1]=4 10677 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,2,0,0,0,0|0,0,0]=2 10678 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,2,0,0,0,0|1,0,1]=4 10679 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,2,0,0,0,0|0,0,2]=4 10680 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,2,0,0,0,0|0,0,2]=4 10681 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,2,0,0,0,0|0,0,2]=4 10682 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,2,0,0,0,0|2,0,0]=4 10683 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,2,0,0,0,0|2,0,0]=4 10684 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,2,0,0,0,0|2,0,0]=4 10685 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,2,0,0,0,0|1,0,1]=4 10686 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,2,0,0,0,0|1,0,1]=4 10687 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,2,0,0,0,0|1,0,1]=4 10688 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,2,0,0,0,0|1,0,1]=4 10689 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,2,0,0,0,0|1,0,1]=4 10690 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,2,0,0,0,0|1,0,1]=4 10691 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,2,0,0,0,0|1,0,1]=4 10692 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,2,0,0,0,0|2,0,0]=4 10693 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,2,0,0,0,0|2,0,0]=4 10694 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,2,0,0,0,0|2,0,0]=4 10695 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,2,0,0,0,0|2,0,0]=4 10696 B10R0.74 CCC(O)CSCCCC#N 62a_100000687738_100011218378 [0,2,0,0,0,0|1,0,1]=4 10697 B10R0.74 CCC(O)CSCCCC#N 62a_100011218378_100000687738 [0,2,0,0,0,0|1,0,1]=4 10698 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,2,0,0,0,0|0,0,0]=2 10699 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,2,0,0,0,0|0,0,0]=2 10700 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,2,0,0,0,0|1,0,1]=4 10701 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,2,0,0,0,0|1,0,1]=4 10702 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,2,0,0,0,0|0,0,2]=4 10703 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,2,0,0,0,0|0,0,2]=4 10704 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,2,0,0,0,0|2,0,0]=4 10705 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,2,0,0,0,0|2,0,0]=4 10706 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|0,0,2]=4 10707 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,2,0,0,0,0|0,0,2]=4 10708 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,2,0,0,0,0|0,0,2]=4 10709 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,2,0,0,0,0|0,0,2]=4 10710 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,2,0,0,0,0|0,0,2]=4 10711 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,2,0,0,0,0|0,0,2]=4 10712 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|0,0,2]=4 10713 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,2,0,0,0,0|0,0,2]=4 10714 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,2,0,0,0,0|0,0,2]=4 10715 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|0,0,2]=4 10716 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|0,0,2]=4 10717 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|0,0,2]=4 10718 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|0,0,2]=4 10719 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|0,0,2]=4 10720 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|0,0,0]=2 10721 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|0,0,0]=2 10722 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|0,0,0]=2 10723 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|0,0,0]=2 10724 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|0,0,0]=2 10725 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|0,0,0]=2 10726 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|0,0,0]=2 10727 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|0,0,0]=2 10728 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,2,0,0,0,0|1,0,1]=4 10729 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,2,0,0,0,0|1,0,1]=4 10730 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,2,0,0,0,0|1,0,1]=4 10731 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,2,0,0,0,0|1,0,1]=4 10732 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,2,0,0,0,0|0,0,2]=4 10733 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,2,0,0,0,0|0,0,2]=4 10734 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,2,0,0,0,0|0,0,2]=4 10735 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,2,0,0,0,0|0,0,2]=4 10736 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,2,0,0,0,0|0,0,2]=4 10737 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,2,0,0,0,0|0,1,1]=4 10738 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,2,0,0,0,0|0,1,1]=4 10739 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,2,0,0,0,0|0,1,1]=4 10740 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,2,0,0,0,0|0,1,1]=4 10741 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,2,0,0,0,0|1,0,1]=4 10742 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,2,0,0,0,0|1,0,1]=4 10743 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,2,0,0,0,0|1,0,1]=4 10744 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,2,0,0,0,0|1,0,1]=4 10745 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,2,0,0,0,0|1,0,1]=4 10746 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,2,0,0,0,0|1,0,1]=4 10747 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,2,0,0,0,0|1,0,1]=4 10748 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,2,0,0,0,0|1,0,1]=4 10749 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,2,0,0,0,0|1,0,1]=4 10750 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 10751 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 10752 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 10753 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 10754 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|1,0,0]=3 10755 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|1,0,0]=3 10756 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|1,0,0]=3 10757 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|1,0,0]=3 10758 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|1,0,0]=3 10759 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|1,0,0]=3 10760 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|1,0,0]=3 10761 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|1,0,0]=3 10762 B10R0.74 CCCCCCNC(C)C#N 2230a_100000210581_100000184139 [0,2,0,0,0,0|1,0,1]=4 10763 B10R0.74 CCCCCCNC(C)C#N 2230a_100000737613_100000210314 [0,2,0,0,0,0|1,0,1]=4 10764 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,2,0,0,0,0|1,0,1]=4 10765 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,2,0,0,0,0|1,0,1]=4 10766 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,2,0,0,0,0|0,0,2]=4 10767 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,2,0,0,0,0|0,0,2]=4 10768 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,2,0,0,0,0|1,0,1]=4 10769 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,2,0,0,0,0|1,0,1]=4 10770 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,2,0,0,0,0|1,0,1]=4 10771 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,2,0,0,0,0|1,0,1]=4 10772 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,2,0,0,0,0|1,0,1]=4 10773 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,2,0,0,0,0|1,0,1]=4 10774 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,2,0,0,0,0|1,0,1]=4 10775 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,2,0,0,0,0|1,0,1]=4 10776 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,2,0,0,0,0|0,0,2]=4 10777 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,2,0,0,0,0|0,0,2]=4 10778 B10R0.74 CCCCCCSC(C)C#N 62a_100000210314_100000703298 [0,2,0,0,0,0|1,0,1]=4 10779 B10R0.74 CCCCCCSC(C)C#N 62a_100000703298_100000210757 [0,2,0,0,0,0|1,0,1]=4 10780 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,2,0,0,0,0|1,0,1]=4 10781 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,2,0,0,0,0|1,0,1]=4 10782 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,2,0,0,0,0|0,0,2]=4 10783 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,2,0,0,0,0|2,0,0]=4 10784 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,2,0,0,0,0|2,0,0]=4 10785 B10R0.74 CCCCCCSC(F)C#N 62a_100000210314_200000117898 [0,2,0,0,0,0|1,0,1]=4 10786 B10R0.74 CCCCCCSC(F)C#N 62a_200000117898_100000210757 [0,2,0,0,0,0|1,0,1]=4 10787 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,2,0,0,0,0|0,0,2]=4 10788 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,2,0,0,0,0|0,0,2]=4 10789 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|1,0,0]=3 10790 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|1,0,0]=3 10791 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|1,0,0]=3 10792 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,2,0,0,0,0|1,0,1]=4 10793 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,2,0,0,0,0|1,0,1]=4 10794 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,2,0,0,0,0|1,0,1]=4 10795 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,2,0,0,0,0|0,0,2]=4 10796 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,2,0,0,0,0|1,0,1]=4 10797 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,2,0,0,0,0|1,0,1]=4 10798 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,2,0,0,0,0|0,0,2]=4 10799 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,2,0,0,0,0|1,0,1]=4 10800 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,2,0,0,0,0|0,0,2]=4 10801 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,2,0,0,0,0|2,0,0]=4 10802 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,2,0,0,0,0|0,0,2]=4 10803 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,2,0,0,0,0|1,0,1]=4 10804 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,2,0,0,0,0|0,0,2]=4 10805 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,2,0,0,0,0|0,0,2]=4 10806 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|2,0,0]=4 10807 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|2,0,0]=4 10808 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,2,0,0,0,0|2,0,0]=4 10809 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,2,0,0,0,0|2,0,0]=4 10810 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,2,0,0,0,0|2,0,0]=4 10811 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|1,0,0]=3 10812 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|1,0,0]=3 10813 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|1,0,0]=3 10814 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|1,0,0]=3 10815 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|1,0,0]=3 10816 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|1,0,0]=3 10817 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|1,0,0]=3 10818 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,2,0,0,0,0|1,0,1]=4 10819 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,2,0,0,0,0|1,0,1]=4 10820 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,2,0,0,0,0|1,0,1]=4 10821 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,2,0,0,0,0|2,0,0]=4 10822 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,2,0,0,0,0|1,0,1]=4 10823 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,2,0,0,0,0|1,0,1]=4 10824 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,2,0,0,0,0|1,0,1]=4 10825 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,2,0,0,0,0|0,0,2]=4 10826 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,2,0,0,0,0|0,0,2]=4 10827 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,2,0,0,0,0|1,0,1]=4 10828 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,2,0,0,0,0|1,0,1]=4 10829 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,2,0,0,0,0|1,0,1]=4 10830 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,2,0,0,0,0|0,0,2]=4 10831 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,2,0,0,0,0|0,0,2]=4 10832 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,2,0,0,0,0|1,0,1]=4 10833 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,2,0,0,0,0|1,0,1]=4 10834 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,2,0,0,0,0|0,0,2]=4 10835 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,2,0,0,0,0|0,0,2]=4 10836 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,2,0,0,0,0|1,0,1]=4 10837 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|1,0,0]=3 10838 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|1,0,0]=3 10839 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|1,0,0]=3 10840 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|1,0,0]=3 10841 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|1,0,0]=3 10842 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|1,0,0]=3 10843 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,2,0,0,0,0|1,0,1]=4 10844 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,2,0,0,0,0|1,0,1]=4 10845 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,2,0,0,0,0|1,0,1]=4 10846 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,2,0,0,0,0|1,0,1]=4 10847 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,2,0,0,0,0|0,0,2]=4 10848 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,2,0,0,0,0|0,0,2]=4 10849 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,2,0,0,0,0|1,0,1]=4 10850 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,2,0,0,0,0|1,0,1]=4 10851 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,2,0,0,0,0|0,0,2]=4 10852 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,2,0,0,0,0|0,0,2]=4 10853 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,2,0,0,0,0|1,0,1]=4 10854 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,2,0,0,0,0|1,0,1]=4 10855 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,2,0,0,0,0|0,0,2]=4 10856 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,2,0,0,0,0|0,0,2]=4 10857 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|1,0,0]=3 10858 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|1,0,0]=3 10859 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|1,0,0]=3 10860 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|1,0,0]=3 10861 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|1,0,0]=3 10862 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|1,0,0]=3 10863 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,2,0,0,0,0|1,0,1]=4 10864 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,2,0,0,0,0|0,0,2]=4 10865 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,2,0,0,0,0|0,0,2]=4 10866 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,2,0,0,0,0|1,0,1]=4 10867 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|1,0,0]=3 10868 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|1,0,0]=3 10869 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|1,0,0]=3 10870 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|1,0,0]=3 10871 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|1,0,0]=3 10872 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|1,0,0]=3 10873 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|1,0,0]=3 10874 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,2,0,0,0,0|1,0,1]=4 10875 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,2,0,0,0,0|2,0,0]=4 10876 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|1,0,0]=3 10877 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|1,0,0]=3 10878 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|1,0,0]=3 10879 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|1,0,0]=3 10880 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|2,0,0]=4 10881 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|1,0,0]=3 10882 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|1,0,0]=3 10883 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|2,0,0]=4 10884 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,2,0,0,0,0|2,0,0]=4 10885 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|1,0,0]=3 10886 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,2,0,0,0,0|1,0,0]=3 10887 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|1,0,0]=3 10888 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,2,0,0,0,0|1,0,1]=4 10889 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,2,0,0,0,0|1,0,1]=4 10890 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 10891 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 10892 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 10893 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 10894 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 10895 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|2,0,0]=4 10896 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|2,0,0]=4 10897 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,2,0,0,0,0|2,0,0]=4 10898 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,2,0,0,0,0|2,0,0]=4 10899 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,2,0,0,0,0|2,0,0]=4 10900 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,2,0,0,0,0|2,0,0]=4 10901 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,2,0,0,0,0|2,0,0]=4 10902 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,2,0,0,0,0|2,0,0]=4 10903 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|2,0,0]=4 10904 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|2,0,0]=4 10905 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|2,0,0]=4 10906 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|2,0,0]=4 10907 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|1,0,0]=3 10908 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|1,0,0]=3 10909 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|1,0,0]=3 10910 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|1,0,0]=3 10911 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 10912 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 10913 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 10914 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|2,0,0]=4 10915 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|2,0,0]=4 10916 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,2,0,0,0,0|2,0,0]=4 10917 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,2,0,0,0,0|2,0,0]=4 10918 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,2,0,0,0,0|2,0,0]=4 10919 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,2,0,0,0,0|2,0,0]=4 10920 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,2,0,0,0,0|2,0,0]=4 10921 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,2,0,0,0,0|2,0,0]=4 10922 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|2,0,0]=4 10923 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|2,0,0]=4 10924 B10R0.74 CCN(C)CCCCCC#N 2230a_100000225621_100009813376 [0,2,0,0,0,0|1,0,1]=4 10925 B10R0.74 CCN(C)CCCCCC#N 269982a_100000225621_100009813376 [0,2,0,0,0,0|1,0,1]=4 10926 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,2,0,0,0,0|0,0,0]=2 10927 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,2,0,0,0,0|0,0,0]=2 10928 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,2,0,0,0,0|1,0,1]=4 10929 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,2,0,0,0,0|1,0,1]=4 10930 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,2,0,0,0,0|0,0,2]=4 10931 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,2,0,0,0,0|0,0,2]=4 10932 B10R0.74 CCN(C)CCCSCC=O 62a_200015260668_100015186262 [0,2,0,0,0,0|1,0,0]=3 10933 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|1,0,0]=3 10934 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|2,0,0]=4 10935 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|1,0,0]=3 10936 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|1,0,0]=3 10937 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|1,0,0]=3 10938 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 10939 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 10940 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 10941 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 10942 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|2,0,0]=4 10943 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|2,0,0]=4 10944 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,2,0,0,0,0|2,0,0]=4 10945 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,2,0,0,0,0|2,0,0]=4 10946 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,2,0,0,0,0|2,0,0]=4 10947 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,2,0,0,0,0|2,0,0]=4 10948 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,2,0,0,0,0|2,0,0]=4 10949 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,2,0,0,0,0|2,0,0]=4 10950 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,2,0,0,0,0|2,0,0]=4 10951 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,2,0,0,0,0|2,0,0]=4 10952 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,2,0,0,0,0|2,0,0]=4 10953 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|2,0,0]=4 10954 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|2,0,0]=4 10955 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|2,0,0]=4 10956 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|2,0,0]=4 10957 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,2,0,0,0,0|2,0,0]=4 10958 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,2,0,0,0,0|2,0,0]=4 10959 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,2,0,0,0,0|2,0,0]=4 10960 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|2,0,0]=4 10961 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|2,0,0]=4 10962 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|2,0,0]=4 10963 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,2,0,0,0,0|2,0,0]=4 10964 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,2,0,0,0,0|2,0,0]=4 10965 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,2,0,0,0,0|2,0,0]=4 10966 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,2,0,0,0,0|2,0,0]=4 10967 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|2,0,0]=4 10968 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|2,0,0]=4 10969 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,2,0,0,0,0|2,0,0]=4 10970 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,2,0,0,0,0|2,0,0]=4 10971 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,2,0,0,0,0|2,0,0]=4 10972 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,2,0,0,0,0|2,0,0]=4 10973 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|1,0,0]=3 10974 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|1,0,0]=3 10975 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,2,0,0,0,0|2,0,0]=4 10976 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,2,0,0,0,0|2,0,0]=4 10977 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|2,0,0]=4 10978 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,2,0,0,0,0|2,0,0]=4 10979 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,2,0,0,0,0|2,0,0]=4 10980 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,2,0,0,0,0|2,0,0]=4 10981 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,2,0,0,0,0|2,0,0]=4 10982 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,2,0,0,0,0|2,0,0]=4 10983 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|2,0,0]=4 10984 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|2,0,0]=4 10985 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|2,0,0]=4 10986 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|2,0,0]=4 10987 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,2,0,0,0,0|2,0,0]=4 10988 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,2,0,0,0,0|2,0,0]=4 10989 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,2,0,0,0,0|2,0,0]=4 10990 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,2,0,0,0,0|2,0,0]=4 10991 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|2,0,0]=4 10992 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|2,0,0]=4 10993 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,2,0,0,0,0|0,0,2]=4 10994 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,2,0,0,0,0|0,0,2]=4 10995 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,2,0,0,0,0|2,0,0]=4 10996 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,2,0,0,0,0|2,0,0]=4 10997 B10R0.74 CC[C@H](C)COCCCC#N 7a_100009816381_100000687738 [0,2,0,0,0,0|1,0,1]=4 10998 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,2,0,0,0,0|0,0,0]=2 10999 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,2,0,0,0,0|1,0,1]=4 11000 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,2,0,0,0,0|1,0,1]=4 11001 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,2,0,0,0,0|1,0,1]=4 11002 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,2,0,0,0,0|1,0,1]=4 11003 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,2,0,0,0,0|1,0,1]=4 11004 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,2,0,0,0,0|1,0,1]=4 11005 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,2,0,0,0,0|1,0,1]=4 11006 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,2,0,0,0,0|1,0,1]=4 11007 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,2,0,0,0,0|0,0,2]=4 11008 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,2,0,0,0,0|2,0,0]=4 11009 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,2,0,0,0,0|2,0,0]=4 11010 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,2,0,0,0,0|2,0,0]=4 11011 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,2,0,0,0,0|2,0,0]=4 11012 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,2,0,0,0,0|2,0,0]=4 11013 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100000687738_100009816398 [0,2,0,0,0,0|1,0,1]=4 11014 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100009816398_100000687738 [0,2,0,0,0,0|1,0,1]=4 11015 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,2,0,0,0,0|0,0,0]=2 11016 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,2,0,0,0,0|0,0,0]=2 11017 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,2,0,0,0,0|1,0,1]=4 11018 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,2,0,0,0,0|1,0,1]=4 11019 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,2,0,0,0,0|0,0,2]=4 11020 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,2,0,0,0,0|0,0,2]=4 11021 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,2,0,0,0,0|2,0,0]=4 11022 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,2,0,0,0,0|2,0,0]=4 11023 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|1,0,0]=3 11024 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|1,0,0]=3 11025 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 11026 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 11027 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 11028 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,2,0,0,0,0|1,0,1]=4 11029 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,2,0,0,0,0|1,0,1]=4 11030 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,2,0,0,0,0|2,0,0]=4 11031 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,2,0,0,0,0|2,0,0]=4 11032 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,2,0,0,0,0|2,0,0]=4 11033 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,2,0,0,0,0|2,0,0]=4 11034 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,2,0,0,0,0|2,0,0]=4 11035 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,2,0,0,0,0|2,0,0]=4 11036 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,2,0,0,0,0|2,0,0]=4 11037 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,2,0,0,0,0|2,0,0]=4 11038 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,2,0,0,0,0|2,0,0]=4 11039 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,2,0,0,0,0|2,0,0]=4 11040 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,2,0,0,0,0|2,0,0]=4 11041 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,2,0,0,0,0|2,0,0]=4 11042 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,2,0,0,0,0|1,0,1]=4 11043 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,2,0,0,0,0|1,0,1]=4 11044 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,2,0,0,0,0|2,0,0]=4 11045 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,2,0,0,0,0|2,0,0]=4 11046 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,2,0,0,0,0|2,0,0]=4 11047 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,2,0,0,0,0|2,0,0]=4 11048 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,2,0,0,0,0|2,0,0]=4 11049 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,2,0,0,0,0|2,0,0]=4 11050 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,2,0,0,0,0|2,0,0]=4 11051 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,2,0,0,0,0|2,0,0]=4 11052 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,2,0,0,0,0|2,0,0]=4 11053 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,2,0,0,0,0|2,0,0]=4 11054 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,2,0,0,0,0|2,0,0]=4 11055 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,2,0,0,0,0|2,0,0]=4 11056 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,2,0,0,0,0|2,0,0]=4 11057 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,2,0,0,0,0|2,0,0]=4 11058 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,2,0,0,0,0|2,0,0]=4 11059 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,2,0,0,0,0|2,0,0]=4 11060 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,2,0,0,0,0|2,0,0]=4 11061 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,2,0,0,0,0|2,0,0]=4 11062 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,2,0,0,0,0|2,0,0]=4 11063 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,2,0,0,0,0|2,0,0]=4 11064 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,2,0,0,0,0|2,0,0]=4 11065 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,2,0,0,0,0|2,0,0]=4 11066 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,2,0,0,0,0|2,0,0]=4 11067 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,2,0,0,0,0|2,0,0]=4 11068 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,2,0,0,0,0|2,0,0]=4 11069 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,2,0,0,0,0|2,0,0]=4 11070 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,2,0,0,0,0|2,0,0]=4 11071 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,2,0,0,0,0|2,0,0]=4 11072 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,2,0,0,0,0|2,0,0]=4 11073 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,2,0,0,0,0|2,0,0]=4 11074 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,2,0,0,0,0|2,0,0]=4 11075 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,2,0,0,0,0|2,0,0]=4 11076 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,2,0,0,0,0|2,0,0]=4 11077 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,2,0,0,0,0|2,0,0]=4 11078 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,2,0,0,0,0|2,0,0]=4 11079 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,2,0,0,0,0|2,0,0]=4 11080 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,2,0,0,0,0|2,0,0]=4 11081 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,2,0,0,0,0|2,0,0]=4 11082 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,2,0,0,0,0|2,0,0]=4 11083 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,2,0,0,0,0|2,0,0]=4 11084 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,2,0,0,0,0|2,0,0]=4 11085 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,2,0,0,0,0|2,0,0]=4 11086 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,2,0,0,0,0|2,0,0]=4 11087 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,2,0,0,0,0|1,0,1]=4 11088 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,2,0,0,0,0|2,0,0]=4 11089 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,2,0,0,0,0|2,0,0]=4 11090 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 11091 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 11092 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,2,0,0,0,0|2,0,0]=4 11093 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,2,0,0,0,0|2,0,0]=4 11094 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,2,0,0,0,0|2,0,0]=4 11095 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|2,0,0]=4 11096 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 11097 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 11098 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|2,0,0]=4 11099 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|2,0,0]=4 11100 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|2,0,0]=4 11101 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|2,0,0]=4 11102 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 11103 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|2,0,0]=4 11104 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|2,0,0]=4 11105 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|2,0,0]=4 11106 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,2,0,0,0,0|2,0,0]=4 11107 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,2,0,0,0,0|2,0,0]=4 11108 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,2,0,0,0,0|1,0,1]=4 11109 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,2,0,0,0,0|1,0,1]=4 11110 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,2,0,0,0,0|2,0,0]=4 11111 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,2,0,0,0,0|2,0,0]=4 11112 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,2,0,0,0,0|2,0,0]=4 11113 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 11114 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,2,0,0,0,0|2,0,0]=4 11115 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,2,0,0,0,0|2,0,0]=4 11116 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 11117 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 11118 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 11119 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 11120 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|2,0,0]=4 11121 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|1,0,0]=3 11122 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|1,0,0]=3 11123 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|1,0,0]=3 11124 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|2,0,0]=4 11125 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 11126 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|1,0,0]=3 11127 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|1,0,0]=3 11128 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|1,0,0]=3 11129 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|1,0,0]=3 11130 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|1,0,0]=3 11131 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|1,0,0]=3 11132 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|2,0,0]=4 11133 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|2,0,0]=4 11134 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,2,0,0,0,0|2,0,0]=4 11135 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,2,0,0,0,0|2,0,0]=4 11136 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,2,0,0,0,0|2,0,0]=4 11137 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,2,0,0,0,0|2,0,0]=4 11138 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,2,0,0,0,0|2,0,0]=4 11139 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,2,0,0,0,0|2,0,0]=4 11140 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,2,0,0,0,0|2,0,0]=4 11141 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,2,0,0,0,0|1,0,1]=4 11142 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,2,0,0,0,0|1,0,1]=4 11143 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,2,0,0,0,0|2,0,0]=4 11144 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,2,0,0,0,0|2,0,0]=4 11145 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,2,0,0,0,0|2,0,0]=4 11146 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,2,0,0,0,0|2,0,0]=4 11147 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,2,0,0,0,0|2,0,0]=4 11148 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,2,0,0,0,0|2,0,0]=4 11149 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,2,0,0,0,0|2,0,0]=4 11150 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,2,0,0,0,0|2,0,0]=4 11151 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|2,0,0]=4 11152 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,2,0,0,0,0|2,0,0]=4 11153 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,2,0,0,0,0|2,0,0]=4 11154 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,2,0,0,0,0|2,0,0]=4 11155 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,2,0,0,0,0|2,0,0]=4 11156 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|2,0,0]=4 11157 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|2,0,0]=4 11158 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,2,0,0,0,0|2,0,0]=4 11159 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,2,0,0,0,0|2,0,0]=4 11160 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,2,0,0,0,0|2,0,0]=4 11161 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,2,0,0,0,0|2,0,0]=4 11162 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|2,0,0]=4 11163 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|2,0,0]=4 11164 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|2,0,0]=4 11165 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|2,0,0]=4 11166 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|2,0,0]=4 11167 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|2,0,0]=4 11168 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|2,0,0]=4 11169 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|2,0,0]=4 11170 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|2,0,0]=4 11171 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|2,0,0]=4 11172 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|2,0,0]=4 11173 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|2,0,0]=4 11174 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|2,0,0]=4 11175 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|2,0,0]=4 11176 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,2,0,0,0,0|1,0,1]=4 11177 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,2,0,0,0,0|1,0,1]=4 11178 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,2,0,0,0,0|2,0,0]=4 11179 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,2,0,0,0,0|2,0,0]=4 11180 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|2,0,0]=4 11181 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|2,0,0]=4 11182 B10R0.74 COC(C)SCCCCC=O 62a_100000139335_100009879195 [0,2,0,0,0,0|1,0,0]=3 11183 B10R0.74 COC(C)SCCCCC=O 62a_100009879195_100000139335 [0,2,0,0,0,0|1,0,0]=3 11184 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|1,0,0]=3 11185 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|1,0,0]=3 11186 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|1,0,0]=3 11187 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|1,0,0]=3 11188 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|2,0,0]=4 11189 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|2,0,0]=4 11190 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|2,0,0]=4 11191 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|2,0,0]=4 11192 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|2,0,0]=4 11193 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,2,0,0,0,0|2,0,0]=4 11194 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|2,0,0]=4 11195 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|2,0,0]=4 11196 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|2,0,0]=4 11197 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|2,0,0]=4 11198 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|2,0,0]=4 11199 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|2,0,0]=4 11200 B10R0.74 CO[C@H](C)CNCCCC=O 2230a_100020591295_200011292268 [0,2,0,0,0,0|1,0,0]=3 11201 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,2,0,0,0,0|2,0,0]=4 11202 B10R0.74 C[C@@H](CN)CCCOCC=O 34a_100160569302_200009817547 [0,2,0,0,0,0|1,0,0]=3 11203 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_100000059175_200011292268 [0,2,0,0,0,0|1,0,0]=3 11204 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_200011292268_100000059175 [0,2,0,0,0,0|1,0,0]=3 11205 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [0,2,0,0,0,0|1,0,0]=3 11206 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [0,2,0,0,0,0|1,0,0]=3 11207 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [0,2,0,0,0,0|1,0,0]=3 11208 B10R0.74 N#CC(F)SCCCCC=O 62a_100000139335_200000117898 [0,2,0,0,0,0|1,0,1]=4 11209 B10R0.74 N#CC(F)SCCCCC=O 62a_200000117898_100000139335 [0,2,0,0,0,0|1,0,1]=4 11210 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,2,0,0,0,0|1,0,1]=4 11211 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,2,0,0,0,0|2,0,0]=4 11212 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,2,0,0,0,0|2,0,0]=4 11213 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|1,0,0]=3 11214 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|1,0,0]=3 11215 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|1,0,0]=3 11216 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|2,0,0]=4 11217 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,2,0,0,0,0|1,0,0]=3 11218 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,2,0,0,0,0|1,0,0]=3 11219 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,2,0,0,0,0|1,0,0]=3 11220 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_100015614560_200011292268 [0,2,0,0,0,0|1,0,0]=3 11221 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_200011292268_100015614560 [0,2,0,0,0,0|1,0,0]=3 11222 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,2,0,0,0,0|1,0,0]=3 11223 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,2,0,0,0,0|1,0,0]=3 11224 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|1,0,1]=4 11225 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,2,0,0,0,0|2,0,0]=4 11226 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [0,2,0,0,0,0|1,0,1]=4 11227 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [0,2,0,0,0,0|1,0,1]=4 11228 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [0,2,0,0,0,0|1,0,1]=4 11229 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|1,0,1]=4 11230 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|1,0,1]=4 11231 B10R0.75 C=CCCCCN(C)C(C)C 2230a_100012000471_100000210206 [0,2,0,0,0,0|2,0,0]=4 11232 B10R0.75 C=CCCCCN(C)C(C)C 269982a_100012000471_100000210206 [0,2,0,0,0,0|2,0,0]=4 11233 B10R0.75 C=CCCCCN(C)C(C)C 269982a_200000211004_100011215482 [0,2,0,0,0,0|2,0,0]=4 11234 B10R0.75 C=CCCCNC(C)C(C)C 2230a_100000211541_100011713584 [0,2,0,0,0,0|2,0,0]=4 11235 B10R0.75 C=CCCCOC(C)C(C)C 7a_100000748068_100000757094 [0,2,0,0,0,0|2,0,0]=4 11236 B10R0.75 C=CCCNCC(O)C(C)C 2230a_100000759067_100000754431 [0,2,0,0,0,0|2,0,0]=4 11237 B10R0.75 C=CCCNCC(O)C(C)C 34a_100000759067_100000754431 [0,2,0,0,0,0|2,0,0]=4 11238 B10R0.75 C=CCCOC[C@H](N)C(C)C 34a_100011830312_100000754431 [0,2,0,0,0,0|2,0,0]=4 11239 B10R0.75 C=CCOCCC(N)C(C)C 34a_100161115045_100015514636 [0,2,0,0,0,0|2,0,0]=4 11240 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,2,0,0,0,0|2,0,0]=4 11241 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,2,0,0,0,0|2,0,0]=4 11242 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,2,0,0,0,0|2,0,0]=4 11243 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,2,0,0,0,0|2,0,0]=4 11244 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,2,0,0,0,0|2,0,0]=4 11245 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,2,0,0,0,0|2,0,0]=4 11246 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,2,0,0,0,0|2,0,0]=4 11247 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,2,0,0,0,0|2,0,0]=4 11248 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|2,0,0]=4 11249 B10R0.75 CC(=O)C(C)SCCCC=O 62a_100009814033_200011292268 [0,2,0,0,0,0|1,0,1]=4 11250 B10R0.75 CC(=O)C(C)SCCCC=O 62a_200011292268_100009814033 [0,2,0,0,0,0|1,0,1]=4 11251 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,2,0,0,0,0|2,0,0]=4 11252 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,2,0,0,0,0|2,0,0]=4 11253 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,2,0,0,0,0|2,0,0]=4 11254 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,2,0,0,0,0|2,0,0]=4 11255 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,2,0,0,0,0|2,0,0]=4 11256 B10R0.75 CC(C)C(C)NCCCC=O 2230a_100000211541_200011292268 [0,2,0,0,0,0|1,0,0]=3 11257 B10R0.75 CC(C)C(C)OCCCC=O 7a_100000748068_200011292268 [0,2,0,0,0,0|1,0,0]=3 11258 B10R0.75 CC(C)C(N)CCOCC=O 34a_100161115045_200009817547 [0,2,0,0,0,0|1,0,0]=3 11259 B10R0.75 CC(C)N(C)CCCCC=O 269982a_200000211004_100000139335 [0,2,0,0,0,0|1,0,0]=3 11260 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,2,0,0,0,0|2,0,0]=4 11261 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,2,0,0,0,0|2,0,0]=4 11262 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 11263 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 11264 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,2,0,0,0,0|2,0,0]=4 11265 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 11266 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 11267 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,2,0,0,0,0|2,0,0]=4 11268 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,2,0,0,0,0|2,0,0]=4 11269 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,2,0,0,0,0|2,0,0]=4 11270 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 11271 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,2,0,0,0,0|2,0,0]=4 11272 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,2,0,0,0,0|2,0,0]=4 11273 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 11274 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,2,0,0,0,0|2,0,0]=4 11275 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|0,0,0]=2 11276 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [0,2,0,0,0,0|2,0,0]=4 11277 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [0,2,0,0,0,0|2,0,0]=4 11278 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [0,2,0,0,0,0|2,0,0]=4 11279 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|0,0,0]=2 11280 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|0,0,0]=2 11281 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,0,0,0,0|1,0,0]=3 11282 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,0,0,0,0|1,0,0]=3 11283 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,0,0,0,0|1,0,0]=3 11284 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,0,0,0,0|1,0,0]=3 11285 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|1,0,1]=4 11286 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|1,0,0]=3 11287 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,2,0,0,0,0|1,0,0]=3 11288 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,2,0,0,0,0|1,0,0]=3 11289 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|1,0,0]=3 11290 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,2,0,0,0,0|1,0,0]=3 11291 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,2,0,0,0,0|1,0,0]=3 11292 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|1,0,0]=3 11293 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|1,0,0]=3 11294 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,2,0,0,0,0|1,0,0]=3 11295 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,2,0,0,0,0|1,0,0]=3 11296 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,2,0,0,0,0|1,0,0]=3 11297 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,2,0,0,0,0|1,0,0]=3 11298 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,2,0,0,0,0|1,0,0]=3 11299 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,2,0,0,0,0|1,0,0]=3 11300 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,2,0,0,0,0|1,0,0]=3 11301 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,2,0,0,0,0|1,0,0]=3 11302 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|1,0,0]=3 11303 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|1,0,0]=3 11304 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,2,0,0,0,0|1,0,0]=3 11305 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,2,0,0,0,0|1,0,0]=3 11306 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,2,0,0,0,0|1,0,0]=3 11307 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,2,0,0,0,0|1,0,0]=3 11308 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,2,0,0,0,0|1,0,0]=3 11309 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,2,0,0,0,0|1,0,0]=3 11310 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|1,0,0]=3 11311 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|1,0,0]=3 11312 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|1,0,1]=4 11313 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|1,0,0]=3 11314 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|1,0,0]=3 11315 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210210 [0,2,0,0,0,0|2,0,0]=4 11316 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210211 [0,2,0,0,0,0|2,0,0]=4 11317 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|1,0,0]=3 11318 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|1,0,1]=4 11319 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|1,0,1]=4 11320 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [0,2,0,0,0,0|2,0,0]=4 11321 B10R0.75 CCOCCNC(C)C(=O)N 2230a_102516460346_100000702099 [0,2,0,0,0,0|2,0,0]=4 11322 B10R0.75 CCOCCNC(C)C(=O)N 34a_102516460346_100000702099 [0,2,0,0,0,0|2,0,0]=4 11323 B10R0.75 CCOCCNC(F)C(=O)N 2230a_102516460346_100009813875 [0,2,0,0,0,0|2,0,0]=4 11324 B10R0.75 CCOCCNC(F)C(=O)N 34a_102516460346_100009813875 [0,2,0,0,0,0|2,0,0]=4 11325 B10R0.75 CCOCCNC(F)C(=O)[O-] 34a_102516460346_100020610796 [0,2,0,0,0,0|2,0,0]=4 11326 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,2,0,0,0,0|2,0,0]=4 11327 B10R0.75 CCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215890 [0,2,0,0,0,0|2,0,0]=4 11328 B10R0.75 CCOCCN[C@H](C)C(=O)N 34a_100000119354_100000210147 [0,2,0,0,0,0|2,0,0]=4 11329 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [0,2,0,0,0,0|2,0,0]=4 11330 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [0,2,0,0,0,0|2,0,0]=4 11331 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [0,2,0,0,0,0|2,0,0]=4 11332 B10R0.75 CCOCCOC(C)C(=O)N 34a_100000210136_100000702099 [0,2,0,0,0,0|2,0,0]=4 11333 B10R0.75 CCOCCOC(C)C(=O)N 7a_100000210136_100000702099 [0,2,0,0,0,0|2,0,0]=4 11334 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [0,2,0,0,0,0|2,0,0]=4 11335 B10R0.75 CCOCCOC(F)C(=O)N 34a_100000210136_100009813875 [0,2,0,0,0,0|2,0,0]=4 11336 B10R0.75 CCOCCOC(F)C(=O)N 7a_100000210136_100009813875 [0,2,0,0,0,0|2,0,0]=4 11337 B10R0.75 CCOCCOC(F)C(=O)[O-] 34a_100000210136_100020610796 [0,2,0,0,0,0|2,0,0]=4 11338 B10R0.75 CCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215890 [0,2,0,0,0,0|2,0,0]=4 11339 B10R0.75 CCOCCO[C@H](C)C(=O)N 34a_100000731257_100000210147 [0,2,0,0,0,0|2,0,0]=4 11340 B10R0.75 CCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215890 [0,2,0,0,0,0|2,0,0]=4 11341 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [0,2,0,0,0,0|2,0,0]=4 11342 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [0,2,0,0,0,0|2,0,0]=4 11343 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000210147_100000702099 [0,2,0,0,0,0|2,0,0]=4 11344 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000702099_100011215890 [0,2,0,0,0,0|2,0,0]=4 11345 B10R0.75 CCOCCSC(F)C(=O)N 62a_100000210147_100009813875 [0,2,0,0,0,0|2,0,0]=4 11346 B10R0.75 CCOCCSC(F)C(=O)N 62a_100009813875_100011215890 [0,2,0,0,0,0|2,0,0]=4 11347 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100000210147_100020610796 [0,2,0,0,0,0|2,0,0]=4 11348 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215890 [0,2,0,0,0,0|2,0,0]=4 11349 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,2,0,0,0,0|2,0,0]=4 11350 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,2,0,0,0,0|2,0,0]=4 11351 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [0,2,0,0,0,0|2,0,0]=4 11352 B10R0.75 CCSCCNC(C)C(=O)N 2230a_100000106463_100000702099 [0,2,0,0,0,0|2,0,0]=4 11353 B10R0.75 CCSCCNC(F)C(=O)N 2230a_100000106463_100009813875 [0,2,0,0,0,0|2,0,0]=4 11354 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,2,0,0,0,0|2,0,0]=4 11355 B10R0.75 CCSCCN[C@H](C)C(=O)N 2230a_100000119354_100000757381 [0,2,0,0,0,0|2,0,0]=4 11356 B10R0.75 CCSCCN[C@H](C)C(=O)N 34a_100000119354_100000757381 [0,2,0,0,0,0|2,0,0]=4 11357 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [0,2,0,0,0,0|2,0,0]=4 11358 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [0,2,0,0,0,0|2,0,0]=4 11359 B10R0.75 CCSCCOC(C)C(=O)N 34a_100000212035_100000702099 [0,2,0,0,0,0|2,0,0]=4 11360 B10R0.75 CCSCCOC(C)C(=O)N 7a_100000212035_100000702099 [0,2,0,0,0,0|2,0,0]=4 11361 B10R0.75 CCSCCOC(F)C(=O)N 34a_100000212035_100009813875 [0,2,0,0,0,0|2,0,0]=4 11362 B10R0.75 CCSCCOC(F)C(=O)N 7a_100000212035_100009813875 [0,2,0,0,0,0|2,0,0]=4 11363 B10R0.75 CCSCCOC(F)C(=O)[O-] 34a_100000212035_100020610796 [0,2,0,0,0,0|2,0,0]=4 11364 B10R0.75 CCSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757381 [0,2,0,0,0,0|2,0,0]=4 11365 B10R0.75 CCSCCO[C@H](C)C(=O)N 34a_100000731257_100000757381 [0,2,0,0,0,0|2,0,0]=4 11366 B10R0.75 CCSCCO[C@H](C)C(=O)N 7a_100000731257_100000757381 [0,2,0,0,0,0|2,0,0]=4 11367 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [0,2,0,0,0,0|2,0,0]=4 11368 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [0,2,0,0,0,0|2,0,0]=4 11369 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000702099_100000757381 [0,2,0,0,0,0|2,0,0]=4 11370 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000757381_100000702099 [0,2,0,0,0,0|2,0,0]=4 11371 B10R0.75 CCSCCSC(F)C(=O)N 62a_100000757381_100009813875 [0,2,0,0,0,0|2,0,0]=4 11372 B10R0.75 CCSCCSC(F)C(=O)N 62a_100009813875_100000757381 [0,2,0,0,0,0|2,0,0]=4 11373 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100000757381_100020610796 [0,2,0,0,0,0|2,0,0]=4 11374 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100020610796_100000757381 [0,2,0,0,0,0|2,0,0]=4 11375 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,2,0,0,0,0|2,0,0]=4 11376 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,2,0,0,0,0|2,0,0]=4 11377 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,2,0,0,0,0|2,0,0]=4 11378 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [0,2,0,0,0,0|2,0,0]=4 11379 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [0,2,0,0,0,0|2,0,0]=4 11380 B10R0.75 COCCCNC(F)C(=O)[O-] 34a_100150723488_100020610796 [0,2,0,0,0,0|2,0,0]=4 11381 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,2,0,0,0,0|2,0,0]=4 11382 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [0,2,0,0,0,0|2,0,0]=4 11383 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [0,2,0,0,0,0|2,0,0]=4 11384 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,2,0,0,0,0|2,0,0]=4 11385 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,2,0,0,0,0|2,0,0]=4 11386 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,2,0,0,0,0|2,0,0]=4 11387 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,2,0,0,0,0|2,0,0]=4 11388 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,2,0,0,0,0|2,0,0]=4 11389 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,2,0,0,0,0|2,0,0]=4 11390 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,2,0,0,0,0|2,0,0]=4 11391 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,2,0,0,0,0|2,0,0]=4 11392 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,2,0,0,0,0|2,0,0]=4 11393 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [0,2,0,0,0,0|2,0,0]=4 11394 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [0,2,0,0,0,0|2,0,0]=4 11395 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [0,2,0,0,0,0|2,0,0]=4 11396 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [0,2,0,0,0,0|2,0,0]=4 11397 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100000709357_100020610796 [0,2,0,0,0,0|2,0,0]=4 11398 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100020610796_100000709357 [0,2,0,0,0,0|2,0,0]=4 11399 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,2,0,0,0,0|2,0,0]=4 11400 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,2,0,0,0,0|2,0,0]=4 11401 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,2,0,0,0,0|2,0,0]=4 11402 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,2,0,0,0,0|2,0,0]=4 11403 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,2,0,0,0,0|2,0,0]=4 11404 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,2,0,0,0,0|2,0,0]=4 11405 B10R0.75 CSCCCNC(C)C(=O)N 2230a_100000749238_100000702099 [0,2,0,0,0,0|2,0,0]=4 11406 B10R0.75 CSCCCNC(F)C(=O)N 2230a_100000749238_100009813875 [0,2,0,0,0,0|2,0,0]=4 11407 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,2,0,0,0,0|2,0,0]=4 11408 B10R0.75 CSCCCOC(C)C(=O)N 34a_100000690336_100000702099 [0,2,0,0,0,0|2,0,0]=4 11409 B10R0.75 CSCCCOC(C)C(=O)N 7a_100000690336_100000702099 [0,2,0,0,0,0|2,0,0]=4 11410 B10R0.75 CSCCCOC(F)C(=O)N 34a_100000690336_100009813875 [0,2,0,0,0,0|2,0,0]=4 11411 B10R0.75 CSCCCOC(F)C(=O)N 7a_100000690336_100009813875 [0,2,0,0,0,0|2,0,0]=4 11412 B10R0.75 CSCCCOC(F)C(=O)[O-] 34a_100000690336_100020610796 [0,2,0,0,0,0|2,0,0]=4 11413 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,0,0,0,0|2,0,0]=4 11414 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,2,0,0,0,0|2,0,0]=4 11415 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,2,0,0,0,0|2,0,0]=4 11416 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,2,0,0,0,0|2,0,0]=4 11417 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,2,0,0,0,0|2,0,0]=4 11418 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,2,0,0,0,0|2,0,0]=4 11419 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,2,0,0,0,0|2,0,0]=4 11420 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,2,0,0,0,0|2,0,0]=4 11421 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,2,0,0,0,0|2,0,0]=4 11422 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,2,0,0,0,0|2,0,0]=4 11423 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,2,0,0,0,0|2,0,0]=4 11424 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,2,0,0,0,0|2,0,0]=4 11425 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,2,0,0,0,0|2,0,0]=4 11426 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,2,0,0,0,0|2,0,0]=4 11427 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,2,0,0,0,0|2,0,0]=4 11428 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,2,0,0,0,0|2,0,0]=4 11429 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,2,0,0,0,0|2,0,0]=4 11430 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 11431 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 11432 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [0,2,0,0,0,0|2,0,0]=4 11433 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 11434 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 11435 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 11436 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 11437 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [0,2,0,0,0,0|2,0,0]=4 11438 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [0,2,0,0,0,0|2,0,0]=4 11439 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [0,2,0,0,0,0|2,0,0]=4 11440 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 11441 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,2,0,0,0,0|2,0,0]=4 11442 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,2,0,0,0,0|2,0,0]=4 11443 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,2,0,0,0,0|2,0,0]=4 11444 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 11445 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,2,0,0,0,0|2,0,0]=4 11446 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,2,0,0,0,0|2,0,0]=4 11447 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,2,0,0,0,0|2,0,0]=4 11448 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,2,0,0,0,0|2,0,0]=4 11449 B10R0.75 O=C([O-])C(F)OCCCCBr 34a_100011216708_100020610796 [0,2,0,0,0,0|2,0,0]=4 11450 B10R0.75 O=C([O-])C(F)OCCCCCl 34a_100000210776_100020610796 [0,2,0,0,0,0|2,0,0]=4 11451 B10R0.75 O=C([O-])C(F)OCCCCF 34a_100011995726_100020610796 [0,2,0,0,0,0|2,0,0]=4 11452 B10R0.75 O=C([O-])C(F)OCCCCI 34a_200012148704_100020610796 [0,2,0,0,0,0|2,0,0]=4 11453 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100000729493_100020610796 [0,2,0,0,0,0|2,0,0]=4 11454 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100020610796_100000729493 [0,2,0,0,0,0|2,0,0]=4 11455 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,2,0,0,0,0|2,0,0]=4 11456 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,2,0,0,0,0|2,0,0]=4 11457 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,2,0,0,0,0|1,0,1]=4 11458 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,2,0,0,0,0|1,0,1]=4 11459 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [0,2,0,0,0,0|2,0,0]=4 11460 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [0,2,0,0,0,0|2,0,0]=4 11461 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [0,2,0,0,0,0|2,0,0]=4 11462 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [0,2,0,0,0,0|2,0,0]=4 11463 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [0,2,0,0,0,0|2,0,0]=4 11464 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [0,2,0,0,0,0|2,0,0]=4 11465 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [0,2,0,0,0,0|2,0,0]=4 11466 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [0,2,0,0,0,0|2,0,0]=4 11467 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [0,2,0,0,0,0|2,0,0]=4 11468 B10R0.78 C=C(F)CNC(C)CCCC 2230a_100000126638_100009893438 [0,2,0,0,0,0|2,0,0]=4 11469 B10R0.78 C=C(F)COC(C)CCCC 34a_100000687866_100009893438 [0,2,0,0,0,0|2,0,0]=4 11470 B10R0.78 C=C(F)COC(C)CCCC 34a_200010262243_200011215066 [0,2,0,0,0,0|2,0,0]=4 11471 B10R0.78 C=C(F)COC(C)CCCC 7a_100000687866_100000042424 [0,2,0,0,0,0|2,0,0]=4 11472 B10R0.78 C=C(F)CSC(C)CCCC 62a_100000042424_200011215066 [0,2,0,0,0,0|2,0,0]=4 11473 B10R0.78 C=C(F)CSC(C)CCCC 62a_200011215066_100000042424 [0,2,0,0,0,0|2,0,0]=4 11474 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000181311_100000754431 [0,2,0,0,0,0|1,0,1]=4 11475 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000749702_100000210312 [0,2,0,0,0,0|1,0,1]=4 11476 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [0,2,0,0,0,0|1,0,1]=4 11477 B10R0.78 C=CCCC(C)NCC(C)C 270004a_100000210953_100000762624 [0,2,0,0,0,0|2,0,0]=4 11478 B10R0.78 C=CCCC(C)NCC(C)O 270004a_100000210904_100000762624 [0,2,0,0,0,0|2,0,0]=4 11479 B10R0.78 C=CCCC(C)OCC(C)C 34a_100000765329_100000210624 [0,2,0,0,0,0|2,0,0]=4 11480 B10R0.78 C=CCCC(C)OCC(C)C 7a_100000765329_100000210760 [0,2,0,0,0,0|2,0,0]=4 11481 B10R0.78 C=CCCC(C)OCC(C)O 34a_100000765329_100011218427 [0,2,0,0,0,0|2,0,0]=4 11482 B10R0.78 C=CCCC(C)OCC(C)O 7a_100000765329_100011218427 [0,2,0,0,0,0|2,0,0]=4 11483 B10R0.78 C=CCCC(C)OC[C@@H](C)O 34a_100000765329_100009817552 [0,2,0,0,0,0|2,0,0]=4 11484 B10R0.78 C=CCCC(C)OC[C@@H](C)O 7a_100000765329_100009817552 [0,2,0,0,0,0|2,0,0]=4 11485 B10R0.78 C=CCCN(C)CCC(C)C 2230a_100000742789_100000754431 [0,2,0,0,0,0|2,0,0]=4 11486 B10R0.78 C=CCCN(C)CCC(C)C 2230a_100020639649_100000210312 [0,2,0,0,0,0|2,0,0]=4 11487 B10R0.78 C=CCCN(C)CCC(C)C 269982a_100000742789_100000754431 [0,2,0,0,0,0|2,0,0]=4 11488 B10R0.78 C=CCCN(C)CCC(C)C 269982a_100020639649_100000210312 [0,2,0,0,0,0|2,0,0]=4 11489 B10R0.78 C=CCCN(C)CCC(C)O 2230a_100020639649_100012276601 [0,2,0,0,0,0|2,0,0]=4 11490 B10R0.78 C=CCCN(C)CCC(C)O 269982a_100020639649_100012276601 [0,2,0,0,0,0|2,0,0]=4 11491 B10R0.78 C=CCNC(C)CCC(C)C 2230a_100020586998_100011261404 [0,2,0,0,0,0|2,0,0]=4 11492 B10R0.78 C=CCNC(C)CCC(C)C 2230a_100138410893_100000210623 [0,2,0,0,0,0|2,0,0]=4 11493 B10R0.78 C=CCNC(C)CCC(C)C 270004a_100020586998_100000210476 [0,2,0,0,0,0|2,0,0]=4 11494 B10R0.78 C=CCOC(C)CCC(C)C 34a_100011215350_100015514636 [0,2,0,0,0,0|2,0,0]=4 11495 B10R0.78 C=CCOC(C)CCC(C)C 34a_200000210373_100011261404 [0,2,0,0,0,0|2,0,0]=4 11496 B10R0.78 C=CCOC(C)CCC(C)C 7a_100011215350_100015514636 [0,2,0,0,0,0|2,0,0]=4 11497 B10R0.78 C=CCSC(C)CCC(C)C 62a_100000210623_100011261404 [0,2,0,0,0,0|2,0,0]=4 11498 B10R0.78 C=CCSC(C)CCC(C)C 62a_100011261404_100000210623 [0,2,0,0,0,0|2,0,0]=4 11499 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [0,2,0,0,0,0|2,0,0]=4 11500 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,2,0,0,0,0|2,0,0]=4 11501 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,2,0,0,0,0|2,0,0]=4 11502 B10R0.78 CC(C)CCC(C)NCC=O 2230a_100138410893_200015260668 [0,2,0,0,0,0|1,0,0]=3 11503 B10R0.78 CC(C)CCC(C)OCC=O 34a_100011215350_200009817547 [0,2,0,0,0,0|1,0,0]=3 11504 B10R0.78 CC(C)CCC(C)OCC=O 7a_100011215350_200015260668 [0,2,0,0,0,0|1,0,0]=3 11505 B10R0.78 CC(C)CCC(C)SCC=O 62a_100011261404_200015260668 [0,2,0,0,0,0|1,0,0]=3 11506 B10R0.78 CC(C)CCC(C)SCC=O 62a_200015260668_100011261404 [0,2,0,0,0,0|1,0,0]=3 11507 B10R0.78 CC(CCCCl)OCC(=O)N 34a_200000718107_100000187820 [0,2,0,0,0,0|2,0,0]=4 11508 B10R0.78 CC(CCCCl)OCC(=O)N 7a_200000718107_100000187820 [0,2,0,0,0,0|2,0,0]=4 11509 B10R0.78 CC(CCCCl)OCC(=O)[O-] 34a_200000718107_100020667443 [0,2,0,0,0,0|2,0,0]=4 11510 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|0,0,1]=3 11511 B10R0.78 CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210211 [0,2,0,0,0,0|1,0,1]=4 11512 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,2,0,0,0,0|1,0,1]=4 11513 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,2,0,0,0,0|1,0,1]=4 11514 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|1,0,1]=4 11515 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,2,0,0,0,0|1,0,1]=4 11516 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 11517 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 11518 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 11519 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,0,0,0,0|0,0,0]=2 11520 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,0,0,0,0|0,0,0]=2 11521 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,2,0,0,0,0|1,0,0]=3 11522 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,2,0,0,0,0|1,0,0]=3 11523 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,2,0,0,0,0|1,0,0]=3 11524 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,2,0,0,0,0|1,0,0]=3 11525 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,2,0,0,0,0|1,0,0]=3 11526 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,2,0,0,0,0|1,0,0]=3 11527 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,2,0,0,0,0|1,0,0]=3 11528 B10R0.78 CCCCC(C)OC[N+](=O)[O-] 34a_100000687866_100000761209 [0,2,0,0,0,0|2,0,0]=4 11529 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,2,0,0,0,0|1,0,0]=3 11530 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,2,0,0,0,0|1,0,0]=3 11531 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,2,0,0,0,0|1,0,0]=3 11532 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,2,0,0,0,0|1,0,0]=3 11533 B10R0.78 CCCCC(C)SC[N+](=O)[O-] 62a_200011215066_100000761209 [0,2,0,0,0,0|2,0,0]=4 11534 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,2,0,0,0,0|1,0,0]=3 11535 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [0,2,0,0,0,0|1,0,0]=3 11536 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [0,2,0,0,0,0|1,0,0]=3 11537 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [0,2,0,0,0,0|1,0,0]=3 11538 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,2,0,0,0,0|2,0,0]=4 11539 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,2,0,0,0,0|1,0,1]=4 11540 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,2,0,0,0,0|1,0,1]=4 11541 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,2,0,0,0,0|1,0,1]=4 11542 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,2,0,0,0,0|1,0,1]=4 11543 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,2,0,0,0,0|2,0,0]=4 11544 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 11545 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 11546 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 11547 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,2,0,0,0,0|2,0,0]=4 11548 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [0,2,0,0,0,0|2,0,0]=4 11549 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,2,0,0,0,0|2,0,0]=4 11550 B10R0.78 CCOCC(C)OCC(=O)N 34a_100000718985_100000187820 [0,2,0,0,0,0|2,0,0]=4 11551 B10R0.78 CCOCC(C)OCC(=O)N 7a_100000718985_100000187820 [0,2,0,0,0,0|2,0,0]=4 11552 B10R0.78 CCOCC(C)OCC(=O)[O-] 34a_100000718985_100020667443 [0,2,0,0,0,0|2,0,0]=4 11553 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [0,2,0,0,0,0|2,0,0]=4 11554 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [0,2,0,0,0,0|2,0,0]=4 11555 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,2,0,0,0,0|2,0,0]=4 11556 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [0,2,0,0,0,0|2,0,0]=4 11557 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [0,2,0,0,0,0|2,0,0]=4 11558 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,2,0,0,0,0|2,0,0]=4 11559 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,2,0,0,0,0|2,0,0]=4 11560 B10R0.78 CN(CCCF)CCC(=O)N 2230a_100000730477_100011934791 [0,2,0,0,0,0|2,0,0]=4 11561 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000213112_100000744528 [0,2,0,0,0,0|2,0,0]=4 11562 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000730477_100000230001 [0,2,0,0,0,0|2,0,0]=4 11563 B10R0.78 CN(CCCO)CCC(=O)N 269982a_100000213112_100000744528 [0,2,0,0,0,0|2,0,0]=4 11564 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,2,0,0,0,0|1,0,1]=4 11565 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [0,2,0,0,0,0|2,0,0]=4 11566 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [0,2,0,0,0,0|2,0,0]=4 11567 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000730477_100011201679 [0,2,0,0,0,0|2,0,0]=4 11568 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000743101_100000744528 [0,2,0,0,0,0|2,0,0]=4 11569 B10R0.78 COCCN(C)CCC(=O)N 269982a_100000743101_100000744528 [0,2,0,0,0,0|2,0,0]=4 11570 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [0,2,0,0,0,0|2,0,0]=4 11571 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,2,0,0,0,0|1,0,1]=4 11572 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [0,2,0,0,0,0|2,0,0]=4 11573 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000686725_100000744528 [0,2,0,0,0,0|2,0,0]=4 11574 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000730477_100000751147 [0,2,0,0,0,0|2,0,0]=4 11575 B10R0.78 CSCCN(C)CCC(=O)N 269982a_100000686725_100000744528 [0,2,0,0,0,0|2,0,0]=4 11576 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,2,0,0,0,0|1,0,1]=4 11577 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,2,0,0,0,0|1,0,1]=4 11578 B10R0.97 C=C(Br)CCOCCC(C)C 34a_100009813270_100000210312 [0,2,0,0,0,0|2,0,0]=4 11579 B10R0.97 C=C(Br)CCOCCC(C)O 34a_100009813270_100012276601 [0,2,0,0,0,0|2,0,0]=4 11580 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [0,2,0,0,0,0|2,0,0]=4 11581 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,2,0,0,0,0|1,0,1]=4 11582 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,2,0,0,0,0|1,0,1]=4 11583 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000757172_100000730704 [0,2,0,0,0,0|1,0,1]=4 11584 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000764851_100000731001 [0,2,0,0,0,0|1,0,1]=4 11585 B10R0.97 C=C(C)CCOCCC(=O)N 7a_100000757172_100000730704 [0,2,0,0,0,0|1,0,1]=4 11586 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [0,2,0,0,0,0|2,0,0]=4 11587 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [0,2,0,0,0,0|2,0,0]=4 11588 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [0,2,0,0,0,0|2,0,0]=4 11589 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [0,2,0,0,0,0|2,0,0]=4 11590 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,2,0,0,0,0|2,0,0]=4 11591 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [0,2,0,0,0,0|2,0,0]=4 11592 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,2,0,0,0,0|1,0,1]=4 11593 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,2,0,0,0,0|1,0,1]=4 11594 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [0,2,0,0,0,0|1,0,1]=4 11595 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [0,2,0,0,0,0|1,0,1]=4 11596 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [0,2,0,0,0,0|2,0,0]=4 11597 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [0,2,0,0,0,0|2,0,0]=4 11598 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [0,2,0,0,0,0|2,0,0]=4 11599 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [0,2,0,0,0,0|2,0,0]=4 11600 B10R0.97 C=C(C)CNCCCC(=O)N 34a_100000739312_100000748629 [0,2,0,0,0,0|1,0,1]=4 11601 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [0,2,0,0,0,0|2,0,0]=4 11602 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [0,2,0,0,0,0|2,0,0]=4 11603 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,2,0,0,0,0|1,0,1]=4 11604 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,2,0,0,0,0|1,0,1]=4 11605 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,2,0,0,0,0|1,0,1]=4 11606 B10R0.97 C=C(C)COCCCC(=O)N 34a_100000210245_100102525003 [0,2,0,0,0,0|1,0,1]=4 11607 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [0,2,0,0,0,0|2,0,0]=4 11608 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [0,2,0,0,0,0|2,0,0]=4 11609 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [0,2,0,0,0,0|2,0,0]=4 11610 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,2,0,0,0,0|2,0,0]=4 11611 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [0,2,0,0,0,0|1,0,1]=4 11612 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [0,2,0,0,0,0|1,0,1]=4 11613 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100000748629_100102525003 [0,2,0,0,0,0|1,0,1]=4 11614 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100102525003_100000211660 [0,2,0,0,0,0|1,0,1]=4 11615 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [0,2,0,0,0,0|2,0,0]=4 11616 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [0,2,0,0,0,0|2,0,0]=4 11617 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [0,2,0,0,0,0|2,0,0]=4 11618 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [0,2,0,0,0,0|2,0,0]=4 11619 B10R0.97 C=C(F)CNCCCC(C)C 2230a_200000737386_100009893438 [0,2,0,0,0,0|2,0,0]=4 11620 B10R0.97 C=C(F)CNCCCC(C)C 34a_200000737386_100009893438 [0,2,0,0,0,0|2,0,0]=4 11621 B10R0.97 C=C(F)COCCCC(C)C 34a_100000210774_100009893438 [0,2,0,0,0,0|2,0,0]=4 11622 B10R0.97 C=C(F)COCCCC(C)C 34a_200010262243_100011214892 [0,2,0,0,0,0|2,0,0]=4 11623 B10R0.97 C=C(F)COCCCC(C)C 7a_100000210774_100000042424 [0,2,0,0,0,0|2,0,0]=4 11624 B10R0.97 C=C(F)COCCCC(C)O 34a_200010262243_200000718107 [0,2,0,0,0,0|2,0,0]=4 11625 B10R0.97 C=C(F)CSCCCC(C)C 62a_100000042424_100011214892 [0,2,0,0,0,0|2,0,0]=4 11626 B10R0.97 C=C(F)CSCCCC(C)C 62a_100011214892_100000042424 [0,2,0,0,0,0|2,0,0]=4 11627 B10R0.97 C=C(F)CSCCCC(C)O 62a_100000042424_200000718107 [0,2,0,0,0,0|2,0,0]=4 11628 B10R0.97 C=C(F)CSCCCC(C)O 62a_200000718107_100000042424 [0,2,0,0,0,0|2,0,0]=4 11629 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,2,0,0,0,0|2,0,0]=4 11630 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,2,0,0,0,0|0,0,1]=3 11631 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,2,0,0,0,0|0,0,0]=2 11632 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,2,0,0,0,0|0,0,0]=2 11633 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [0,2,0,0,0,0|1,0,1]=4 11634 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,2,0,0,0,0|1,0,0]=3 11635 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,2,0,0,0,0|1,0,1]=4 11636 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,2,0,0,0,0|1,0,0]=3 11637 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,2,0,0,0,0|1,0,1]=4 11638 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,2,0,0,0,0|1,0,0]=3 11639 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,2,0,0,0,0|1,0,0]=3 11640 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,2,0,0,0,0|1,0,1]=4 11641 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,2,0,0,0,0|1,0,0]=3 11642 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,2,0,0,0,0|1,0,0]=3 11643 B10R0.97 CC(=O)CCCNCC(F)F 34a_100000765723_100000685027 [0,2,0,0,0,0|2,0,0]=4 11644 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,2,0,0,0,0|1,0,1]=4 11645 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,2,0,0,0,0|1,0,1]=4 11646 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,2,0,0,0,0|1,0,1]=4 11647 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,2,0,0,0,0|1,0,1]=4 11648 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,2,0,0,0,0|1,0,0]=3 11649 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,2,0,0,0,0|1,0,0]=3 11650 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,2,0,0,0,0|1,0,0]=3 11651 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,2,0,0,0,0|1,0,0]=3 11652 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,2,0,0,0,0|1,0,0]=3 11653 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,2,0,0,0,0|1,0,0]=3 11654 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,2,0,0,0,0|1,0,0]=3 11655 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000743014_100000685027 [0,2,0,0,0,0|2,0,0]=4 11656 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000759063_100011934356 [0,2,0,0,0,0|2,0,0]=4 11657 B10R0.97 CC(=O)CCCOCC(F)F 7a_100000759063_100011934356 [0,2,0,0,0,0|2,0,0]=4 11658 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,2,0,0,0,0|1,0,0]=3 11659 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,2,0,0,0,0|1,0,0]=3 11660 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,2,0,0,0,0|1,0,0]=3 11661 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,2,0,0,0,0|1,0,0]=3 11662 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,2,0,0,0,0|1,0,1]=4 11663 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,2,0,0,0,0|1,0,1]=4 11664 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,2,0,0,0,0|1,0,1]=4 11665 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,2,0,0,0,0|1,0,1]=4 11666 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,2,0,0,0,0|1,0,0]=3 11667 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,2,0,0,0,0|1,0,0]=3 11668 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,2,0,0,0,0|1,0,0]=3 11669 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,2,0,0,0,0|1,0,0]=3 11670 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011215641_100011934356 [0,2,0,0,0,0|2,0,0]=4 11671 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011934356_100011215641 [0,2,0,0,0,0|2,0,0]=4 11672 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,2,0,0,0,0|1,0,0]=3 11673 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,2,0,0,0,0|1,0,0]=3 11674 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,2,0,0,0,0|1,0,1]=4 11675 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,2,0,0,0,0|1,0,1]=4 11676 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,2,0,0,0,0|1,0,1]=4 11677 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,2,0,0,0,0|1,0,1]=4 11678 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,2,0,0,0,0|1,0,0]=3 11679 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,2,0,0,0,0|1,0,0]=3 11680 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,2,0,0,0,0|1,0,0]=3 11681 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,2,0,0,0,0|1,0,0]=3 11682 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,2,0,0,0,0|1,0,0]=3 11683 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,2,0,0,0,0|2,0,0]=4 11684 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [0,2,0,0,0,0|2,0,0]=4 11685 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,2,0,0,0,0|1,0,1]=4 11686 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,2,0,0,0,0|1,0,1]=4 11687 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,2,0,0,0,0|1,0,1]=4 11688 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,2,0,0,0,0|1,0,0]=3 11689 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,2,0,0,0,0|1,0,0]=3 11690 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,2,0,0,0,0|1,0,0]=3 11691 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,2,0,0,0,0|1,0,0]=3 11692 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,2,0,0,0,0|2,0,0]=4 11693 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [0,2,0,0,0,0|2,0,0]=4 11694 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [0,2,0,0,0,0|2,0,0]=4 11695 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,2,0,0,0,0|1,0,1]=4 11696 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,2,0,0,0,0|1,0,0]=3 11697 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,2,0,0,0,0|1,0,0]=3 11698 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [0,2,0,0,0,0|2,0,0]=4 11699 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [0,2,0,0,0,0|2,0,0]=4 11700 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 11701 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 11702 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 11703 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,2,0,0,0,0|1,0,1]=4 11704 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,2,0,0,0,0|2,0,0]=4 11705 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [0,2,0,0,0,0|2,0,0]=4 11706 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [0,2,0,0,0,0|2,0,0]=4 11707 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [0,2,0,0,0,0|2,0,0]=4 11708 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [0,2,0,0,0,0|2,0,0]=4 11709 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [0,2,0,0,0,0|2,0,0]=4 11710 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [0,2,0,0,0,0|2,0,0]=4 11711 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,2,0,0,0,0|2,0,0]=4 11712 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,2,0,0,0,0|2,0,0]=4 11713 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,2,0,0,0,0|2,0,0]=4 11714 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,2,0,0,0,0|2,0,0]=4 11715 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,2,0,0,0,0|2,0,0]=4 11716 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,2,0,0,0,0|2,0,0]=4 11717 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,2,0,0,0,0|2,0,0]=4 11718 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,2,0,0,0,0|2,0,0]=4 11719 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,2,0,0,0,0|2,0,0]=4 11720 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,2,0,0,0,0|2,0,0]=4 11721 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,2,0,0,0,0|2,0,0]=4 11722 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,2,0,0,0,0|2,0,0]=4 11723 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,2,0,0,0,0|2,0,0]=4 11724 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,2,0,0,0,0|2,0,0]=4 11725 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,2,0,0,0,0|2,0,0]=4 11726 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,2,0,0,0,0|2,0,0]=4 11727 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,2,0,0,0,0|2,0,0]=4 11728 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,2,0,0,0,0|2,0,0]=4 11729 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,2,0,0,0,0|2,0,0]=4 11730 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,2,0,0,0,0|2,0,0]=4 11731 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,2,0,0,0,0|2,0,0]=4 11732 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,2,0,0,0,0|2,0,0]=4 11733 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,2,0,0,0,0|2,0,0]=4 11734 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,2,0,0,0,0|2,0,0]=4 11735 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,2,0,0,0,0|2,0,0]=4 11736 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,2,0,0,0,0|2,0,0]=4 11737 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,2,0,0,0,0|2,0,0]=4 11738 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,2,0,0,0,0|2,0,0]=4 11739 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,2,0,0,0,0|2,0,0]=4 11740 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,2,0,0,0,0|2,0,0]=4 11741 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,2,0,0,0,0|2,0,0]=4 11742 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,2,0,0,0,0|2,0,0]=4 11743 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,2,0,0,0,0|2,0,0]=4 11744 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,2,0,0,0,0|2,0,0]=4 11745 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,2,0,0,0,0|2,0,0]=4 11746 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,2,0,0,0,0|2,0,0]=4 11747 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,2,0,0,0,0|2,0,0]=4 11748 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,2,0,0,0,0|2,0,0]=4 11749 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,2,0,0,0,0|2,0,0]=4 11750 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,2,0,0,0,0|2,0,0]=4 11751 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,2,0,0,0,0|2,0,0]=4 11752 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,2,0,0,0,0|2,0,0]=4 11753 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,2,0,0,0,0|2,0,0]=4 11754 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,2,0,0,0,0|2,0,0]=4 11755 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,2,0,0,0,0|2,0,0]=4 11756 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,2,0,0,0,0|2,0,0]=4 11757 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [0,2,0,0,0,0|1,0,0]=3 11758 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [0,2,0,0,0,0|1,0,0]=3 11759 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,2,0,0,0,0|2,0,0]=4 11760 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,2,0,0,0,0|0,0,0]=2 11761 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [0,2,0,0,0,0|2,0,0]=4 11762 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [0,2,0,0,0,0|2,0,0]=4 11763 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,2,0,0,0,0|1,0,0]=3 11764 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,2,0,0,0,0|1,0,0]=3 11765 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,2,0,0,0,0|1,0,0]=3 11766 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,2,0,0,0,0|1,0,0]=3 11767 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,2,0,0,0,0|1,0,0]=3 11768 B10R0.97 CC(C)CCCNC[N+](=O)[O-] 34a_200000737386_100000761209 [0,2,0,0,0,0|2,0,0]=4 11769 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,2,0,0,0,0|1,0,0]=3 11770 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,2,0,0,0,0|1,0,0]=3 11771 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,2,0,0,0,0|1,0,0]=3 11772 B10R0.97 CC(C)CCCOC[N+](=O)[O-] 34a_100000210774_100000761209 [0,2,0,0,0,0|2,0,0]=4 11773 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,2,0,0,0,0|1,0,0]=3 11774 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,2,0,0,0,0|1,0,0]=3 11775 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,2,0,0,0,0|1,0,0]=3 11776 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,2,0,0,0,0|1,0,0]=3 11777 B10R0.97 CC(C)CCCSC[N+](=O)[O-] 62a_100011214892_100000761209 [0,2,0,0,0,0|2,0,0]=4 11778 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,2,0,0,0,0|1,0,0]=3 11779 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [0,2,0,0,0,0|2,0,0]=4 11780 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,2,0,0,0,0|1,0,0]=3 11781 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,2,0,0,0,0|1,0,0]=3 11782 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,2,0,0,0,0|1,0,0]=3 11783 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,2,0,0,0,0|1,0,0]=3 11784 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,2,0,0,0,0|1,0,0]=3 11785 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,2,0,0,0,0|1,0,0]=3 11786 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,2,0,0,0,0|1,0,0]=3 11787 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,2,0,0,0,0|1,0,0]=3 11788 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [0,2,0,0,0,0|2,0,0]=4 11789 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [0,2,0,0,0,0|2,0,0]=4 11790 B10R0.97 CC(C)CNCCNC(=O)N 2230a_100000210953_200000034859 [0,2,0,0,0,0|2,0,0]=4 11791 B10R0.97 CC(C)CNCCNC(=O)N 34a_100020590234_100000210624 [0,2,0,0,0,0|2,0,0]=4 11792 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,2,0,0,0,0|2,0,0]=4 11793 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,2,0,0,0,0|1,0,0]=3 11794 B10R0.97 CC(C)COCCC[N+](=O)[O-] 34a_200000037920_100000210624 [0,2,0,0,0,0|2,0,0]=4 11795 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [0,2,0,0,0,0|2,0,0]=4 11796 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,2,0,0,0,0|2,0,0]=4 11797 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,2,0,0,0,0|2,0,0]=4 11798 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,2,0,0,0,0|1,0,0]=3 11799 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,2,0,0,0,0|1,0,0]=3 11800 B10R0.97 CC(C)CSCCNC(=O)N 62a_100000210624_200000034859 [0,2,0,0,0,0|2,0,0]=4 11801 B10R0.97 CC(C)CSCCNC(=O)N 62a_200000034859_100000210760 [0,2,0,0,0,0|2,0,0]=4 11802 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,2,0,0,0,0|2,0,0]=4 11803 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,2,0,0,0,0|2,0,0]=4 11804 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,2,0,0,0,0|1,0,0]=3 11805 B10R0.97 CC(C)NCCOCC(=O)N 2230a_100138425928_100000076697 [0,2,0,0,0,0|2,0,0]=4 11806 B10R0.97 CC(C)NCCOCC(=O)N 34a_100000224655_100000187820 [0,2,0,0,0,0|2,0,0]=4 11807 B10R0.97 CC(C)NCCOCC(=O)N 34a_100138425928_100000076697 [0,2,0,0,0,0|2,0,0]=4 11808 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,2,0,0,0,0|2,0,0]=4 11809 B10R0.97 CC(C)NCCOCC(=O)[O-] 34a_100000224655_100020667443 [0,2,0,0,0,0|2,0,0]=4 11810 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,2,0,0,0,0|1,0,0]=3 11811 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,2,0,0,0,0|1,0,0]=3 11812 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000210206 [0,2,0,0,0,0|2,0,0]=4 11813 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000210206 [0,2,0,0,0,0|2,0,0]=4 11814 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000701111_100000747473 [0,2,0,0,0,0|2,0,0]=4 11815 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000711301_100000211751 [0,2,0,0,0,0|2,0,0]=4 11816 B10R0.97 CC(C)OCCNCC(=O)N 34a_100000701111_100000187820 [0,2,0,0,0,0|2,0,0]=4 11817 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [0,2,0,0,0,0|2,0,0]=4 11818 B10R0.97 CC(C)OCCNCC(=O)[O-] 34a_100000701111_100020667443 [0,2,0,0,0,0|2,0,0]=4 11819 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000211219_100000187820 [0,2,0,0,0,0|2,0,0]=4 11820 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000212225_100000076697 [0,2,0,0,0,0|2,0,0]=4 11821 B10R0.97 CC(C)OCCOCC(=O)N 7a_100000211219_100000187820 [0,2,0,0,0,0|2,0,0]=4 11822 B10R0.97 CC(C)OCCOCC(=O)[O-] 34a_100000211219_100020667443 [0,2,0,0,0,0|2,0,0]=4 11823 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000211751_100000747473 [0,2,0,0,0,0|2,0,0]=4 11824 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000747473_100000211751 [0,2,0,0,0,0|2,0,0]=4 11825 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100000211751_100020667443 [0,2,0,0,0,0|2,0,0]=4 11826 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100020667443_100000211751 [0,2,0,0,0,0|2,0,0]=4 11827 B10R0.97 CC(C)OCOCCC(=O)N 34a_100000757172_100000709892 [0,2,0,0,0,0|2,0,0]=4 11828 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000709892_100000744528 [0,2,0,0,0,0|2,0,0]=4 11829 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000744528_100000709892 [0,2,0,0,0,0|2,0,0]=4 11830 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000711301_100000730970 [0,2,0,0,0,0|2,0,0]=4 11831 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000731138_100000747473 [0,2,0,0,0,0|2,0,0]=4 11832 B10R0.97 CC(C)SCCNCC(=O)N 34a_100000731138_100000187820 [0,2,0,0,0,0|2,0,0]=4 11833 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [0,2,0,0,0,0|2,0,0]=4 11834 B10R0.97 CC(C)SCCNCC(=O)[O-] 34a_100000731138_100020667443 [0,2,0,0,0,0|2,0,0]=4 11835 B10R0.97 CC(C)SCCOCC(=O)N 34a_200011212901_100000187820 [0,2,0,0,0,0|2,0,0]=4 11836 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000076697_100000210206 [0,2,0,0,0,0|2,0,0]=4 11837 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000210206_100000076697 [0,2,0,0,0,0|2,0,0]=4 11838 B10R0.97 CC(C)SCCOCC(=O)N 7a_200011212901_100000187820 [0,2,0,0,0,0|2,0,0]=4 11839 B10R0.97 CC(C)SCCOCC(=O)[O-] 34a_200011212901_100020667443 [0,2,0,0,0,0|2,0,0]=4 11840 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000730970_100000747473 [0,2,0,0,0,0|2,0,0]=4 11841 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000747473_100000730970 [0,2,0,0,0,0|2,0,0]=4 11842 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100000730970_100020667443 [0,2,0,0,0,0|2,0,0]=4 11843 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100020667443_100000730970 [0,2,0,0,0,0|2,0,0]=4 11844 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [0,2,0,0,0,0|1,0,0]=3 11845 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,2,0,0,0,0|2,0,0]=4 11846 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,2,0,0,0,0|1,0,0]=3 11847 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,2,0,0,0,0|1,0,0]=3 11848 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,2,0,0,0,0|1,0,0]=3 11849 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,2,0,0,0,0|1,0,0]=3 11850 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,2,0,0,0,0|1,0,0]=3 11851 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,2,0,0,0,0|1,0,0]=3 11852 B10R0.97 CC(O)CCCSC[N+](=O)[O-] 62a_200000718107_100000761209 [0,2,0,0,0,0|2,0,0]=4 11853 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,2,0,0,0,0|1,0,0]=3 11854 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,2,0,0,0,0|2,0,0]=4 11855 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,2,0,0,0,0|1,0,0]=3 11856 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,2,0,0,0,0|1,0,0]=3 11857 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,2,0,0,0,0|1,0,0]=3 11858 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,2,0,0,0,0|1,0,0]=3 11859 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,2,0,0,0,0|1,0,0]=3 11860 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,2,0,0,0,0|1,0,0]=3 11861 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [0,2,0,0,0,0|2,0,0]=4 11862 B10R0.97 CC(O)CNCCNC(=O)N 2230a_100000210904_200000034859 [0,2,0,0,0,0|2,0,0]=4 11863 B10R0.97 CC(O)CNCCNC(=O)N 34a_100020590234_100011218427 [0,2,0,0,0,0|2,0,0]=4 11864 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,2,0,0,0,0|2,0,0]=4 11865 B10R0.97 CC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218427 [0,2,0,0,0,0|2,0,0]=4 11866 B10R0.97 CC(O)COCCNC(=O)N 34a_100000181757_100011218427 [0,2,0,0,0,0|2,0,0]=4 11867 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,2,0,0,0,0|2,0,0]=4 11868 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,2,0,0,0,0|1,0,0]=3 11869 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,2,0,0,0,0|1,0,0]=3 11870 B10R0.97 CC(O)CSCCNC(=O)N 62a_100011218427_200000034859 [0,2,0,0,0,0|2,0,0]=4 11871 B10R0.97 CC(O)CSCCNC(=O)N 62a_200000034859_100011218427 [0,2,0,0,0,0|2,0,0]=4 11872 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,2,0,0,0,0|2,0,0]=4 11873 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,2,0,0,0,0|2,0,0]=4 11874 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,2,0,0,0,0|1,0,0]=3 11875 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,2,0,0,0,0|1,0,0]=3 11876 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,2,0,0,0,0|2,0,0]=4 11877 B10R0.97 CN(C)CCCSCC(=O)N 62a_100000747473_100000757444 [0,2,0,0,0,0|2,0,0]=4 11878 B10R0.97 CN(C)CCCSCC(=O)[O-] 62a_100020667443_100000757444 [0,2,0,0,0,0|2,0,0]=4 11879 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [0,2,0,0,0,0|2,0,0]=4 11880 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [0,2,0,0,0,0|2,0,0]=4 11881 B10R0.97 CS(=O)CCCNCC(=O)N 2230a_200000753449_100000747473 [0,2,0,0,0,0|2,0,0]=4 11882 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [0,2,0,0,0,0|1,0,0]=3 11883 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,2,0,0,0,0|2,0,0]=4 11884 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [0,2,0,0,0,0|1,0,0]=3 11885 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [0,2,0,0,0,0|1,0,0]=3 11886 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,2,0,0,0,0|2,0,0]=4 11887 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,2,0,0,0,0|1,0,0]=3 11888 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [0,2,0,0,0,0|2,0,0]=4 11889 B10R0.97 C[C@@H](O)CNCCNC(=O)N 34a_100020590234_100009817552 [0,2,0,0,0,0|2,0,0]=4 11890 B10R0.97 C[C@@H](O)COCCC[N+](=O)[O-] 34a_200000037920_100009817552 [0,2,0,0,0,0|2,0,0]=4 11891 B10R0.97 C[C@@H](O)COCCNC(=O)N 34a_100000181757_100009817552 [0,2,0,0,0,0|2,0,0]=4 11892 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,2,0,0,0,0|2,0,0]=4 11893 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,2,0,0,0,0|1,0,0]=3 11894 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,2,0,0,0,0|1,0,0]=3 11895 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_100009817552_200000034859 [0,2,0,0,0,0|2,0,0]=4 11896 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_200000034859_100009817552 [0,2,0,0,0,0|2,0,0]=4 11897 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,2,0,0,0,0|2,0,0]=4 11898 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,2,0,0,0,0|2,0,0]=4 11899 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000739312_100011934356 [0,2,0,0,0,0|2,0,0]=4 11900 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000765723_100102525003 [0,2,0,0,0,0|2,0,0]=4 11901 B10R0.97 NC(=O)CCCOCC(F)F 34a_100000743014_100102525003 [0,2,0,0,0,0|2,0,0]=4 11902 B10R0.97 NC(=O)CCCSCC(F)F 62a_100011934356_100102525003 [0,2,0,0,0,0|2,0,0]=4 11903 B10R0.97 NC(=O)CCCSCC(F)F 62a_100102525003_100011934356 [0,2,0,0,0,0|2,0,0]=4 11904 B10R0.97 NC(=O)CCOCCC(F)F 34a_100103093639_100000731001 [0,2,0,0,0,0|2,0,0]=4 11905 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [0,2,0,0,0,0|1,0,1]=4 11906 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|1,0,1]=4 11907 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|1,0,1]=4 11908 B10R0.1 C#CCC(C)OCCCC=O 7a_100000685586_200011292268 [0,2,0,0,0,0|0,0,2]=4 11909 B10R0.1 C#CCC(C)OCCCCC 34a_100000685586_100000718602 [0,2,0,0,0,0|1,0,1]=4 11910 B10R0.1 C#CCC(C)OCCCCC 7a_100000685586_100000210326 [0,2,0,0,0,0|1,0,1]=4 11911 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,2,0,0,0,0|1,0,1]=4 11912 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,2,0,0,0,0|1,0,1]=4 11913 B10R0.1 C#CCCCCN(C)CCC 2230a_100000747261_100010269958 [0,2,0,0,0,0|1,0,1]=4 11914 B10R0.1 C#CCCCCN(C)CCC 269982a_100000747261_100010269958 [0,2,0,0,0,0|1,0,1]=4 11915 B10R0.1 C#CCCCNC(C)CCC 2230a_100000741246_100000731252 [0,2,0,0,0,0|1,0,1]=4 11916 B10R0.1 C#CCCCNC(C)CCC 270004a_100000718082_100000211909 [0,2,0,0,0,0|1,0,1]=4 11917 B10R0.1 C#CCCCNC(C)CCC 34a_100000718082_100000766640 [0,2,0,0,0,0|1,0,1]=4 11918 B10R0.1 C#CCCCOC(C)CCC 34a_100000215630_100000766640 [0,2,0,0,0,0|1,0,1]=4 11919 B10R0.1 C#CCCCOC(C)CCC 34a_100000764384_100000695029 [0,2,0,0,0,0|1,0,1]=4 11920 B10R0.1 C#CCCCOC(C)CCC 7a_100000215630_100000766640 [0,2,0,0,0,0|1,0,1]=4 11921 B10R0.1 C#CCCCOC(C)CCC 7a_100000764384_100011215417 [0,2,0,0,0,0|1,0,1]=4 11922 B10R0.1 C#CCCCSC(C)CCC 62a_100000766640_100011215417 [0,2,0,0,0,0|1,0,1]=4 11923 B10R0.1 C#CCCCSC(C)CCC 62a_100011215417_100000766640 [0,2,0,0,0,0|1,0,1]=4 11924 B10R0.1 C#CCCNCC(C)CCC 34a_100000755551_100011216630 [0,2,0,0,0,0|1,0,1]=4 11925 B10R0.1 C#CCCOCC(C)CCC 34a_100000688023_100000688953 [0,2,0,0,0,0|1,0,1]=4 11926 B10R0.1 C#CCCOCC(C)CCC 34a_100011215631_100011216630 [0,2,0,0,0,0|1,0,1]=4 11927 B10R0.1 C#CCCOCC(C)CCC 7a_100000688023_100000688953 [0,2,0,0,0,0|1,0,1]=4 11928 B10R0.1 C#CCCOC[C@@H](N)CCC 34a_100000732646_100000688953 [0,2,0,0,0,0|1,0,1]=4 11929 B10R0.1 C#CCCSCC(C)CCC 62a_100000688953_100011216630 [0,2,0,0,0,0|1,0,1]=4 11930 B10R0.1 C#CCCSCC(C)CCC 62a_100011216630_100000688953 [0,2,0,0,0,0|1,0,1]=4 11931 B10R0.1 C#CCN(C)CCCCC=O 2230a_100000225692_100000139335 [0,2,0,0,0,0|0,0,2]=4 11932 B10R0.1 C#CCN(C)CCCCCC 2230a_100000225692_100000210314 [0,2,0,0,0,0|1,0,1]=4 11933 B10R0.1 C#CCN(C)CCCCCC 2230a_106256046315_100000038162 [0,2,0,0,0,0|1,0,1]=4 11934 B10R0.1 C#CCN(C)CCCCCC 34a_100000225692_100000210314 [0,2,0,0,0,0|1,0,1]=4 11935 B10R0.1 C#CCOCCC(C)CCC 34a_100011217855_100000184674 [0,2,0,0,0,0|1,0,1]=4 11936 B10R0.1 C#CCOCCC(C)CCC 7a_100011217855_100000038162 [0,2,0,0,0,0|1,0,1]=4 11937 B10R0.1 C#CCOCC[C@@H](N)CCC 34a_100015193777_100000184674 [0,2,0,0,0,0|1,0,1]=4 11938 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,2,0,0,0,0|1,0,1]=4 11939 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [0,2,0,0,0,0|1,0,1]=4 11940 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [0,2,0,0,0,0|1,0,1]=4 11941 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [0,2,0,0,0,0|1,0,1]=4 11942 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [0,2,0,0,0,0|1,0,1]=4 11943 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [0,2,0,0,0,0|1,0,1]=4 11944 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [0,2,0,0,0,0|1,0,1]=4 11945 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [0,2,0,0,0,0|1,0,1]=4 11946 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|1,0,0]=3 11947 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|1,0,0]=3 11948 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,2,0,0,0,0|1,0,1]=4 11949 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,2,0,0,0,0|1,0,1]=4 11950 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,2,0,0,0,0|1,0,1]=4 11951 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,2,0,0,0,0|1,0,1]=4 11952 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,2,0,0,0,0|1,0,1]=4 11953 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,2,0,0,0,0|1,0,1]=4 11954 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,2,0,0,0,0|1,0,1]=4 11955 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,2,0,0,0,0|1,0,1]=4 11956 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,2,0,0,0,0|1,0,1]=4 11957 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 11958 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 11959 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 11960 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 11961 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,2,0,0,0,0|1,0,0]=3 11962 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,2,0,0,0,0|1,0,0]=3 11963 B10R0.1 C=CCC(C)COCCCF 34a_100009832082_100011934791 [0,2,0,0,0,0|2,0,0]=4 11964 B10R0.1 C=CCC(C)COCCCF 7a_100009832082_100011934791 [0,2,0,0,0,0|2,0,0]=4 11965 B10R0.1 C=CCC(C)COCCCO 34a_100009832082_100000230001 [0,2,0,0,0,0|2,0,0]=4 11966 B10R0.1 C=CCC(C)COCCCO 7a_100009832082_100011215043 [0,2,0,0,0,0|2,0,0]=4 11967 B10R0.1 C=CCC(C)COCCOC 34a_100009832082_100011201679 [0,2,0,0,0,0|2,0,0]=4 11968 B10R0.1 C=CCC(C)COCCOC 7a_100009832082_100000233755 [0,2,0,0,0,0|2,0,0]=4 11969 B10R0.1 C=CCC(C)COCCSC 34a_100009832082_100000212216 [0,2,0,0,0,0|2,0,0]=4 11970 B10R0.1 C=CCC(C)COCCSC 7a_100009832082_100000212216 [0,2,0,0,0,0|2,0,0]=4 11971 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|1,0,0]=3 11972 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|1,0,0]=3 11973 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,2,0,0,0,0|1,0,1]=4 11974 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|1,0,1]=4 11975 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|1,0,1]=4 11976 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|1,0,1]=4 11977 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,2,0,0,0,0|1,0,1]=4 11978 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,2,0,0,0,0|1,0,1]=4 11979 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,2,0,0,0,0|1,0,1]=4 11980 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,2,0,0,0,0|1,0,1]=4 11981 B10R0.1 C=CCCCCN(C)CC=O 2230a_100012000471_200015260668 [0,2,0,0,0,0|0,0,2]=4 11982 B10R0.1 C=CCCCCN(C)CC=O 269982a_100012000471_200015260668 [0,2,0,0,0,0|0,0,2]=4 11983 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [0,2,0,0,0,0|1,0,0]=3 11984 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [0,2,0,0,0,0|1,0,0]=3 11985 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [0,2,0,0,0,0|1,0,0]=3 11986 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [0,2,0,0,0,0|1,0,0]=3 11987 B10R0.1 C=CCCCCN(C)CCF 2230a_100012000471_100011217306 [0,2,0,0,0,0|2,0,0]=4 11988 B10R0.1 C=CCCCCN(C)CCF 269982a_100012000471_100011217306 [0,2,0,0,0,0|2,0,0]=4 11989 B10R0.1 C=CCCCCN(C)CCO 2230a_100000210263_100011215482 [0,2,0,0,0,0|2,0,0]=4 11990 B10R0.1 C=CCCCCN(C)CCO 2230a_100012000471_100000211926 [0,2,0,0,0,0|2,0,0]=4 11991 B10R0.1 C=CCCCCN(C)CCO 269982a_100000210263_100011215482 [0,2,0,0,0,0|2,0,0]=4 11992 B10R0.1 C=CCCCCN(C)CCO 269982a_100012000471_100000211926 [0,2,0,0,0,0|2,0,0]=4 11993 B10R0.1 C=CCCCCN(C)COC 2230a_100012000471_100000766300 [0,2,0,0,0,0|2,0,0]=4 11994 B10R0.1 C=CCCCCN(C)COC 269982a_100012000471_100000766300 [0,2,0,0,0,0|2,0,0]=4 11995 B10R0.1 C=CCCCCN(C)CSC 2230a_100012000471_100011218213 [0,2,0,0,0,0|2,0,0]=4 11996 B10R0.1 C=CCCCCN(C)CSC 269982a_100012000471_100011218213 [0,2,0,0,0,0|2,0,0]=4 11997 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,2,0,0,0,0|1,0,1]=4 11998 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,2,0,0,0,0|1,0,1]=4 11999 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,2,0,0,0,0|1,0,1]=4 12000 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,2,0,0,0,0|1,0,1]=4 12001 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [0,2,0,0,0,0|1,0,0]=3 12002 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [0,2,0,0,0,0|1,0,0]=3 12003 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [0,2,0,0,0,0|1,0,0]=3 12004 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [0,2,0,0,0,0|1,0,0]=3 12005 B10R0.1 C=CCCCNC(C)CCO 2230a_100000700776_100009893172 [0,2,0,0,0,0|2,0,0]=4 12006 B10R0.1 C=CCCCNC(C)CCO 34a_100000700776_100009893172 [0,2,0,0,0,0|2,0,0]=4 12007 B10R0.1 C=CCCCNC(C)COC 2230a_100000700776_100000765312 [0,2,0,0,0,0|2,0,0]=4 12008 B10R0.1 C=CCCCNC(C)COC 270004a_100000700776_100000749346 [0,2,0,0,0,0|2,0,0]=4 12009 B10R0.1 C=CCCCNC(C)COC 34a_100000700776_100000765312 [0,2,0,0,0,0|2,0,0]=4 12010 B10R0.1 C=CCCCNC(C)CSC 270004a_100000700776_100011216314 [0,2,0,0,0,0|2,0,0]=4 12011 B10R0.1 C=CCCCN[C@H](C)CCO 2230a_100000706166_100011713584 [0,2,0,0,0,0|2,0,0]=4 12012 B10R0.1 C=CCCCN[C@H](C)CCO 34a_100000706166_100000757094 [0,2,0,0,0,0|2,0,0]=4 12013 B10R0.1 C=CCCCN[C@H](C)COC 2230a_100000764878_100011713584 [0,2,0,0,0,0|2,0,0]=4 12014 B10R0.1 C=CCCCOC(C)CCBr 34a_100012276601_100000757094 [0,2,0,0,0,0|2,0,0]=4 12015 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,2,0,0,0,0|1,0,0]=3 12016 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,2,0,0,0,0|1,0,0]=3 12017 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,2,0,0,0,0|1,0,0]=3 12018 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,2,0,0,0,0|1,0,0]=3 12019 B10R0.1 C=CCCCOC(C)CCO 34a_100000758997_100009893172 [0,2,0,0,0,0|2,0,0]=4 12020 B10R0.1 C=CCCCOC(C)CCO 7a_100000758997_100009893172 [0,2,0,0,0,0|2,0,0]=4 12021 B10R0.1 C=CCCCOC(C)COC 34a_100000758997_100000765312 [0,2,0,0,0,0|2,0,0]=4 12022 B10R0.1 C=CCCCOC(C)COC 7a_100000758997_100000765312 [0,2,0,0,0,0|2,0,0]=4 12023 B10R0.1 C=CCCCO[C@H](C)COC 34a_100011934205_100000757094 [0,2,0,0,0,0|2,0,0]=4 12024 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [0,2,0,0,0,0|1,0,0]=3 12025 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [0,2,0,0,0,0|1,0,0]=3 12026 B10R0.1 C=CCCCSC(C)CCO 62a_100009893172_100000757094 [0,2,0,0,0,0|2,0,0]=4 12027 B10R0.1 C=CCCCSC(C)CCO 62a_100011713584_100009893172 [0,2,0,0,0,0|2,0,0]=4 12028 B10R0.1 C=CCCCSC(C)COC 62a_100000765312_100000757094 [0,2,0,0,0,0|2,0,0]=4 12029 B10R0.1 C=CCCCSC(C)COC 62a_100011713584_100000765312 [0,2,0,0,0,0|2,0,0]=4 12030 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,2,0,0,0,0|1,0,1]=4 12031 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [0,2,0,0,0,0|1,0,0]=3 12032 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [0,2,0,0,0,0|1,0,0]=3 12033 B10R0.1 C=CCCNCC(O)COC 2230a_100000756049_100000754431 [0,2,0,0,0,0|2,0,0]=4 12034 B10R0.1 C=CCCNCC(O)COC 34a_100000756049_100000754431 [0,2,0,0,0,0|2,0,0]=4 12035 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [0,2,0,0,0,0|1,0,0]=3 12036 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [0,2,0,0,0,0|1,0,0]=3 12037 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [0,2,0,0,0,0|1,0,0]=3 12038 B10R0.1 C=CCCOCC(C)CCN 34a_106354213184_100000754431 [0,2,0,0,0,0|2,0,0]=4 12039 B10R0.1 C=CCCOCC(N)COC 34a_100000724102_100000754431 [0,2,0,0,0,0|2,0,0]=4 12040 B10R0.1 C=CCCOCC(O)COC 34a_100011205117_100011215053 [0,2,0,0,0,0|2,0,0]=4 12041 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [0,2,0,0,0,0|1,0,0]=3 12042 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,2,0,0,0,0|1,0,1]=4 12043 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,2,0,0,0,0|1,0,1]=4 12044 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [0,2,0,0,0,0|1,0,0]=3 12045 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [0,2,0,0,0,0|1,0,0]=3 12046 B10R0.1 C=CCCSCC(O)COC 62a_100000754431_100011215053 [0,2,0,0,0,0|2,0,0]=4 12047 B10R0.1 C=CCCSCC(O)COC 62a_100011215053_100000754431 [0,2,0,0,0,0|2,0,0]=4 12048 B10R0.1 C=CCN(C)CCCCC=O 2230a_100000225617_100000139335 [0,2,0,0,0,0|0,0,2]=4 12049 B10R0.1 C=CCN(C)CCCCC=O 269982a_100000225617_100000139335 [0,2,0,0,0,0|0,0,2]=4 12050 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,2,0,0,0,0|1,0,0]=3 12051 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,2,0,0,0,0|1,0,0]=3 12052 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,2,0,0,0,0|1,0,0]=3 12053 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,2,0,0,0,0|1,0,0]=3 12054 B10R0.1 C=CCN(C)CCCCCF 2230a_100000225617_100000729378 [0,2,0,0,0,0|2,0,0]=4 12055 B10R0.1 C=CCN(C)CCCCCF 269982a_100000225617_100000729378 [0,2,0,0,0,0|2,0,0]=4 12056 B10R0.1 C=CCN(C)CCCCCO 2230a_100000225617_100000746330 [0,2,0,0,0,0|2,0,0]=4 12057 B10R0.1 C=CCN(C)CCCCCO 2230a_100000722520_100000210623 [0,2,0,0,0,0|2,0,0]=4 12058 B10R0.1 C=CCN(C)CCCCCO 269982a_100000225617_100000746330 [0,2,0,0,0,0|2,0,0]=4 12059 B10R0.1 C=CCN(C)CCCCCO 269982a_100000722520_100000210623 [0,2,0,0,0,0|2,0,0]=4 12060 B10R0.1 C=CCN(C)CCCCOC 2230a_100000225617_100000730899 [0,2,0,0,0,0|2,0,0]=4 12061 B10R0.1 C=CCN(C)CCCCOC 269982a_100000225617_100000730899 [0,2,0,0,0,0|2,0,0]=4 12062 B10R0.1 C=CCN(C)CCCOCC 2230a_100000225617_100012232248 [0,2,0,0,0,0|2,0,0]=4 12063 B10R0.1 C=CCN(C)CCCOCC 269982a_100000225617_100012232248 [0,2,0,0,0,0|2,0,0]=4 12064 B10R0.1 C=CCN(C)CCOCCC 2230a_100000225617_100011215938 [0,2,0,0,0,0|2,0,0]=4 12065 B10R0.1 C=CCN(C)CCOCCC 269982a_100000225617_100011215938 [0,2,0,0,0,0|2,0,0]=4 12066 B10R0.1 C=CCN(C)COCCCC 2230a_100000225617_100011995733 [0,2,0,0,0,0|2,0,0]=4 12067 B10R0.1 C=CCN(C)COCCCC 269982a_100000225617_100011995733 [0,2,0,0,0,0|2,0,0]=4 12068 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,2,0,0,0,0|1,0,1]=4 12069 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [0,2,0,0,0,0|1,0,0]=3 12070 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [0,2,0,0,0,0|1,0,0]=3 12071 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [0,2,0,0,0,0|1,0,0]=3 12072 B10R0.1 C=CC[C@@H](C)OCCCC=O 7a_100000731007_200011292268 [0,2,0,0,0,0|0,0,2]=4 12073 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,2,0,0,0,0|1,0,0]=3 12074 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,2,0,0,0,0|1,0,0]=3 12075 B10R0.1 C=CC[C@@H](C)OCCCCF 34a_100000731007_100000729493 [0,2,0,0,0,0|2,0,0]=4 12076 B10R0.1 C=CC[C@@H](C)OCCCCF 7a_100000731007_100000729493 [0,2,0,0,0,0|2,0,0]=4 12077 B10R0.1 C=CC[C@@H](C)OCCCCO 34a_100000731007_100011216708 [0,2,0,0,0,0|2,0,0]=4 12078 B10R0.1 C=CC[C@@H](C)OCCCCO 7a_100000731007_100000210776 [0,2,0,0,0,0|2,0,0]=4 12079 B10R0.1 C=CC[C@@H](C)OCCCOC 34a_100000731007_100000740836 [0,2,0,0,0,0|2,0,0]=4 12080 B10R0.1 C=CC[C@@H](C)OCCCOC 7a_100000731007_100000740836 [0,2,0,0,0,0|2,0,0]=4 12081 B10R0.1 C=CC[C@@H](C)OCCOCC 34a_100000731007_100000210147 [0,2,0,0,0,0|2,0,0]=4 12082 B10R0.1 C=CC[C@@H](C)OCCOCC 7a_100000731007_100011215890 [0,2,0,0,0,0|2,0,0]=4 12083 B10R0.1 C=CC[C@@H](C)OCCSCC 34a_100000731007_100000757381 [0,2,0,0,0,0|2,0,0]=4 12084 B10R0.1 C=CC[C@@H](C)OCCSCC 7a_100000731007_100000757381 [0,2,0,0,0,0|2,0,0]=4 12085 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,2,0,0,0,0|1,0,0]=3 12086 B10R0.1 C=CC[C@@H](N)COCCCF 34a_100020615467_100011934791 [0,2,0,0,0,0|2,0,0]=4 12087 B10R0.1 C=CC[C@@H](N)COCCCO 34a_100020615467_100000230001 [0,2,0,0,0,0|2,0,0]=4 12088 B10R0.1 C=CC[C@@H](N)COCCOC 34a_100020615467_100011201679 [0,2,0,0,0,0|2,0,0]=4 12089 B10R0.1 C=CC[C@@H](N)COCCSC 34a_100020615467_100000212216 [0,2,0,0,0,0|2,0,0]=4 12090 B10R0.1 C=COCCNC(C)CCC 2230a_100000741246_100000039644 [0,2,0,0,0,0|2,0,0]=4 12091 B10R0.1 C=COCCOC(C)CCC 34a_100000033082_100000766640 [0,2,0,0,0,0|2,0,0]=4 12092 B10R0.1 C=COCCOC(C)CCC 34a_100000764384_100000039644 [0,2,0,0,0,0|2,0,0]=4 12093 B10R0.1 C=COCCOC(C)CCC 7a_100000764384_100000039644 [0,2,0,0,0,0|2,0,0]=4 12094 B10R0.1 C=COCCSC(C)CCC 62a_100000039644_100000766640 [0,2,0,0,0,0|2,0,0]=4 12095 B10R0.1 C=COCCSC(C)CCC 62a_100000766640_100000039644 [0,2,0,0,0,0|2,0,0]=4 12096 B10R0.1 CC(CC#N)SCCCC=O 62a_100009813641_200011292268 [0,2,0,0,0,0|1,0,1]=4 12097 B10R0.1 CC(CC#N)SCCCC=O 62a_200011292268_100009813641 [0,2,0,0,0,0|1,0,1]=4 12098 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [0,2,0,0,0,0|1,0,0]=3 12099 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [0,2,0,0,0,0|1,0,0]=3 12100 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|1,0,1]=4 12101 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [0,2,0,0,0,0|1,0,1]=4 12102 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [0,2,0,0,0,0|1,0,1]=4 12103 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [0,2,0,0,0,0|1,0,1]=4 12104 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [0,2,0,0,0,0|1,0,1]=4 12105 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [0,2,0,0,0,0|1,0,1]=4 12106 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,2,0,0,0,0|1,0,1]=4 12107 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|1,0,1]=4 12108 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|0,0,2]=4 12109 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|0,0,2]=4 12110 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|2,0,0]=4 12111 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,2,0,0,0,0|1,0,1]=4 12112 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,2,0,0,0,0|1,0,1]=4 12113 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,2,0,0,0,0|1,0,1]=4 12114 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [0,2,0,0,0,0|1,0,1]=4 12115 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [0,2,0,0,0,0|1,0,1]=4 12116 B10R0.1 CCCC(C)CCOCC#N 7a_100011217855_100011215382 [0,2,0,0,0,0|1,0,1]=4 12117 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [0,2,0,0,0,0|0,0,0]=2 12118 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [0,2,0,0,0,0|0,0,0]=2 12119 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [0,2,0,0,0,0|1,0,1]=4 12120 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [0,2,0,0,0,0|1,0,1]=4 12121 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,2,0,0,0,0|0,0,2]=4 12122 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,2,0,0,0,0|0,0,2]=4 12123 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [0,2,0,0,0,0|2,0,0]=4 12124 B10R0.1 CCCC(C)CNCCC#N 270004a_100000720768_100000243154 [0,2,0,0,0,0|1,0,1]=4 12125 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [0,2,0,0,0,0|1,0,1]=4 12126 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [0,2,0,0,0,0|1,0,1]=4 12127 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [0,2,0,0,0,0|1,0,1]=4 12128 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [0,2,0,0,0,0|0,0,2]=4 12129 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [0,2,0,0,0,0|2,0,0]=4 12130 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [0,2,0,0,0,0|2,0,0]=4 12131 B10R0.1 CCCC(C)CNCCSC 2230a_100020590264_100011216630 [0,2,0,0,0,0|2,0,0]=4 12132 B10R0.1 CCCC(C)CNCCSC 270004a_100020590264_100000243154 [0,2,0,0,0,0|2,0,0]=4 12133 B10R0.1 CCCC(C)COCCC#N 7a_100000688023_100000184422 [0,2,0,0,0,0|1,0,1]=4 12134 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [0,2,0,0,0,0|1,0,1]=4 12135 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [0,2,0,0,0,0|1,0,1]=4 12136 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [0,2,0,0,0,0|1,0,1]=4 12137 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [0,2,0,0,0,0|1,0,1]=4 12138 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [0,2,0,0,0,0|1,0,1]=4 12139 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [0,2,0,0,0,0|1,0,1]=4 12140 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [0,2,0,0,0,0|0,0,2]=4 12141 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [0,2,0,0,0,0|0,0,2]=4 12142 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [0,2,0,0,0,0|2,0,0]=4 12143 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [0,2,0,0,0,0|2,0,0]=4 12144 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [0,2,0,0,0,0|2,0,0]=4 12145 B10R0.1 CCCC(C)COCCON 34a_100000700252_100011216630 [0,2,0,0,0,0|2,0,0]=4 12146 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [0,2,0,0,0,0|2,0,0]=4 12147 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [0,2,0,0,0,0|2,0,0]=4 12148 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [0,2,0,0,0,0|2,0,0]=4 12149 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [0,2,0,0,0,0|2,0,0]=4 12150 B10R0.1 CCCC(C)CSCCC#N 62a_100011215226_100011216630 [0,2,0,0,0,0|1,0,1]=4 12151 B10R0.1 CCCC(C)CSCCC#N 62a_100011216630_100011215226 [0,2,0,0,0,0|1,0,1]=4 12152 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [0,2,0,0,0,0|1,0,1]=4 12153 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [0,2,0,0,0,0|1,0,1]=4 12154 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [0,2,0,0,0,0|0,0,2]=4 12155 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [0,2,0,0,0,0|0,0,2]=4 12156 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [0,2,0,0,0,0|2,0,0]=4 12157 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [0,2,0,0,0,0|2,0,0]=4 12158 B10R0.1 CCCC(C)CSCCSC 62a_100000212216_100011216630 [0,2,0,0,0,0|2,0,0]=4 12159 B10R0.1 CCCC(C)CSCCSC 62a_100011216630_100000751147 [0,2,0,0,0,0|2,0,0]=4 12160 B10R0.1 CCCC(C)NCCCC#N 2230a_100000741246_100000687738 [0,2,0,0,0,0|1,0,1]=4 12161 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [0,2,0,0,0,0|0,0,0]=2 12162 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [0,2,0,0,0,0|1,0,1]=4 12163 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [0,2,0,0,0,0|0,0,2]=4 12164 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [0,2,0,0,0,0|0,0,2]=4 12165 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [0,2,0,0,0,0|0,0,2]=4 12166 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [0,2,0,0,0,0|0,0,2]=4 12167 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [0,2,0,0,0,0|2,0,0]=4 12168 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [0,2,0,0,0,0|2,0,0]=4 12169 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [0,2,0,0,0,0|2,0,0]=4 12170 B10R0.1 CCCC(C)NCCCSC 2230a_100000749238_100000766640 [0,2,0,0,0,0|2,0,0]=4 12171 B10R0.1 CCCC(C)NCCCSC 270004a_100000749238_100000211909 [0,2,0,0,0,0|2,0,0]=4 12172 B10R0.1 CCCC(C)OCCCC#N 7a_100000764384_100000687738 [0,2,0,0,0,0|1,0,1]=4 12173 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,2,0,0,0,0|0,0,0]=2 12174 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,2,0,0,0,0|1,0,1]=4 12175 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,2,0,0,0,0|1,0,1]=4 12176 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,2,0,0,0,0|1,0,1]=4 12177 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,2,0,0,0,0|1,0,1]=4 12178 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,2,0,0,0,0|1,0,1]=4 12179 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,2,0,0,0,0|1,0,1]=4 12180 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,2,0,0,0,0|1,0,1]=4 12181 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,2,0,0,0,0|1,0,1]=4 12182 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,2,0,0,0,0|1,0,1]=4 12183 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,2,0,0,0,0|0,0,2]=4 12184 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,2,0,0,0,0|0,0,2]=4 12185 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,2,0,0,0,0|2,0,0]=4 12186 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,2,0,0,0,0|2,0,0]=4 12187 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,2,0,0,0,0|2,0,0]=4 12188 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,2,0,0,0,0|2,0,0]=4 12189 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,2,0,0,0,0|2,0,0]=4 12190 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,2,0,0,0,0|2,0,0]=4 12191 B10R0.1 CCCC(C)SCCCC#N 62a_100000687738_100000766640 [0,2,0,0,0,0|1,0,1]=4 12192 B10R0.1 CCCC(C)SCCCC#N 62a_100000766640_100000687738 [0,2,0,0,0,0|1,0,1]=4 12193 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [0,2,0,0,0,0|0,0,0]=2 12194 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [0,2,0,0,0,0|0,0,0]=2 12195 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [0,2,0,0,0,0|1,0,1]=4 12196 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [0,2,0,0,0,0|1,0,1]=4 12197 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [0,2,0,0,0,0|0,0,2]=4 12198 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [0,2,0,0,0,0|0,0,2]=4 12199 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [0,2,0,0,0,0|2,0,0]=4 12200 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [0,2,0,0,0,0|2,0,0]=4 12201 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|1,0,1]=4 12202 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|1,0,1]=4 12203 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|1,0,1]=4 12204 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|1,0,1]=4 12205 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|1,0,1]=4 12206 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|1,0,1]=4 12207 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|1,0,1]=4 12208 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|1,0,1]=4 12209 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|0,0,2]=4 12210 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|0,0,2]=4 12211 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|2,0,0]=4 12212 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|2,0,0]=4 12213 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,2,0,0,0,0|1,0,1]=4 12214 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,2,0,0,0,0|1,0,1]=4 12215 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,2,0,0,0,0|1,0,1]=4 12216 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,2,0,0,0,0|1,0,1]=4 12217 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,2,0,0,0,0|1,0,1]=4 12218 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,2,0,0,0,0|1,0,1]=4 12219 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,2,0,0,0,0|1,0,1]=4 12220 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,2,0,0,0,0|1,0,1]=4 12221 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,2,0,0,0,0|1,0,1]=4 12222 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,2,0,0,0,0|1,0,1]=4 12223 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,2,0,0,0,0|1,0,1]=4 12224 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,2,0,0,0,0|1,0,1]=4 12225 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,2,0,0,0,0|1,0,1]=4 12226 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,2,0,0,0,0|1,0,1]=4 12227 B10R0.1 CCCCCCN(C)CC#N 2230a_100000748184_100000210314 [0,2,0,0,0,0|1,0,1]=4 12228 B10R0.1 CCCCCCN(C)CC#N 2230a_106256046315_100011215382 [0,2,0,0,0,0|1,0,1]=4 12229 B10R0.1 CCCCCCN(C)CC#N 269982a_106256046315_100011214920 [0,2,0,0,0,0|1,0,1]=4 12230 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,2,0,0,0,0|0,0,0]=2 12231 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,2,0,0,0,0|0,0,0]=2 12232 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,2,0,0,0,0|1,0,1]=4 12233 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,2,0,0,0,0|1,0,1]=4 12234 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,2,0,0,0,0|1,0,1]=4 12235 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,2,0,0,0,0|1,0,1]=4 12236 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,2,0,0,0,0|1,0,1]=4 12237 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,2,0,0,0,0|1,0,1]=4 12238 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,2,0,0,0,0|0,0,2]=4 12239 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,2,0,0,0,0|0,0,2]=4 12240 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,2,0,0,0,0|0,0,2]=4 12241 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,2,0,0,0,0|0,0,2]=4 12242 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 12243 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 12244 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,2,0,0,0,0|2,0,0]=4 12245 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,2,0,0,0,0|2,0,0]=4 12246 B10R0.1 CCCCCNC(C)CC#N 2230a_100000209983_100009813641 [0,2,0,0,0,0|1,0,1]=4 12247 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,2,0,0,0,0|1,0,1]=4 12248 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,2,0,0,0,0|1,0,1]=4 12249 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,2,0,0,0,0|1,0,1]=4 12250 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,2,0,0,0,0|0,0,2]=4 12251 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,2,0,0,0,0|2,0,0]=4 12252 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,2,0,0,0,0|2,0,0]=4 12253 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,2,0,0,0,0|2,0,0]=4 12254 B10R0.1 CCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210326 [0,2,0,0,0,0|1,0,1]=4 12255 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,2,0,0,0,0|0,0,2]=4 12256 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,2,0,0,0,0|0,0,2]=4 12257 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,2,0,0,0,0|2,0,0]=4 12258 B10R0.1 CCCCCOC(C)CC#N 7a_100000210253_100009813641 [0,2,0,0,0,0|1,0,1]=4 12259 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,2,0,0,0,0|1,0,1]=4 12260 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,2,0,0,0,0|1,0,1]=4 12261 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,2,0,0,0,0|1,0,1]=4 12262 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,2,0,0,0,0|1,0,1]=4 12263 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,2,0,0,0,0|1,0,1]=4 12264 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,2,0,0,0,0|0,0,2]=4 12265 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,2,0,0,0,0|0,0,2]=4 12266 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,2,0,0,0,0|2,0,0]=4 12267 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,2,0,0,0,0|2,0,0]=4 12268 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,2,0,0,0,0|2,0,0]=4 12269 B10R0.1 CCCCCSC(C)CC#N 62a_100000210326_100009813641 [0,2,0,0,0,0|1,0,1]=4 12270 B10R0.1 CCCCCSC(C)CC#N 62a_100009813641_100000210326 [0,2,0,0,0,0|1,0,1]=4 12271 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,2,0,0,0,0|1,0,1]=4 12272 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,2,0,0,0,0|1,0,1]=4 12273 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,2,0,0,0,0|0,0,2]=4 12274 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,2,0,0,0,0|0,0,2]=4 12275 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,2,0,0,0,0|2,0,0]=4 12276 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,2,0,0,0,0|2,0,0]=4 12277 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,2,0,0,0,0|1,0,1]=4 12278 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,2,0,0,0,0|1,0,1]=4 12279 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,2,0,0,0,0|1,0,1]=4 12280 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,2,0,0,0,0|2,0,0]=4 12281 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,2,0,0,0,0|2,0,0]=4 12282 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,2,0,0,0,0|2,0,0]=4 12283 B10R0.1 CCCCNC[C@@H](O)CC#N 2230a_100000102301_100000001066 [0,2,0,0,0,0|1,0,1]=4 12284 B10R0.1 CCCCNC[C@@H](O)CC#N 7a_106832991798_100000001066 [0,2,0,0,0,0|1,0,1]=4 12285 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,2,0,0,0,0|1,0,1]=4 12286 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,2,0,0,0,0|1,0,1]=4 12287 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,2,0,0,0,0|1,0,1]=4 12288 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,2,0,0,0,0|1,0,1]=4 12289 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,2,0,0,0,0|1,0,1]=4 12290 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,2,0,0,0,0|2,0,0]=4 12291 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,2,0,0,0,0|2,0,0]=4 12292 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,2,0,0,0,0|2,0,0]=4 12293 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,2,0,0,0,0|1,0,1]=4 12294 B10R0.1 CCCCOC[C@@H](O)CC#N 7a_100000210227_100000001066 [0,2,0,0,0,0|1,0,1]=4 12295 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,2,0,0,0,0|1,0,1]=4 12296 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,2,0,0,0,0|1,0,1]=4 12297 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,2,0,0,0,0|2,0,0]=4 12298 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,2,0,0,0,0|2,0,0]=4 12299 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000001066_100000210210 [0,2,0,0,0,0|1,0,1]=4 12300 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000210211_100000001066 [0,2,0,0,0,0|1,0,1]=4 12301 B10R0.1 CCCN(C)CCCCC#N 2230a_100000747261_100000211819 [0,2,0,0,0,0|1,0,1]=4 12302 B10R0.1 CCCN(C)CCCCC#N 269982a_100000747261_100011219923 [0,2,0,0,0,0|1,0,1]=4 12303 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [0,2,0,0,0,0|0,0,0]=2 12304 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [0,2,0,0,0,0|0,0,0]=2 12305 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,2,0,0,0,0|1,0,1]=4 12306 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,2,0,0,0,0|1,0,1]=4 12307 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,2,0,0,0,0|0,0,2]=4 12308 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,2,0,0,0,0|0,0,2]=4 12309 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,2,0,0,0,0|0,0,2]=4 12310 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,2,0,0,0,0|0,0,2]=4 12311 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,2,0,0,0,0|2,0,0]=4 12312 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,2,0,0,0,0|2,0,0]=4 12313 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,2,0,0,0,0|1,0,1]=4 12314 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,2,0,0,0,0|1,0,1]=4 12315 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,2,0,0,0,0|1,0,1]=4 12316 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [0,2,0,0,0,0|0,0,0]=2 12317 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [0,2,0,0,0,0|1,0,1]=4 12318 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,2,0,0,0,0|0,0,2]=4 12319 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [0,2,0,0,0,0|2,0,0]=4 12320 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [0,2,0,0,0,0|1,0,1]=4 12321 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [0,2,0,0,0,0|0,0,2]=4 12322 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [0,2,0,0,0,0|2,0,0]=4 12323 B10R0.1 CCC[C@H](N)COCCSC 34a_100000732646_100000212216 [0,2,0,0,0,0|2,0,0]=4 12324 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [0,2,0,0,0,0|1,0,1]=4 12325 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [0,2,0,0,0,0|1,0,1]=4 12326 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [0,2,0,0,0,0|1,0,1]=4 12327 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,2,0,0,0,0|1,0,1]=4 12328 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,2,0,0,0,0|1,0,1]=4 12329 B10R0.1 CN(CC#N)CCCCC=O 2230a_100000748184_100000139335 [0,2,0,0,0,0|1,0,1]=4 12330 B10R0.1 CN(CC=O)CCCCCO 2230a_100000722520_200015260668 [0,2,0,0,0,0|1,0,0]=3 12331 B10R0.1 CN(CC=O)CCCCCO 269982a_100000722520_200015260668 [0,2,0,0,0,0|1,0,0]=3 12332 B10R0.1 CN(CC=O)CCOCCO 2230a_100000228057_200015260668 [0,2,0,0,0,0|2,0,0]=4 12333 B10R0.1 CN(CC=O)CCOCCO 269982a_100000228057_200015260668 [0,2,0,0,0,0|2,0,0]=4 12334 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [0,2,0,0,0,0|1,0,0]=3 12335 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [0,2,0,0,0,0|1,0,0]=3 12336 B10R0.1 COCC(C)SCCCC=O 62a_100000765312_200011292268 [0,2,0,0,0,0|1,0,0]=3 12337 B10R0.1 COCC(C)SCCCC=O 62a_200011292268_100000765312 [0,2,0,0,0,0|1,0,0]=3 12338 B10R0.1 COC[C@@H](C)NCCCC=O 2230a_100000764878_200011292268 [0,2,0,0,0,0|1,0,0]=3 12339 B10R0.1 C[C@@H](CC#N)NCCCC=O 2230a_100016994482_200011292268 [0,2,0,0,0,0|1,0,1]=4 12340 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [0,2,0,0,0,0|1,0,0]=3 12341 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,2,0,0,0,0|1,0,1]=4 12342 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,2,0,0,0,0|1,0,1]=4 12343 B10R0.2 C=CCN(C)CC(C)CCC 2230a_100000225617_100011216630 [0,2,0,0,0,0|2,0,0]=4 12344 B10R0.2 C=CCN(C)CC(C)CCC 269982a_100000225617_100011216630 [0,2,0,0,0,0|2,0,0]=4 12345 B10R0.2 C=CCN(C)CC(C)CCC 270004a_100000225617_100000243154 [0,2,0,0,0,0|2,0,0]=4 12346 B10R0.2 C=CC[C@@H](C)OC(C)CCC 34a_100000731007_100000766640 [0,2,0,0,0,0|2,0,0]=4 12347 B10R0.2 C=CC[C@@H](C)OC(C)CCC 7a_100000731007_100000766640 [0,2,0,0,0,0|2,0,0]=4 12348 B10R0.2 COCC(O)CN(C)CC=O 2230a_100000739405_200015260668 [0,2,0,0,0,0|2,0,0]=4 12349 B10R0.2 COCC(O)CN(C)CC=O 269982a_100000739405_200015260668 [0,2,0,0,0,0|2,0,0]=4 12350 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,2,0,0,0,0|1,0,1]=4 12351 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,2,0,0,0,0|1,0,1]=4 12352 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,2,0,0,0,0|1,0,1]=4 12353 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,2,0,0,0,0|1,0,1]=4 12354 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000210906_100000754431 [0,2,0,0,0,0|1,0,1]=4 12355 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000749702_100000766640 [0,2,0,0,0,0|1,0,1]=4 12356 B10R0.19 C=CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000754431 [0,2,0,0,0,0|1,0,1]=4 12357 B10R0.19 C=CCCC(C)N(C)CCC 270004a_100000747261_100000762624 [0,2,0,0,0,0|2,0,0]=4 12358 B10R0.19 C=CCCN(C)C(C)CCC 2230a_100020639649_100000766640 [0,2,0,0,0,0|2,0,0]=4 12359 B10R0.19 C=CCCN(C)C(C)CCC 269982a_100020639649_100000766640 [0,2,0,0,0,0|2,0,0]=4 12360 B10R0.19 C=CCCN(C)C(C)CCC 270004a_100020639649_100000211909 [0,2,0,0,0,0|2,0,0]=4 12361 B10R0.19 C=CCN(C)C(C)CCCC 2230a_100000225617_200011215066 [0,2,0,0,0,0|2,0,0]=4 12362 B10R0.19 C=CCN(C)C(C)CCCC 269982a_100000225617_200011215066 [0,2,0,0,0,0|2,0,0]=4 12363 B10R0.19 C=CCN(C)C(C)CCCC 270004a_100000225617_100000210087 [0,2,0,0,0,0|2,0,0]=4 12364 B10R0.19 C=CCNC(C)C(C)CCC 270004a_100020586998_100011216282 [0,2,0,0,0,0|2,0,0]=4 12365 B10R0.19 C=CCOC(C)C(C)CCC 34a_100000708338_100015514636 [0,2,0,0,0,0|2,0,0]=4 12366 B10R0.19 C=CCOC(C)C(C)CCC 7a_100000708338_100015514636 [0,2,0,0,0,0|2,0,0]=4 12367 B10R0.19 CCCC(C)C(C)OCC=O 34a_100000708338_200009817547 [0,2,0,0,0,0|1,0,0]=3 12368 B10R0.19 CCCC(C)C(C)OCC=O 7a_100000708338_200015260668 [0,2,0,0,0,0|1,0,0]=3 12369 B10R0.24 C#CC(CCC)OCCC=C 34a_200011217317_100000754431 [0,2,0,0,0,0|2,0,0]=4 12370 B10R0.24 C#CC(CCC)OCCC=C 7a_200011217317_100000754431 [0,2,0,0,0,0|2,0,0]=4 12371 B10R0.24 C=CCC(C=C)OCCCC 34a_100000038011_100000210210 [0,2,0,0,0,0|2,0,0]=4 12372 B10R0.24 C=CCC(C=C)OCCCC 7a_100000038011_100000210211 [0,2,0,0,0,0|2,0,0]=4 12373 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [0,2,0,0,0,0|1,0,0]=3 12374 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [0,2,0,0,0,0|1,0,0]=3 12375 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [0,2,0,0,0,0|1,0,0]=3 12376 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [0,2,0,0,0,0|1,0,0]=3 12377 B10R0.24 C=CCCCN(CC)CCC 2230a_100000226822_100011713584 [0,2,0,0,0,0|2,0,0]=4 12378 B10R0.24 C=CCCCN(CC)CCC 269982a_100000226822_100000757094 [0,2,0,0,0,0|2,0,0]=4 12379 B10R0.24 C=CCCNC(CC)CCC 2230a_100000747048_100000754431 [0,2,0,0,0,0|2,0,0]=4 12380 B10R0.24 C=CCCNC(CC)CCC 270004a_100015191253_100000687865 [0,2,0,0,0,0|2,0,0]=4 12381 B10R0.24 C=CCCN[C@H](CO)CCC 2230a_100000732646_100000754431 [0,2,0,0,0,0|2,0,0]=4 12382 B10R0.24 C=CCCN[C@H](CO)CCC 34a_100000732646_100000754431 [0,2,0,0,0,0|2,0,0]=4 12383 B10R0.24 C=CCCOC(C#N)CCC 34a_100000686963_100000754431 [0,2,0,0,0,0|2,0,0]=4 12384 B10R0.24 C=CCCOC(C#N)CCC 7a_100000686963_100000754431 [0,2,0,0,0,0|2,0,0]=4 12385 B10R0.24 C=CCCOC(C=C)CCC 34a_100011216692_100000754431 [0,2,0,0,0,0|2,0,0]=4 12386 B10R0.24 C=CCCOC(C=C)CCC 7a_100011216692_100000754431 [0,2,0,0,0,0|2,0,0]=4 12387 B10R0.24 C=CCCOC(CC)CCC 34a_100000687864_100000754431 [0,2,0,0,0,0|2,0,0]=4 12388 B10R0.24 C=CCCOC(CC)CCC 7a_100000687864_100000754431 [0,2,0,0,0,0|2,0,0]=4 12389 B10R0.24 C=CCCSC(CC)CCC 62a_100000754431_100011219200 [0,2,0,0,0,0|2,0,0]=4 12390 B10R0.24 C=CCCSC(CC)CCC 62a_100011219200_100000754431 [0,2,0,0,0,0|2,0,0]=4 12391 B10R0.24 C=CC[C@H](CO)NCCCC 2230a_100020615467_100000210211 [0,2,0,0,0,0|2,0,0]=4 12392 B10R0.24 CCCCCC(CCC)NC 270004a_106832991635_200011216343 [0,2,0,0,0,0|1,0,1]=4 12393 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [0,2,0,0,0,0|1,0,1]=4 12394 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [0,2,0,0,0,0|1,0,1]=4 12395 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [0,2,0,0,0,0|1,0,1]=4 12396 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [0,2,0,0,0,0|1,0,1]=4 12397 B10R0.24 CCCN(CC)CCCC=O 2230a_100000226822_200011292268 [0,2,0,0,0,0|1,0,0]=3 12398 B10R0.24 CCCN(CC)CCCC=O 269982a_100000226822_200011292268 [0,2,0,0,0,0|1,0,0]=3 12399 B10R0.24 CCN(CC=O)CCCCO 2230a_100011217355_200015260668 [0,2,0,0,0,0|2,0,0]=4 12400 B10R0.24 CCN(CC=O)CCCCO 269982a_100011217355_200015260668 [0,2,0,0,0,0|2,0,0]=4 12401 B10R0.24 CCN(CCO)CCCC=O 2230a_100000210973_200011292268 [0,2,0,0,0,0|2,0,0]=4 12402 B10R0.24 CCN(CCO)CCCC=O 269982a_100000210973_200011292268 [0,2,0,0,0,0|2,0,0]=4 12403 B10R0.24 CCOC(CC)CNCC=O 2230a_100015183923_200015260668 [0,2,0,0,0,0|2,0,0]=4 12404 B10R0.24 CCOC(CC)CNCC=O 34a_100015183923_200009817547 [0,2,0,0,0,0|2,0,0]=4 12405 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|1,0,1]=4 12406 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|1,0,1]=4 12407 B10R0.83 C=CC(C)N(C)CCCCC 269982a_100000223495_100011215867 [0,2,0,0,0,0|2,0,0]=4 12408 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [0,2,0,0,0,0|1,0,1]=4 12409 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [0,2,0,0,0,0|1,0,1]=4 12410 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,2,0,0,0,0|1,0,1]=4 12411 B10R0.83 C=CCCCN(C)C(C)CC 2230a_100000741768_100011713584 [0,2,0,0,0,0|2,0,0]=4 12412 B10R0.83 C=CCCCN(C)C(C)CC 269982a_100000741768_100000757094 [0,2,0,0,0,0|2,0,0]=4 12413 B10R0.83 C=CCCNC(C)C(C)CC 269862a_100015191253_100000210599 [0,2,0,0,0,0|2,0,0]=4 12414 B10R0.83 C=CCCNC(C)C(C)CC 270004a_100015191253_100000210599 [0,2,0,0,0,0|2,0,0]=4 12415 B10R0.83 C=CCCOC(C)C(C)CC 7a_100011215189_100000754431 [0,2,0,0,0,0|2,0,0]=4 12416 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 34a_100015455354_100000210210 [0,2,0,0,0,0|2,0,0]=4 12417 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 7a_100015455354_100000210211 [0,2,0,0,0,0|2,0,0]=4 12418 B10R0.83 CC(CO)N(C)CCCC=O 2230a_100000693034_200011292268 [0,2,0,0,0,0|2,0,0]=4 12419 B10R0.83 CC(CO)N(C)CCCC=O 269982a_100000693034_200011292268 [0,2,0,0,0,0|2,0,0]=4 12420 B10R0.83 CCC(C)N(C)CCCC=O 2230a_100000741768_200011292268 [0,2,0,0,0,0|1,0,0]=3 12421 B10R0.83 CCC(C)N(C)CCCC=O 269982a_100000741768_200011292268 [0,2,0,0,0,0|1,0,0]=3 12422 B10R0.83 CCN(C)C(C)COCC=O 7a_100000732741_200015260668 [0,2,0,0,0,0|2,0,0]=4 12423 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,2,0,0,0,0|1,0,1]=4 12424 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,2,0,0,0,0|1,0,1]=4 12425 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,2,0,0,0,0|1,0,1]=4 12426 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,2,0,0,0,0|1,0,1]=4 12427 B10R0.91 C#CCCCN(C)CCCC 2230a_100000207549_100000731252 [0,2,0,0,0,0|1,0,1]=4 12428 B10R0.91 C#CCCCN(C)CCCC 269982a_100000207549_100011215417 [0,2,0,0,0,0|1,0,1]=4 12429 B10R0.91 C#CCCN(C)CCCCC 2230a_100000223495_100000688953 [0,2,0,0,0,0|1,0,1]=4 12430 B10R0.91 C#CCCN(C)CCCCC 269982a_100000223495_100000730999 [0,2,0,0,0,0|1,0,1]=4 12431 B10R0.91 C#CCCNC(C)CCCC 2230a_100000126638_100000688953 [0,2,0,0,0,0|1,0,1]=4 12432 B10R0.91 C#CCCNC(C)CCCC 34a_100000755551_200011215066 [0,2,0,0,0,0|1,0,1]=4 12433 B10R0.91 C#CCCOC(C)CCCC 34a_100000687866_100000688953 [0,2,0,0,0,0|1,0,1]=4 12434 B10R0.91 C#CCCOC(C)CCCC 34a_100011215631_200011215066 [0,2,0,0,0,0|1,0,1]=4 12435 B10R0.91 C#CCCOC(C)CCCC 7a_100000687866_100000688953 [0,2,0,0,0,0|1,0,1]=4 12436 B10R0.91 C#CCCSC(C)CCCC 62a_100000688953_200011215066 [0,2,0,0,0,0|1,0,1]=4 12437 B10R0.91 C#CCCSC(C)CCCC 62a_200011215066_100000688953 [0,2,0,0,0,0|1,0,1]=4 12438 B10R0.91 C#CCNC(C)CCCCC 2230a_100000211957_100000038162 [0,2,0,0,0,0|1,0,1]=4 12439 B10R0.91 C#CCNC(C)CCCCC 34a_100000212058_200011218191 [0,2,0,0,0,0|1,0,1]=4 12440 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [0,2,0,0,0,0|1,0,1]=4 12441 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [0,2,0,0,0,0|1,0,1]=4 12442 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [0,2,0,0,0,0|1,0,1]=4 12443 B10R0.91 C#CCOCC(C)CCCC 34a_100011995851_100000184674 [0,2,0,0,0,0|1,0,1]=4 12444 B10R0.91 C#CCOCC(C)CCCC 7a_100011995851_100000038162 [0,2,0,0,0,0|1,0,1]=4 12445 B10R0.91 C#CCOC[C@@H](N)CCCC 34a_100011934283_100000184674 [0,2,0,0,0,0|1,0,1]=4 12446 B10R0.91 C#CCSC(C)CCCCC 62a_100000038162_200011218191 [0,2,0,0,0,0|1,0,1]=4 12447 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|1,0,1]=4 12448 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,2,0,0,0,0|1,0,1]=4 12449 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [0,2,0,0,0,0|1,0,1]=4 12450 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [0,2,0,0,0,0|1,0,1]=4 12451 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [0,2,0,0,0,0|1,0,1]=4 12452 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [0,2,0,0,0,0|1,0,1]=4 12453 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [0,2,0,0,0,0|1,0,1]=4 12454 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|1,0,0]=3 12455 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|1,0,0]=3 12456 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,2,0,0,0,0|1,0,1]=4 12457 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,2,0,0,0,0|1,0,1]=4 12458 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,2,0,0,0,0|1,0,1]=4 12459 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,2,0,0,0,0|1,0,1]=4 12460 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,2,0,0,0,0|1,0,1]=4 12461 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,2,0,0,0,0|1,0,1]=4 12462 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,2,0,0,0,0|1,0,1]=4 12463 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,2,0,0,0,0|1,0,1]=4 12464 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,2,0,0,0,0|1,0,1]=4 12465 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,2,0,0,0,0|1,0,1]=4 12466 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,2,0,0,0,0|1,0,1]=4 12467 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,2,0,0,0,0|1,0,1]=4 12468 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,2,0,0,0,0|1,0,1]=4 12469 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,2,0,0,0,0|1,0,1]=4 12470 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,2,0,0,0,0|1,0,1]=4 12471 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,2,0,0,0,0|1,0,1]=4 12472 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,2,0,0,0,0|1,0,0]=3 12473 B10R0.91 C=CCCC(C)NCCCF 270004a_100015189416_100000762624 [0,2,0,0,0,0|2,0,0]=4 12474 B10R0.91 C=CCCC(C)NCCCO 270004a_100000182051_100000762624 [0,2,0,0,0,0|2,0,0]=4 12475 B10R0.91 C=CCCC(C)NCCOC 270004a_100000209980_100000762624 [0,2,0,0,0,0|2,0,0]=4 12476 B10R0.91 C=CCCC(C)NCCSC 270004a_100020590264_100000762624 [0,2,0,0,0,0|2,0,0]=4 12477 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,2,0,0,0,0|1,0,0]=3 12478 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,2,0,0,0,0|1,0,0]=3 12479 B10R0.91 C=CCCC(C)OCCCF 34a_100000765329_100011934791 [0,2,0,0,0,0|2,0,0]=4 12480 B10R0.91 C=CCCC(C)OCCCF 7a_100000765329_100011934791 [0,2,0,0,0,0|2,0,0]=4 12481 B10R0.91 C=CCCC(C)OCCCO 34a_100000765329_100000230001 [0,2,0,0,0,0|2,0,0]=4 12482 B10R0.91 C=CCCC(C)OCCCO 7a_100000765329_100011215043 [0,2,0,0,0,0|2,0,0]=4 12483 B10R0.91 C=CCCC(C)OCCOC 34a_100000765329_100011201679 [0,2,0,0,0,0|2,0,0]=4 12484 B10R0.91 C=CCCC(C)OCCOC 7a_100000765329_100000233755 [0,2,0,0,0,0|2,0,0]=4 12485 B10R0.91 C=CCCC(C)OCCSC 34a_100000765329_100000212216 [0,2,0,0,0,0|2,0,0]=4 12486 B10R0.91 C=CCCC(C)OCCSC 7a_100000765329_100000212216 [0,2,0,0,0,0|2,0,0]=4 12487 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,2,0,0,0,0|1,0,0]=3 12488 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,2,0,0,0,0|1,0,0]=3 12489 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [0,2,0,0,0,0|1,0,1]=4 12490 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,2,0,0,0,0|1,0,1]=4 12491 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,2,0,0,0,0|1,0,1]=4 12492 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,2,0,0,0,0|1,0,1]=4 12493 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [0,2,0,0,0,0|1,0,1]=4 12494 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [0,2,0,0,0,0|1,0,1]=4 12495 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,2,0,0,0,0|1,0,1]=4 12496 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [0,2,0,0,0,0|1,0,1]=4 12497 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [0,2,0,0,0,0|1,0,1]=4 12498 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [0,2,0,0,0,0|1,0,1]=4 12499 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [0,2,0,0,0,0|1,0,1]=4 12500 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [0,2,0,0,0,0|1,0,1]=4 12501 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [0,2,0,0,0,0|1,0,0]=3 12502 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [0,2,0,0,0,0|1,0,0]=3 12503 B10R0.91 C=CCCCN(C)CCCO 2230a_100000213112_100011713584 [0,2,0,0,0,0|2,0,0]=4 12504 B10R0.91 C=CCCCN(C)CCCO 269982a_100000213112_100000757094 [0,2,0,0,0,0|2,0,0]=4 12505 B10R0.91 C=CCCCN(C)CCOC 2230a_100000743101_100011713584 [0,2,0,0,0,0|2,0,0]=4 12506 B10R0.91 C=CCCCN(C)CCOC 269982a_100000743101_100000757094 [0,2,0,0,0,0|2,0,0]=4 12507 B10R0.91 C=CCCCN(C)CCSC 2230a_100000686725_100011713584 [0,2,0,0,0,0|2,0,0]=4 12508 B10R0.91 C=CCCCN(C)CCSC 269982a_100000686725_100000757094 [0,2,0,0,0,0|2,0,0]=4 12509 B10R0.91 C=CCCN(C)CCCC=O 2230a_100020639649_200011292268 [0,2,0,0,0,0|0,0,2]=4 12510 B10R0.91 C=CCCN(C)CCCC=O 269982a_100020639649_200011292268 [0,2,0,0,0,0|0,0,2]=4 12511 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,2,0,0,0,0|1,0,0]=3 12512 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,2,0,0,0,0|1,0,0]=3 12513 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,2,0,0,0,0|1,0,0]=3 12514 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,2,0,0,0,0|1,0,0]=3 12515 B10R0.91 C=CCCN(C)CCCCF 2230a_100020639649_100000729493 [0,2,0,0,0,0|2,0,0]=4 12516 B10R0.91 C=CCCN(C)CCCCF 269982a_100020639649_100000729493 [0,2,0,0,0,0|2,0,0]=4 12517 B10R0.91 C=CCCN(C)CCCCO 2230a_100000717598_100000754431 [0,2,0,0,0,0|2,0,0]=4 12518 B10R0.91 C=CCCN(C)CCCCO 2230a_100020639649_100000210776 [0,2,0,0,0,0|2,0,0]=4 12519 B10R0.91 C=CCCN(C)CCCCO 269982a_100000717598_100000754431 [0,2,0,0,0,0|2,0,0]=4 12520 B10R0.91 C=CCCN(C)CCCCO 269982a_100020639649_100000210776 [0,2,0,0,0,0|2,0,0]=4 12521 B10R0.91 C=CCCN(C)CCCOC 2230a_100000224831_100000754431 [0,2,0,0,0,0|2,0,0]=4 12522 B10R0.91 C=CCCN(C)CCCOC 2230a_100020639649_100000740836 [0,2,0,0,0,0|2,0,0]=4 12523 B10R0.91 C=CCCN(C)CCCOC 269982a_100000224831_100000754431 [0,2,0,0,0,0|2,0,0]=4 12524 B10R0.91 C=CCCN(C)CCCOC 269982a_100020639649_100000740836 [0,2,0,0,0,0|2,0,0]=4 12525 B10R0.91 C=CCCN(C)CCOCC 2230a_100020639649_100011215890 [0,2,0,0,0,0|2,0,0]=4 12526 B10R0.91 C=CCCN(C)CCOCC 269982a_100020639649_100011215890 [0,2,0,0,0,0|2,0,0]=4 12527 B10R0.91 C=CCCN(C)CCSCC 2230a_100020639649_100000757381 [0,2,0,0,0,0|2,0,0]=4 12528 B10R0.91 C=CCCN(C)CCSCC 269982a_100020639649_100000757381 [0,2,0,0,0,0|2,0,0]=4 12529 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [0,2,0,0,0,0|1,0,1]=4 12530 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [0,2,0,0,0,0|1,0,1]=4 12531 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [0,2,0,0,0,0|1,0,1]=4 12532 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [0,2,0,0,0,0|1,0,1]=4 12533 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [0,2,0,0,0,0|1,0,0]=3 12534 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [0,2,0,0,0,0|1,0,0]=3 12535 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [0,2,0,0,0,0|1,0,0]=3 12536 B10R0.91 C=CCCNC(C)CCOC 270004a_100015191253_100000742357 [0,2,0,0,0,0|2,0,0]=4 12537 B10R0.91 C=CCCNC(C)CCSC 270004a_100015191253_100011217047 [0,2,0,0,0,0|2,0,0]=4 12538 B10R0.91 C=CCCNC(C)CSCC 270004a_100015191253_200011216171 [0,2,0,0,0,0|2,0,0]=4 12539 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [0,2,0,0,0,0|1,0,0]=3 12540 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [0,2,0,0,0,0|1,0,0]=3 12541 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [0,2,0,0,0,0|1,0,0]=3 12542 B10R0.91 C=CCCOC(C)CCCCl 34a_200000718107_100000754431 [0,2,0,0,0,0|2,0,0]=4 12543 B10R0.91 C=CCCOC(C)CCCCl 7a_200000718107_100000754431 [0,2,0,0,0,0|2,0,0]=4 12544 B10R0.91 C=CCCOC(C)COCC 34a_100000718985_100000754431 [0,2,0,0,0,0|2,0,0]=4 12545 B10R0.91 C=CCCOC(C)COCC 7a_100000718985_100000754431 [0,2,0,0,0,0|2,0,0]=4 12546 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [0,2,0,0,0,0|1,0,0]=3 12547 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [0,2,0,0,0,0|1,0,0]=3 12548 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,2,0,0,0,0|1,0,1]=4 12549 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,2,0,0,0,0|1,0,1]=4 12550 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,2,0,0,0,0|1,0,1]=4 12551 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,2,0,0,0,0|1,0,0]=3 12552 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,2,0,0,0,0|1,0,0]=3 12553 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,2,0,0,0,0|1,0,0]=3 12554 B10R0.91 C=CCNC(C)CCCSC 270004a_100020586998_100011399439 [0,2,0,0,0,0|2,0,0]=4 12555 B10R0.91 C=CCNC(C)CCOCC 270004a_100020586998_200011216536 [0,2,0,0,0,0|2,0,0]=4 12556 B10R0.91 C=CCNC(C)CSCCC 270004a_100020586998_100011343953 [0,2,0,0,0,0|2,0,0]=4 12557 B10R0.91 C=CCNCC(C)OCCC 2230a_100015185124_100000210623 [0,2,0,0,0,0|2,0,0]=4 12558 B10R0.91 C=CCNCC(C)OCCC 34a_100015185124_100015514636 [0,2,0,0,0,0|2,0,0]=4 12559 B10R0.91 C=CCNCC(O)COCC 2230a_102515437182_100000210623 [0,2,0,0,0,0|2,0,0]=4 12560 B10R0.91 C=CCNCC(O)COCC 34a_102515437182_100015514636 [0,2,0,0,0,0|2,0,0]=4 12561 B10R0.91 C=CCNC[C@H](C)CCCO 2230a_100160569302_100000210623 [0,2,0,0,0,0|2,0,0]=4 12562 B10R0.91 C=CCNC[C@H](C)CCCO 34a_100160569302_100015514636 [0,2,0,0,0,0|2,0,0]=4 12563 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,2,0,0,0,0|1,0,0]=3 12564 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,2,0,0,0,0|1,0,0]=3 12565 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,2,0,0,0,0|1,0,0]=3 12566 B10R0.91 C=CCOC(C)CCCOC 34a_200011539412_100015514636 [0,2,0,0,0,0|2,0,0]=4 12567 B10R0.91 C=CCOC(C)CCCOC 7a_200011539412_100015514636 [0,2,0,0,0,0|2,0,0]=4 12568 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [0,2,0,0,0,0|1,0,0]=3 12569 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [0,2,0,0,0,0|1,0,0]=3 12570 B10R0.91 C=CCOC[C@@H](N)CCCC 34a_100011934283_100015514636 [0,2,0,0,0,0|1,0,0]=3 12571 B10R0.91 C=CCOC[C@@H](N)CCSC 34a_100011827619_100015514636 [0,2,0,0,0,0|2,0,0]=4 12572 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,2,0,0,0,0|1,0,0]=3 12573 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,2,0,0,0,0|1,0,0]=3 12574 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [0,2,0,0,0,0|1,0,1]=4 12575 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [0,2,0,0,0,0|1,0,1]=4 12576 B10R0.91 C=COCCN(C)CCCC 2230a_100000207549_100000039644 [0,2,0,0,0,0|2,0,0]=4 12577 B10R0.91 C=COCCN(C)CCCC 269982a_100000207549_100000039644 [0,2,0,0,0,0|2,0,0]=4 12578 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|1,0,1]=4 12579 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|1,0,1]=4 12580 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,2,0,0,0,0|1,0,1]=4 12581 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [0,2,0,0,0,0|1,0,1]=4 12582 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [0,2,0,0,0,0|1,0,1]=4 12583 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [0,2,0,0,0,0|1,0,1]=4 12584 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [0,2,0,0,0,0|1,0,1]=4 12585 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [0,2,0,0,0,0|1,0,1]=4 12586 B10R0.91 CCC#CCC(C)OCC=O 34a_200000035118_200009817547 [0,2,0,0,0,0|0,0,2]=4 12587 B10R0.91 CCC#CCC(C)OCC=O 7a_200000035118_200015260668 [0,2,0,0,0,0|0,0,2]=4 12588 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,2,0,0,0,0|1,0,1]=4 12589 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,2,0,0,0,0|1,0,1]=4 12590 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,2,0,0,0,0|1,0,1]=4 12591 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,2,0,0,0,0|0,0,2]=4 12592 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,2,0,0,0,0|0,0,2]=4 12593 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,2,0,0,0,0|2,0,0]=4 12594 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,2,0,0,0,0|2,0,0]=4 12595 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,2,0,0,0,0|2,0,0]=4 12596 B10R0.91 CCCCC(C)COCC#N 7a_100011995851_100011215382 [0,2,0,0,0,0|1,0,1]=4 12597 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [0,2,0,0,0,0|0,0,0]=2 12598 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [0,2,0,0,0,0|0,0,0]=2 12599 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,2,0,0,0,0|1,0,1]=4 12600 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,2,0,0,0,0|1,0,1]=4 12601 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [0,2,0,0,0,0|1,0,1]=4 12602 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [0,2,0,0,0,0|1,0,1]=4 12603 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [0,2,0,0,0,0|0,0,2]=4 12604 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [0,2,0,0,0,0|0,0,2]=4 12605 B10R0.91 CCCCC(C)COCSC 34a_100011995851_100011218213 [0,2,0,0,0,0|2,0,0]=4 12606 B10R0.91 CCCCC(C)NCCC#N 2230a_100000126638_100011215226 [0,2,0,0,0,0|1,0,1]=4 12607 B10R0.91 CCCCC(C)NCCC#N 270004a_100000720768_100000210087 [0,2,0,0,0,0|1,0,1]=4 12608 B10R0.91 CCCCC(C)NCCCF 2230a_100000126638_100011934791 [0,2,0,0,0,0|1,0,1]=4 12609 B10R0.91 CCCCC(C)NCCCF 2230a_100015189416_200011215066 [0,2,0,0,0,0|1,0,1]=4 12610 B10R0.91 CCCCC(C)NCCCF 270004a_100015189416_100000210087 [0,2,0,0,0,0|1,0,1]=4 12611 B10R0.91 CCCCC(C)NCCCF 34a_100015189416_200011215066 [0,2,0,0,0,0|1,0,1]=4 12612 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [0,2,0,0,0,0|0,0,2]=4 12613 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [0,2,0,0,0,0|0,0,2]=4 12614 B10R0.91 CCCCC(C)NCCOC 2230a_100000126638_100011201679 [0,2,0,0,0,0|2,0,0]=4 12615 B10R0.91 CCCCC(C)NCCOC 2230a_100000209980_200011215066 [0,2,0,0,0,0|2,0,0]=4 12616 B10R0.91 CCCCC(C)NCCOC 270004a_100000209980_100000210087 [0,2,0,0,0,0|2,0,0]=4 12617 B10R0.91 CCCCC(C)NCCSC 2230a_100000126638_100000751147 [0,2,0,0,0,0|2,0,0]=4 12618 B10R0.91 CCCCC(C)NCCSC 2230a_100020590264_200011215066 [0,2,0,0,0,0|2,0,0]=4 12619 B10R0.91 CCCCC(C)NCCSC 270004a_100020590264_100000210087 [0,2,0,0,0,0|2,0,0]=4 12620 B10R0.91 CCCCC(C)OCCC#N 7a_100000687866_100000184422 [0,2,0,0,0,0|1,0,1]=4 12621 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [0,2,0,0,0,0|1,0,1]=4 12622 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [0,2,0,0,0,0|1,0,1]=4 12623 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [0,2,0,0,0,0|1,0,1]=4 12624 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [0,2,0,0,0,0|1,0,1]=4 12625 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [0,2,0,0,0,0|1,0,1]=4 12626 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [0,2,0,0,0,0|1,0,1]=4 12627 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [0,2,0,0,0,0|0,0,2]=4 12628 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [0,2,0,0,0,0|0,0,2]=4 12629 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [0,2,0,0,0,0|2,0,0]=4 12630 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [0,2,0,0,0,0|2,0,0]=4 12631 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [0,2,0,0,0,0|2,0,0]=4 12632 B10R0.91 CCCCC(C)OCCON 34a_100000700252_200011215066 [0,2,0,0,0,0|2,0,0]=4 12633 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [0,2,0,0,0,0|2,0,0]=4 12634 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [0,2,0,0,0,0|2,0,0]=4 12635 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [0,2,0,0,0,0|2,0,0]=4 12636 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [0,2,0,0,0,0|2,0,0]=4 12637 B10R0.91 CCCCC(C)SCCC#N 62a_100011215226_200011215066 [0,2,0,0,0,0|1,0,1]=4 12638 B10R0.91 CCCCC(C)SCCC#N 62a_200011215066_100011215226 [0,2,0,0,0,0|1,0,1]=4 12639 B10R0.91 CCCCC(C)SCCCF 62a_100011934791_200011215066 [0,2,0,0,0,0|1,0,1]=4 12640 B10R0.91 CCCCC(C)SCCCF 62a_200011215066_100011934791 [0,2,0,0,0,0|1,0,1]=4 12641 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [0,2,0,0,0,0|0,0,2]=4 12642 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [0,2,0,0,0,0|0,0,2]=4 12643 B10R0.91 CCCCC(C)SCCOC 62a_100000233755_200011215066 [0,2,0,0,0,0|2,0,0]=4 12644 B10R0.91 CCCCC(C)SCCOC 62a_200011215066_100000233755 [0,2,0,0,0,0|2,0,0]=4 12645 B10R0.91 CCCCC(C)SCCSC 62a_100000212216_200011215066 [0,2,0,0,0,0|2,0,0]=4 12646 B10R0.91 CCCCC(C)SCCSC 62a_200011215066_100000751147 [0,2,0,0,0,0|2,0,0]=4 12647 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,2,0,0,0,0|1,0,1]=4 12648 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,2,0,0,0,0|1,0,1]=4 12649 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|1,0,1]=4 12650 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|1,0,1]=4 12651 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|1,0,1]=4 12652 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|0,0,2]=4 12653 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|2,0,0]=4 12654 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|2,0,0]=4 12655 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|2,0,0]=4 12656 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|2,0,0]=4 12657 B10R0.91 CCCCCC(C)NCC#N 2230a_100000211957_100011215382 [0,2,0,0,0,0|1,0,1]=4 12658 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,2,0,0,0,0|0,0,0]=2 12659 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,2,0,0,0,0|1,0,1]=4 12660 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,2,0,0,0,0|1,0,1]=4 12661 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [0,2,0,0,0,0|1,0,1]=4 12662 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [0,2,0,0,0,0|1,0,1]=4 12663 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,2,0,0,0,0|0,0,2]=4 12664 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,2,0,0,0,0|0,0,2]=4 12665 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,2,0,0,0,0|0,0,2]=4 12666 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,2,0,0,0,0|0,0,2]=4 12667 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,2,0,0,0,0|2,0,0]=4 12668 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [0,2,0,0,0,0|2,0,0]=4 12669 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [0,2,0,0,0,0|1,0,1]=4 12670 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,2,0,0,0,0|0,0,0]=2 12671 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,2,0,0,0,0|0,0,0]=2 12672 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,2,0,0,0,0|1,0,1]=4 12673 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,2,0,0,0,0|1,0,1]=4 12674 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,2,0,0,0,0|1,0,1]=4 12675 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,2,0,0,0,0|1,0,1]=4 12676 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,2,0,0,0,0|1,0,1]=4 12677 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,2,0,0,0,0|1,0,1]=4 12678 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,2,0,0,0,0|1,0,1]=4 12679 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,2,0,0,0,0|0,0,2]=4 12680 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,2,0,0,0,0|0,0,2]=4 12681 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,2,0,0,0,0|2,0,0]=4 12682 B10R0.91 CCCCCC(C)SCC#N 62a_100011215382_200011218191 [0,2,0,0,0,0|1,0,1]=4 12683 B10R0.91 CCCCCC(C)SCC#N 62a_200011218191_100011215382 [0,2,0,0,0,0|1,0,1]=4 12684 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,2,0,0,0,0|0,0,0]=2 12685 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,2,0,0,0,0|0,0,0]=2 12686 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,2,0,0,0,0|1,0,1]=4 12687 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,2,0,0,0,0|1,0,1]=4 12688 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [0,2,0,0,0,0|1,0,1]=4 12689 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [0,2,0,0,0,0|1,0,1]=4 12690 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,2,0,0,0,0|0,0,2]=4 12691 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,2,0,0,0,0|0,0,2]=4 12692 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,2,0,0,0,0|2,0,0]=4 12693 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,2,0,0,0,0|2,0,0]=4 12694 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [0,2,0,0,0,0|2,0,0]=4 12695 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [0,2,0,0,0,0|2,0,0]=4 12696 B10R0.91 CCCCCN(C)CCC#N 2230a_100000184479_100000210326 [0,2,0,0,0,0|1,0,1]=4 12697 B10R0.91 CCCCCN(C)CCC#N 2230a_100000223495_100011215226 [0,2,0,0,0,0|1,0,1]=4 12698 B10R0.91 CCCCCN(C)CCC#N 2230a_200000177445_200000210301 [0,2,0,0,0,0|1,0,1]=4 12699 B10R0.91 CCCCCN(C)CCC#N 269982a_100000223495_100011215226 [0,2,0,0,0,0|1,0,1]=4 12700 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [0,2,0,0,0,0|1,0,1]=4 12701 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [0,2,0,0,0,0|1,0,1]=4 12702 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [0,2,0,0,0,0|1,0,1]=4 12703 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [0,2,0,0,0,0|1,0,1]=4 12704 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [0,2,0,0,0,0|1,0,1]=4 12705 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [0,2,0,0,0,0|1,0,1]=4 12706 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,2,0,0,0,0|0,0,2]=4 12707 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,2,0,0,0,0|0,0,2]=4 12708 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,2,0,0,0,0|0,0,2]=4 12709 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,2,0,0,0,0|0,0,2]=4 12710 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,2,0,0,0,0|2,0,0]=4 12711 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,2,0,0,0,0|2,0,0]=4 12712 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,2,0,0,0,0|2,0,0]=4 12713 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,2,0,0,0,0|2,0,0]=4 12714 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [0,2,0,0,0,0|2,0,0]=4 12715 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [0,2,0,0,0,0|2,0,0]=4 12716 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [0,2,0,0,0,0|2,0,0]=4 12717 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [0,2,0,0,0,0|2,0,0]=4 12718 B10R0.91 CCCCCN([13CH3])CCC#N 2230a_200000177445_200025704644 [0,2,0,0,0,0|1,0,1]=4 12719 B10R0.91 CCCCN(C)CCCC#N 2230a_100000207549_100000687738 [0,2,0,0,0,0|1,0,1]=4 12720 B10R0.91 CCCCN(C)CCCC#N 269982a_100000207549_100000687738 [0,2,0,0,0,0|1,0,1]=4 12721 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [0,2,0,0,0,0|0,0,0]=2 12722 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [0,2,0,0,0,0|0,0,0]=2 12723 B10R0.91 CCCCN(C)CCCCF 2230a_100000207549_100000729493 [0,2,0,0,0,0|1,0,1]=4 12724 B10R0.91 CCCCN(C)CCCCF 269982a_100000207549_100000729493 [0,2,0,0,0,0|1,0,1]=4 12725 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [0,2,0,0,0,0|0,0,2]=4 12726 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [0,2,0,0,0,0|0,0,2]=4 12727 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [0,2,0,0,0,0|0,0,2]=4 12728 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [0,2,0,0,0,0|0,0,2]=4 12729 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [0,2,0,0,0,0|0,0,2]=4 12730 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [0,2,0,0,0,0|0,0,2]=4 12731 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [0,2,0,0,0,0|2,0,0]=4 12732 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [0,2,0,0,0,0|2,0,0]=4 12733 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [0,2,0,0,0,0|2,0,0]=4 12734 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [0,2,0,0,0,0|2,0,0]=4 12735 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [0,2,0,0,0,0|0,0,2]=4 12736 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [0,2,0,0,0,0|0,0,2]=4 12737 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [0,2,0,0,0,0|1,0,1]=4 12738 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [0,2,0,0,0,0|1,0,1]=4 12739 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [0,2,0,0,0,0|1,0,1]=4 12740 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [0,2,0,0,0,0|1,0,1]=4 12741 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [0,2,0,0,0,0|2,0,0]=4 12742 B10R0.91 CCCCNC(C)CCSC 270004a_100000102301_100011217047 [0,2,0,0,0,0|2,0,0]=4 12743 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,2,0,0,0,0|1,0,1]=4 12744 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,2,0,0,0,0|1,0,1]=4 12745 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,2,0,0,0,0|1,0,1]=4 12746 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,2,0,0,0,0|1,0,1]=4 12747 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [0,2,0,0,0,0|1,0,1]=4 12748 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [0,2,0,0,0,0|1,0,1]=4 12749 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [0,2,0,0,0,0|1,0,1]=4 12750 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [0,2,0,0,0,0|1,0,1]=4 12751 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [0,2,0,0,0,0|0,0,0]=2 12752 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,2,0,0,0,0|1,0,1]=4 12753 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [0,2,0,0,0,0|1,0,1]=4 12754 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [0,2,0,0,0,0|0,0,2]=4 12755 B10R0.91 CCCC[C@H](N)COCSC 34a_100011934283_100011218213 [0,2,0,0,0,0|2,0,0]=4 12756 B10R0.91 CCCNC(=O)CNCC=O 2230a_100000174927_200015260668 [0,2,0,0,0,0|1,0,1]=4 12757 B10R0.91 CCCNC(=O)CSCC=O 62a_100000183358_200015260668 [0,2,0,0,0,0|1,0,1]=4 12758 B10R0.91 CCCNC(=O)CSCC=O 62a_200015260668_100000183358 [0,2,0,0,0,0|1,0,1]=4 12759 B10R0.91 CCCNC(C)CCCC#N 270004a_100020643023_200000032708 [0,2,0,0,0,0|1,0,1]=4 12760 B10R0.91 CCCNC(C)CCCSC 270004a_100020643023_100011399439 [0,2,0,0,0,0|2,0,0]=4 12761 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [0,2,0,0,0,0|0,0,2]=4 12762 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [0,2,0,0,0,0|0,0,2]=4 12763 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [0,2,0,0,0,0|1,0,1]=4 12764 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [0,2,0,0,0,0|1,0,1]=4 12765 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [0,2,0,0,0,0|2,0,0]=4 12766 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [0,2,0,0,0,0|2,0,0]=4 12767 B10R0.91 CCCOC(C)CNCC=O 2230a_100015185124_200015260668 [0,2,0,0,0,0|1,0,0]=3 12768 B10R0.91 CCCOC(C)CNCC=O 34a_100015185124_200009817547 [0,2,0,0,0,0|1,0,0]=3 12769 B10R0.91 CCCOC[C@@H](N)CCSC 34a_100011827619_100000210303 [0,2,0,0,0,0|2,0,0]=4 12770 B10R0.91 CCOCC(O)CNCC=O 2230a_102515437182_200015260668 [0,2,0,0,0,0|1,0,0]=3 12771 B10R0.91 CCOCC(O)CNCC=O 34a_102515437182_200009817547 [0,2,0,0,0,0|1,0,0]=3 12772 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [0,2,0,0,0,0|1,0,1]=4 12773 B10R0.91 CN(CCC#N)CCCC=O 2230a_100000184479_200011292268 [0,2,0,0,0,0|1,0,1]=4 12774 B10R0.91 CN(CCCO)CCCC=O 2230a_100000213112_200011292268 [0,2,0,0,0,0|1,0,0]=3 12775 B10R0.91 CN(CCCO)CCCC=O 269982a_100000213112_200011292268 [0,2,0,0,0,0|1,0,0]=3 12776 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [0,2,0,0,0,0|1,0,0]=3 12777 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [0,2,0,0,0,0|1,0,0]=3 12778 B10R0.91 COCCN(C)CCCC=O 2230a_100000743101_200011292268 [0,2,0,0,0,0|1,0,0]=3 12779 B10R0.91 COCCN(C)CCCC=O 269982a_100000743101_200011292268 [0,2,0,0,0,0|1,0,0]=3 12780 B10R0.91 COCO[C@H](C)COCC=O 34a_100016172286_200009817547 [0,2,0,0,0,0|2,0,0]=4 12781 B10R0.91 COCO[C@H](C)COCC=O 7a_100016172286_200015260668 [0,2,0,0,0,0|2,0,0]=4 12782 B10R0.91 CSCCN(C)CCCC=O 2230a_100000686725_200011292268 [0,2,0,0,0,0|1,0,0]=3 12783 B10R0.91 CSCCN(C)CCCC=O 269982a_100000686725_200011292268 [0,2,0,0,0,0|1,0,0]=3 12784 B10R0.91 CSCC[C@H](N)COCC=O 34a_100011827619_200009817547 [0,2,0,0,0,0|1,0,0]=3 12785 B10R0.91 C[C@H](CCCO)CNCC=O 2230a_100160569302_200015260668 [0,2,0,0,0,0|1,0,0]=3 12786 B10R0.91 C[C@H](CCCO)CNCC=O 34a_100160569302_200009817547 [0,2,0,0,0,0|1,0,0]=3 12787 B10R0.108 C=CC(C)COC(C)CCC 34a_100011215527_100000766640 [0,2,0,0,0,0|2,0,0]=4 12788 B10R0.108 C=CC(C)COC(C)CCC 7a_100011215527_100000766640 [0,2,0,0,0,0|2,0,0]=4 12789 B10R0.108 C=CC(C)OCC(C)CCC 34a_100000695699_100011216630 [0,2,0,0,0,0|2,0,0]=4 12790 B10R0.108 C=CC(C)SCC(C)CCC 62a_100011215867_100011216630 [0,2,0,0,0,0|2,0,0]=4 12791 B10R0.108 C=CC(O)CNC(C)CCC 2230a_100000741246_100000730141 [0,2,0,0,0,0|2,0,0]=4 12792 B10R0.108 C=CC(O)COC(C)CCC 34a_100000764384_100000730141 [0,2,0,0,0,0|2,0,0]=4 12793 B10R0.108 C=CC(O)COC(C)CCC 7a_100000764384_100000730141 [0,2,0,0,0,0|2,0,0]=4 12794 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000730141_100000766640 [0,2,0,0,0,0|2,0,0]=4 12795 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000766640_100000730141 [0,2,0,0,0,0|2,0,0]=4 12796 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,2,0,0,0,0|1,0,1]=4 12797 B10R0.108 C=CCC(C)COC(C)CC 34a_100009832082_100011215416 [0,2,0,0,0,0|2,0,0]=4 12798 B10R0.108 C=CCC(C)COC(C)CC 7a_100009832082_100000758301 [0,2,0,0,0,0|2,0,0]=4 12799 B10R0.108 C=CC[C@@H](C)OCC(C)CC 34a_100000731007_100000748023 [0,2,0,0,0,0|2,0,0]=4 12800 B10R0.108 C=CC[C@@H](C)OCC(C)CC 7a_100000731007_100000748023 [0,2,0,0,0,0|2,0,0]=4 12801 B10R0.108 C=CC[C@@H](C)OCC(O)CC 34a_100000731007_100011218378 [0,2,0,0,0,0|2,0,0]=4 12802 B10R0.108 C=CC[C@@H](C)OCC(O)CC 7a_100000731007_100011218378 [0,2,0,0,0,0|2,0,0]=4 12803 B10R0.108 C=CC[C@@H](C)OC[C@@H](C)CC 34a_100000731007_100009816398 [0,2,0,0,0,0|2,0,0]=4 12804 B10R0.108 C=CC[C@@H](C)OC[C@@H](C)CC 7a_100000731007_100009816398 [0,2,0,0,0,0|2,0,0]=4 12805 B10R0.108 C=CC[C@@H](N)COC(C)CC 34a_100020615467_100011215416 [0,2,0,0,0,0|2,0,0]=4 12806 B10R0.108 C=C[C@H](N)COC(C)CCC 34a_100016989147_100000766640 [0,2,0,0,0,0|2,0,0]=4 12807 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [0,2,0,0,0,0|2,0,0]=4 12808 B10R0.156 C=CCC(C)(C)OCCCC 7a_100011995686_100000210211 [0,2,0,0,0,0|2,0,0]=4 12809 B10R0.156 C=CCCOC(C)(C)CCC 7a_100000748436_100000754431 [0,2,0,0,0,0|2,0,0]=4 12810 B10R0.156 C=CCOCC(C)(C)CCC 7a_100011995695_100015514636 [0,2,0,0,0,0|2,0,0]=4 12811 B10R0.156 CCCC(C)(C)COCC=O 7a_100011995695_200015260668 [0,2,0,0,0,0|1,0,0]=3 12812 B10R0.156 CCNC(C)(C)COCC=O 7a_100000747347_200015260668 [0,2,0,0,0,0|2,0,0]=4 12813 B10R0.156 COCC(C)(C)CNCC=O 2230a_100000734190_200015260668 [0,2,0,0,0,0|2,0,0]=4 12814 B10R0.16 C#CC(CCCC)OCC=C 34a_200011217967_100015514636 [0,2,0,0,0,0|2,0,0]=4 12815 B10R0.16 C#CC(CCCC)OCC=C 7a_200011217967_100015514636 [0,2,0,0,0,0|2,0,0]=4 12816 B10R0.16 C#CC(CCCC)OCC=O 34a_200011217967_200009817547 [0,2,0,0,0,0|1,0,0]=3 12817 B10R0.16 C#CC(CCCC)OCC=O 7a_200011217967_200015260668 [0,2,0,0,0,0|1,0,0]=3 12818 B10R0.16 C=CC(CCCC)OCC=O 34a_200011215037_200009817547 [0,2,0,0,0,0|1,0,0]=3 12819 B10R0.16 C=CC(CCCC)OCC=O 7a_200011215037_200015260668 [0,2,0,0,0,0|1,0,0]=3 12820 B10R0.16 C=CCCN(CC)CCCC 2230a_100000207695_100000754431 [0,2,0,0,0,0|2,0,0]=4 12821 B10R0.16 C=CCCN(CC)CCCC 269982a_100000207695_100000754431 [0,2,0,0,0,0|2,0,0]=4 12822 B10R0.16 C=CCNC(CC)CCCC 270004a_100020586998_100000753412 [0,2,0,0,0,0|2,0,0]=4 12823 B10R0.16 C=CCN[C@H](CO)CCCC 2230a_100011934283_100000210623 [0,2,0,0,0,0|2,0,0]=4 12824 B10R0.16 C=CCN[C@H](CO)CCCC 34a_100011934283_100015514636 [0,2,0,0,0,0|2,0,0]=4 12825 B10R0.16 C=CCOC(C=C)CCCC 34a_200011215037_100015514636 [0,2,0,0,0,0|2,0,0]=4 12826 B10R0.16 C=CCOC(C=C)CCCC 7a_200011215037_100015514636 [0,2,0,0,0,0|2,0,0]=4 12827 B10R0.16 C=CCOC(CC)CCCC 34a_100011215227_100015514636 [0,2,0,0,0,0|2,0,0]=4 12828 B10R0.16 C=CCOC(CC)CCCC 34a_200000210373_200011216223 [0,2,0,0,0,0|2,0,0]=4 12829 B10R0.16 C=CCOC(CC)CCCC 7a_100011215227_100015514636 [0,2,0,0,0,0|2,0,0]=4 12830 B10R0.16 C=CCSC(CC)CCCC 62a_100000210623_200011216223 [0,2,0,0,0,0|2,0,0]=4 12831 B10R0.16 C=CCSC(CC)CCCC 62a_200011216223_100000210623 [0,2,0,0,0,0|2,0,0]=4 12832 B10R0.16 CCCCC(CC)OCC=O 34a_100011215227_200009817547 [0,2,0,0,0,0|1,0,0]=3 12833 B10R0.16 CCCCC(CC)OCC=O 7a_100011215227_200015260668 [0,2,0,0,0,0|1,0,0]=3 12834 B10R0.16 CCCCC(CC)SCC=O 62a_200011216223_200015260668 [0,2,0,0,0,0|1,0,0]=3 12835 B10R0.16 CCCCC(CC)SCC=O 62a_200015260668_200011216223 [0,2,0,0,0,0|1,0,0]=3 12836 B10R0.16 CCCCC(CCCC)NC 2230a_200011995792_200000210301 [0,2,0,0,0,0|1,0,1]=4 12837 B10R0.16 CCCCC(CCCC)NC 270004a_106832991635_100011218081 [0,2,0,0,0,0|1,0,1]=4 12838 B10R0.16 CCCCC(CCCC)NC 34a_200011995792_200000210301 [0,2,0,0,0,0|1,0,1]=4 12839 B10R0.16 CCCCC(CCCC)N[13CH3] 2230a_200011995792_200025704644 [0,2,0,0,0,0|1,0,1]=4 12840 B10R0.16 CCCCC(CCCC)N[13CH3] 34a_200011995792_200025704644 [0,2,0,0,0,0|1,0,1]=4 12841 B10R0.16 CCCCC(CCCC)OC 34a_200011215786_200000210301 [0,2,0,0,0,0|1,0,1]=4 12842 B10R0.16 CCCCC(CCCC)OC 7a_200011215786_200000210301 [0,2,0,0,0,0|1,0,1]=4 12843 B10R0.16 CCCCC(CCCC)O[13CH3] 34a_200011215786_200025704644 [0,2,0,0,0,0|1,0,1]=4 12844 B10R0.16 CCCCC(CCCC)O[13CH3] 7a_200011215786_200025704644 [0,2,0,0,0,0|1,0,1]=4 12845 B10R0.16 CCCC[C@@H](CO)NCC=O 2230a_100011934283_200015260668 [0,2,0,0,0,0|1,0,0]=3 12846 B10R0.16 CCCC[C@@H](CO)NCC=O 34a_100011934283_200009817547 [0,2,0,0,0,0|1,0,0]=3 12847 B10R0.16 CCOCC(CN)OCC=O 34a_102515437182_200009817547 [0,2,0,0,0,0|2,0,0]=4 12848 B10R0.16 CSCC[C@@H](CO)NCC=O 2230a_100011827619_200015260668 [0,2,0,0,0,0|2,0,0]=4 12849 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,2,0,0,0,0|1,0,1]=4 12850 B10R0.18 C=CC(C)OC(C)CCCC 34a_100000695699_200011215066 [0,2,0,0,0,0|2,0,0]=4 12851 B10R0.18 C=CC(C)SC(C)CCCC 62a_100011215867_200011215066 [0,2,0,0,0,0|2,0,0]=4 12852 B10R0.18 C=CC(O)CN(C)CCCC 2230a_100000207549_100000730141 [0,2,0,0,0,0|2,0,0]=4 12853 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000708755_100000754431 [0,2,0,0,0,0|1,0,1]=4 12854 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000749702_100000748023 [0,2,0,0,0,0|1,0,1]=4 12855 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100000749702_100011218378 [0,2,0,0,0,0|1,0,1]=4 12856 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100011667805_100000754431 [0,2,0,0,0,0|1,0,1]=4 12857 B10R0.18 C=CCCC(=O)C[C@@H](C)CC 1458a_100000749702_100009816398 [0,2,0,0,0,0|1,0,1]=4 12858 B10R0.18 C=CCCC(C)NC(C)CC 270004a_100000209981_100000762624 [0,2,0,0,0,0|2,0,0]=4 12859 B10R0.18 C=CCCC(C)OC(C)CC 34a_100000765329_100011215416 [0,2,0,0,0,0|2,0,0]=4 12860 B10R0.18 C=CCCC(C)OC(C)CC 7a_100000765329_100000758301 [0,2,0,0,0,0|2,0,0]=4 12861 B10R0.18 C=CCCN(C)CC(C)CC 2230a_100000753921_100000754431 [0,2,0,0,0,0|2,0,0]=4 12862 B10R0.18 C=CCCN(C)CC(C)CC 2230a_100020639649_100000748023 [0,2,0,0,0,0|2,0,0]=4 12863 B10R0.18 C=CCCN(C)CC(C)CC 269982a_100000753921_100000754431 [0,2,0,0,0,0|2,0,0]=4 12864 B10R0.18 C=CCCN(C)CC(C)CC 269982a_100020639649_100000748023 [0,2,0,0,0,0|2,0,0]=4 12865 B10R0.18 C=CCCN(C)CC(C)CC 270004a_100020639649_100000243153 [0,2,0,0,0,0|2,0,0]=4 12866 B10R0.18 C=CCCN(C)CC(O)CC 2230a_100020639649_100011218378 [0,2,0,0,0,0|2,0,0]=4 12867 B10R0.18 C=CCCN(C)CC(O)CC 269982a_100020639649_100011218378 [0,2,0,0,0,0|2,0,0]=4 12868 B10R0.18 C=CCCN(C)C[C@@H](C)CC 2230a_100020639649_100009816398 [0,2,0,0,0,0|2,0,0]=4 12869 B10R0.18 C=CCCN(C)C[C@@H](C)CC 269982a_100020639649_100009816398 [0,2,0,0,0,0|2,0,0]=4 12870 B10R0.18 C=CCNC(C)CC(C)CC 2230a_100000763565_100000210623 [0,2,0,0,0,0|2,0,0]=4 12871 B10R0.18 C=CCNC(C)CC(C)CC 270004a_100020586998_100011710205 [0,2,0,0,0,0|2,0,0]=4 12872 B10R0.18 CCC(C)CC(C)NCC=O 2230a_100000763565_200015260668 [0,2,0,0,0,0|1,0,0]=3 12873 B10R0.116 C=CCOC(C)(C)CCCC 7a_100011219641_100015514636 [0,2,0,0,0,0|2,0,0]=4 12874 B10R0.116 CC(C)(CCCBr)OCC=O 7a_100009888830_200015260668 [0,2,0,0,0,0|2,0,0]=4 12875 B10R0.116 CCCCC(C)(C)OCC=O 7a_100011219641_200015260668 [0,2,0,0,0,0|1,0,0]=3 12876 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [0,2,0,0,0,0|1,0,1]=4 12877 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [0,2,0,0,0,0|1,0,1]=4 12878 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [0,2,0,0,0,0|1,0,1]=4 12879 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [0,2,0,0,0,0|1,0,1]=4 12880 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [0,2,0,0,0,0|1,0,1]=4 12881 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [0,2,0,0,0,0|1,0,1]=4 12882 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [0,2,0,0,0,0|1,0,1]=4 12883 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [0,2,0,0,0,0|1,0,1]=4 12884 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [0,2,0,0,0,0|1,0,1]=4 12885 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [0,2,0,0,0,0|1,0,1]=4 12886 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [0,2,0,0,0,0|1,0,1]=4 12887 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [0,2,0,0,0,0|1,0,1]=4 12888 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [0,2,0,0,0,0|1,0,1]=4 12889 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [0,2,0,0,0,0|1,0,1]=4 12890 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [0,2,0,0,0,0|1,0,1]=4 12891 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [0,2,0,0,0,0|1,0,1]=4 12892 B10R0.71 C#CCCCCCCOCF 34a_100011217361_100015361967 [0,2,0,0,0,0|1,0,1]=4 12893 B10R0.71 C#CCCCCCCOCF 7a_100011217361_100015361967 [0,2,0,0,0,0|1,0,1]=4 12894 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [0,2,0,0,0,0|1,0,1]=4 12895 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [0,2,0,0,0,0|1,0,1]=4 12896 B10R0.71 C#CCCCCCCSCF 62a_100012276617_100015361967 [0,2,0,0,0,0|1,0,1]=4 12897 B10R0.71 C#CCCCCCCSCF 62a_100015361967_100012276617 [0,2,0,0,0,0|1,0,1]=4 12898 B10R0.71 C#CCCCCCNCC=C 2230a_100020586998_100012094781 [0,2,0,0,0,0|1,0,1]=4 12899 B10R0.71 C#CCCCCCNCCF 34a_100000724931_100012094781 [0,2,0,0,0,0|1,0,1]=4 12900 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [0,2,0,0,0,0|1,0,1]=4 12901 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [0,2,0,0,0,0|1,0,1]=4 12902 B10R0.71 C#CCCCCCOCC=C 34a_100000766912_100015514636 [0,2,0,0,0,0|1,0,1]=4 12903 B10R0.71 C#CCCCCCOCC=C 34a_200000210373_100012094781 [0,2,0,0,0,0|1,0,1]=4 12904 B10R0.71 C#CCCCCCOCC=C 7a_100000766912_100015514636 [0,2,0,0,0,0|1,0,1]=4 12905 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [0,2,0,0,0,0|0,0,1]=3 12906 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [0,2,0,0,0,0|0,0,1]=3 12907 B10R0.71 C#CCCCCCOCCBr 34a_100000211926_100012094781 [0,2,0,0,0,0|1,0,1]=4 12908 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [0,2,0,0,0,0|1,0,1]=4 12909 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [0,2,0,0,0,0|1,0,1]=4 12910 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [0,2,0,0,0,0|1,0,1]=4 12911 B10R0.71 C#CCCCCCOCCF 34a_100000766912_100011217306 [0,2,0,0,0,0|1,0,1]=4 12912 B10R0.71 C#CCCCCCOCCF 7a_100000766912_100011217306 [0,2,0,0,0,0|1,0,1]=4 12913 B10R0.71 C#CCCCCCOCCN 34a_100000210304_100012094781 [0,2,0,0,0,0|1,0,1]=4 12914 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [0,2,0,0,0,0|1,0,1]=4 12915 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [0,2,0,0,0,0|1,0,1]=4 12916 B10R0.71 C#CCCCCCOCSC 34a_100000766912_100011218213 [0,2,0,0,0,0|1,0,1]=4 12917 B10R0.71 C#CCCCCCSCC=C 62a_100000210623_100012094781 [0,2,0,0,0,0|1,0,1]=4 12918 B10R0.71 C#CCCCCCSCC=C 62a_100012094781_100000210623 [0,2,0,0,0,0|1,0,1]=4 12919 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [0,2,0,0,0,0|0,0,1]=3 12920 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [0,2,0,0,0,0|0,0,1]=3 12921 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [0,2,0,0,0,0|1,0,1]=4 12922 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [0,2,0,0,0,0|1,0,1]=4 12923 B10R0.71 C#CCCCCCSCCF 62a_100011217306_100012094781 [0,2,0,0,0,0|1,0,1]=4 12924 B10R0.71 C#CCCCCCSCCF 62a_100012094781_100011217306 [0,2,0,0,0,0|1,0,1]=4 12925 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [0,2,0,0,0,0|1,0,1]=4 12926 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [0,2,0,0,0,0|1,0,1]=4 12927 B10R0.71 C#CCCCCCSCOC 62a_100000766300_100012094781 [0,2,0,0,0,0|1,0,1]=4 12928 B10R0.71 C#CCCCCCSCOC 62a_100012094781_100000766300 [0,2,0,0,0,0|1,0,1]=4 12929 B10R0.71 C#CCCCCCSCSC 62a_100011218213_100012094781 [0,2,0,0,0,0|1,0,1]=4 12930 B10R0.71 C#CCCCCCSCSC 62a_100012094781_100011218213 [0,2,0,0,0,0|1,0,1]=4 12931 B10R0.71 C#CCCCCNCCC=C 2230a_100000706060_100000754431 [0,2,0,0,0,0|1,0,1]=4 12932 B10R0.71 C#CCCCCNCCC=C 2230a_100015191253_100010269958 [0,2,0,0,0,0|1,0,1]=4 12933 B10R0.71 C#CCCCCNCCC=C 34a_100000706060_100000754431 [0,2,0,0,0,0|1,0,1]=4 12934 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [0,2,0,0,0,0|1,0,1]=4 12935 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [0,2,0,0,0,0|1,0,1]=4 12936 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [0,2,0,0,0,0|1,0,1]=4 12937 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [0,2,0,0,0,0|1,0,1]=4 12938 B10R0.71 C#CCCCCNCCCF 2230a_100000706060_100011934791 [0,2,0,0,0,0|1,0,1]=4 12939 B10R0.71 C#CCCCCNCCCF 2230a_100015189416_100010269958 [0,2,0,0,0,0|1,0,1]=4 12940 B10R0.71 C#CCCCCNCCCF 34a_100000706060_100011934791 [0,2,0,0,0,0|1,0,1]=4 12941 B10R0.71 C#CCCCCNCCCF 34a_100015189416_100010269958 [0,2,0,0,0,0|1,0,1]=4 12942 B10R0.71 C#CCCCCNCCCO 2230a_100000706060_100000230001 [0,2,0,0,0,0|1,0,1]=4 12943 B10R0.71 C#CCCCCNCCCO 34a_100000706060_100000230001 [0,2,0,0,0,0|1,0,1]=4 12944 B10R0.71 C#CCCCCNCCOC 2230a_100000209980_100010269958 [0,2,0,0,0,0|1,0,1]=4 12945 B10R0.71 C#CCCCCNCCOC 2230a_100000706060_100011201679 [0,2,0,0,0,0|1,0,1]=4 12946 B10R0.71 C#CCCCCNCCOC 34a_100000706060_100011201679 [0,2,0,0,0,0|1,0,1]=4 12947 B10R0.71 C#CCCCCNCCSC 2230a_100000706060_100000751147 [0,2,0,0,0,0|1,0,1]=4 12948 B10R0.71 C#CCCCCNCCSC 2230a_100020590264_100010269958 [0,2,0,0,0,0|1,0,1]=4 12949 B10R0.71 C#CCCCCNCCSC 34a_100000706060_100000212216 [0,2,0,0,0,0|1,0,1]=4 12950 B10R0.71 C#CCCCCOCCC=C 34a_100000766709_100000754431 [0,2,0,0,0,0|1,0,1]=4 12951 B10R0.71 C#CCCCCOCCC=C 34a_100011205117_100010269958 [0,2,0,0,0,0|1,0,1]=4 12952 B10R0.71 C#CCCCCOCCC=C 7a_100000766709_100000754431 [0,2,0,0,0,0|1,0,1]=4 12953 B10R0.71 C#CCCCCOCCCBr 34a_100011217188_100010269958 [0,2,0,0,0,0|1,0,1]=4 12954 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [0,2,0,0,0,0|1,0,1]=4 12955 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [0,2,0,0,0,0|1,0,1]=4 12956 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [0,2,0,0,0,0|1,0,1]=4 12957 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [0,2,0,0,0,0|1,0,1]=4 12958 B10R0.71 C#CCCCCOCCCCl 34a_100000230001_100010269958 [0,2,0,0,0,0|1,0,1]=4 12959 B10R0.71 C#CCCCCOCCCF 34a_100000759539_100010269958 [0,2,0,0,0,0|1,0,1]=4 12960 B10R0.71 C#CCCCCOCCCF 34a_100000766709_100011934791 [0,2,0,0,0,0|1,0,1]=4 12961 B10R0.71 C#CCCCCOCCCF 7a_100000766709_100011934791 [0,2,0,0,0,0|1,0,1]=4 12962 B10R0.71 C#CCCCCOCCCN 34a_100000182051_100010269958 [0,2,0,0,0,0|1,0,1]=4 12963 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [0,2,0,0,0,0|1,0,1]=4 12964 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [0,2,0,0,0,0|1,0,1]=4 12965 B10R0.71 C#CCCCCOCCOC 34a_100000210237_100010269958 [0,2,0,0,0,0|1,0,1]=4 12966 B10R0.71 C#CCCCCOCCOC 34a_100000766709_100011201679 [0,2,0,0,0,0|1,0,1]=4 12967 B10R0.71 C#CCCCCOCCOC 7a_100000766709_100000233755 [0,2,0,0,0,0|1,0,1]=4 12968 B10R0.71 C#CCCCCOCCSC 34a_100000230434_100010269958 [0,2,0,0,0,0|1,0,1]=4 12969 B10R0.71 C#CCCCCOCCSC 34a_100000766709_100000212216 [0,2,0,0,0,0|1,0,1]=4 12970 B10R0.71 C#CCCCCOCCSC 7a_100000230434_100010269958 [0,2,0,0,0,0|1,0,1]=4 12971 B10R0.71 C#CCCCCOCCSC 7a_100000766709_100000212216 [0,2,0,0,0,0|1,0,1]=4 12972 B10R0.71 C#CCCCCSCCC=C 62a_100000754431_100010269958 [0,2,0,0,0,0|1,0,1]=4 12973 B10R0.71 C#CCCCCSCCC=C 62a_100010269958_100000754431 [0,2,0,0,0,0|1,0,1]=4 12974 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [0,2,0,0,0,0|1,0,1]=4 12975 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [0,2,0,0,0,0|1,0,1]=4 12976 B10R0.71 C#CCCCCSCCCF 62a_100010269958_100011934791 [0,2,0,0,0,0|1,0,1]=4 12977 B10R0.71 C#CCCCCSCCCF 62a_100011934791_100010269958 [0,2,0,0,0,0|1,0,1]=4 12978 B10R0.71 C#CCCCCSCCCO 62a_100010269958_100011215043 [0,2,0,0,0,0|1,0,1]=4 12979 B10R0.71 C#CCCCCSCCCO 62a_100011215043_100010269958 [0,2,0,0,0,0|1,0,1]=4 12980 B10R0.71 C#CCCCCSCCOC 62a_100000233755_100010269958 [0,2,0,0,0,0|1,0,1]=4 12981 B10R0.71 C#CCCCCSCCOC 62a_100010269958_100000233755 [0,2,0,0,0,0|1,0,1]=4 12982 B10R0.71 C#CCCCCSCCSC 62a_100000212216_100010269958 [0,2,0,0,0,0|1,0,1]=4 12983 B10R0.71 C#CCCCCSCCSC 62a_100010269958_100000751147 [0,2,0,0,0,0|1,0,1]=4 12984 B10R0.71 C#CCCCCSCOCC 62a_100000739092_100010269958 [0,2,0,0,0,0|1,0,1]=4 12985 B10R0.71 C#CCCCCSCOCC 62a_100010269958_100000739092 [0,2,0,0,0,0|1,0,1]=4 12986 B10R0.71 C#CCCCNCCCC=C 2230a_100000700776_100000731252 [0,2,0,0,0,0|1,0,1]=4 12987 B10R0.71 C#CCCCNCCCC=C 34a_100000700776_100000695029 [0,2,0,0,0,0|1,0,1]=4 12988 B10R0.71 C#CCCCNCCCC=C 34a_100000718082_100000757094 [0,2,0,0,0,0|1,0,1]=4 12989 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [0,2,0,0,0,0|1,0,1]=4 12990 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [0,2,0,0,0,0|1,0,1]=4 12991 B10R0.71 C#CCCCNCCCCF 34a_100000718082_100000729493 [0,2,0,0,0,0|1,0,1]=4 12992 B10R0.71 C#CCCCNCCCCO 2230a_100000750430_100000731252 [0,2,0,0,0,0|1,0,1]=4 12993 B10R0.71 C#CCCCNCCCCO 34a_100000718082_100011216708 [0,2,0,0,0,0|1,0,1]=4 12994 B10R0.71 C#CCCCNCCCCO 34a_100000750430_100000695029 [0,2,0,0,0,0|1,0,1]=4 12995 B10R0.71 C#CCCCNCCCOC 34a_100000718082_100000740836 [0,2,0,0,0,0|1,0,1]=4 12996 B10R0.71 C#CCCCNCCCOC 34a_100150723488_100000695029 [0,2,0,0,0,0|1,0,1]=4 12997 B10R0.71 C#CCCCNCCCSC 2230a_100000749238_100000731252 [0,2,0,0,0,0|1,0,1]=4 12998 B10R0.71 C#CCCCNCCOCC 2230a_102516460346_100000731252 [0,2,0,0,0,0|1,0,1]=4 12999 B10R0.71 C#CCCCNCCOCC 34a_100000718082_100000210147 [0,2,0,0,0,0|1,0,1]=4 13000 B10R0.71 C#CCCCNCCOCC 34a_102516460346_100000695029 [0,2,0,0,0,0|1,0,1]=4 13001 B10R0.71 C#CCCCNCCSCC 2230a_100000106463_100000731252 [0,2,0,0,0,0|1,0,1]=4 13002 B10R0.71 C#CCCCNCCSCC 34a_100000718082_100000757381 [0,2,0,0,0,0|1,0,1]=4 13003 B10R0.71 C#CCCCOCCCC=C 34a_100000215630_100000757094 [0,2,0,0,0,0|1,0,1]=4 13004 B10R0.71 C#CCCCOCCCC=C 34a_100000758997_100000695029 [0,2,0,0,0,0|1,0,1]=4 13005 B10R0.71 C#CCCCOCCCC=C 7a_100000215630_100000757094 [0,2,0,0,0,0|1,0,1]=4 13006 B10R0.71 C#CCCCOCCCC=C 7a_100000758997_100011215417 [0,2,0,0,0,0|1,0,1]=4 13007 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [0,2,0,0,0,0|0,0,1]=3 13008 B10R0.71 C#CCCCOCCCCBr 34a_100011216708_100000695029 [0,2,0,0,0,0|1,0,1]=4 13009 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [0,2,0,0,0,0|1,0,1]=4 13010 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [0,2,0,0,0,0|1,0,1]=4 13011 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [0,2,0,0,0,0|1,0,1]=4 13012 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [0,2,0,0,0,0|1,0,1]=4 13013 B10R0.71 C#CCCCOCCCCCl 34a_100000210776_100000695029 [0,2,0,0,0,0|1,0,1]=4 13014 B10R0.71 C#CCCCOCCCCCl 7a_100000210776_100011215417 [0,2,0,0,0,0|1,0,1]=4 13015 B10R0.71 C#CCCCOCCCCF 34a_100000215630_100000729493 [0,2,0,0,0,0|1,0,1]=4 13016 B10R0.71 C#CCCCOCCCCF 34a_100011995726_100000695029 [0,2,0,0,0,0|1,0,1]=4 13017 B10R0.71 C#CCCCOCCCCF 7a_100000215630_100000729493 [0,2,0,0,0,0|1,0,1]=4 13018 B10R0.71 C#CCCCOCCCCF 7a_100011995726_100011215417 [0,2,0,0,0,0|1,0,1]=4 13019 B10R0.71 C#CCCCOCCCCI 34a_200012148704_100000695029 [0,2,0,0,0,0|1,0,1]=4 13020 B10R0.71 C#CCCCOCCCCN 34a_100000750430_100000695029 [0,2,0,0,0,0|1,0,1]=4 13021 B10R0.71 C#CCCCOCCCCO 34a_100000215630_100011216708 [0,2,0,0,0,0|1,0,1]=4 13022 B10R0.71 C#CCCCOCCCCO 7a_100000215630_100000210776 [0,2,0,0,0,0|1,0,1]=4 13023 B10R0.71 C#CCCCOCCCNC 34a_100000213112_100000695029 [0,2,0,0,0,0|1,0,1]=4 13024 B10R0.71 C#CCCCOCCCOC 34a_100000215630_100000740836 [0,2,0,0,0,0|1,0,1]=4 13025 B10R0.71 C#CCCCOCCCOC 34a_100000740835_100000695029 [0,2,0,0,0,0|1,0,1]=4 13026 B10R0.71 C#CCCCOCCCOC 7a_100000215630_100000740836 [0,2,0,0,0,0|1,0,1]=4 13027 B10R0.71 C#CCCCOCCCSC 34a_100000690336_100000695029 [0,2,0,0,0,0|1,0,1]=4 13028 B10R0.71 C#CCCCOCCCSC 7a_100000690336_100011215417 [0,2,0,0,0,0|1,0,1]=4 13029 B10R0.71 C#CCCCOCCOCC 34a_100000210136_100000695029 [0,2,0,0,0,0|1,0,1]=4 13030 B10R0.71 C#CCCCOCCOCC 34a_100000215630_100000210147 [0,2,0,0,0,0|1,0,1]=4 13031 B10R0.71 C#CCCCOCCOCC 7a_100000210136_100011215417 [0,2,0,0,0,0|1,0,1]=4 13032 B10R0.71 C#CCCCOCCOCC 7a_100000215630_100011215890 [0,2,0,0,0,0|1,0,1]=4 13033 B10R0.71 C#CCCCOCCSCC 34a_100000212035_100000695029 [0,2,0,0,0,0|1,0,1]=4 13034 B10R0.71 C#CCCCOCCSCC 34a_100000215630_100000757381 [0,2,0,0,0,0|1,0,1]=4 13035 B10R0.71 C#CCCCOCCSCC 7a_100000212035_100011215417 [0,2,0,0,0,0|1,0,1]=4 13036 B10R0.71 C#CCCCOCCSCC 7a_100000215630_100000757381 [0,2,0,0,0,0|1,0,1]=4 13037 B10R0.71 C#CCCCSCCCC=C 62a_100011215417_100000757094 [0,2,0,0,0,0|1,0,1]=4 13038 B10R0.71 C#CCCCSCCCC=C 62a_100011713584_100011215417 [0,2,0,0,0,0|1,0,1]=4 13039 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [0,2,0,0,0,0|0,0,1]=3 13040 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [0,2,0,0,0,0|0,0,1]=3 13041 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [0,2,0,0,0,0|1,0,1]=4 13042 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [0,2,0,0,0,0|1,0,1]=4 13043 B10R0.71 C#CCCCSCCCCF 62a_100000729493_100011215417 [0,2,0,0,0,0|1,0,1]=4 13044 B10R0.71 C#CCCCSCCCCF 62a_100011215417_100000729493 [0,2,0,0,0,0|1,0,1]=4 13045 B10R0.71 C#CCCCSCCCCO 62a_100000210776_100011215417 [0,2,0,0,0,0|1,0,1]=4 13046 B10R0.71 C#CCCCSCCCCO 62a_100011215417_100000210776 [0,2,0,0,0,0|1,0,1]=4 13047 B10R0.71 C#CCCCSCCCOC 62a_100000709357_100011215417 [0,2,0,0,0,0|1,0,1]=4 13048 B10R0.71 C#CCCCSCCCOC 62a_100011215417_100000709357 [0,2,0,0,0,0|1,0,1]=4 13049 B10R0.71 C#CCCCSCCOCC 62a_100000210147_100011215417 [0,2,0,0,0,0|1,0,1]=4 13050 B10R0.71 C#CCCCSCCOCC 62a_100011215417_100011215890 [0,2,0,0,0,0|1,0,1]=4 13051 B10R0.71 C#CCCCSCCSCC 62a_100000757381_100011215417 [0,2,0,0,0,0|1,0,1]=4 13052 B10R0.71 C#CCCCSCCSCC 62a_100011215417_100000757381 [0,2,0,0,0,0|1,0,1]=4 13053 B10R0.71 C#CCCNCCCCC=C 2230a_100000703577_100000688953 [0,2,0,0,0,0|1,0,1]=4 13054 B10R0.71 C#CCCNCCCCC=C 34a_100000703577_100000688953 [0,2,0,0,0,0|1,0,1]=4 13055 B10R0.71 C#CCCNCCCCC=C 34a_100000755551_100011215482 [0,2,0,0,0,0|1,0,1]=4 13056 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [0,2,0,0,0,0|1,0,1]=4 13057 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [0,2,0,0,0,0|1,0,1]=4 13058 B10R0.71 C#CCCNCCCCCF 34a_100000755551_100000729378 [0,2,0,0,0,0|1,0,1]=4 13059 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [0,2,0,0,0,0|1,0,1]=4 13060 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [0,2,0,0,0,0|1,0,1]=4 13061 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [0,2,0,0,0,0|1,0,1]=4 13062 B10R0.71 C#CCCNCCCCOC 34a_100000755551_100000755781 [0,2,0,0,0,0|1,0,1]=4 13063 B10R0.71 C#CCCNCCCOCC 2230a_100000210961_100000688953 [0,2,0,0,0,0|1,0,1]=4 13064 B10R0.71 C#CCCNCCCOCC 34a_100000210961_100000688953 [0,2,0,0,0,0|1,0,1]=4 13065 B10R0.71 C#CCCNCCCOCC 34a_100000755551_100012232248 [0,2,0,0,0,0|1,0,1]=4 13066 B10R0.71 C#CCCNCCOCCC 2230a_100161115042_100000688953 [0,2,0,0,0,0|1,0,1]=4 13067 B10R0.71 C#CCCNCCOCCC 34a_100000755551_100011215938 [0,2,0,0,0,0|1,0,1]=4 13068 B10R0.71 C#CCCNCCOCCC 34a_100161115042_100000688953 [0,2,0,0,0,0|1,0,1]=4 13069 B10R0.71 C#CCCNCCSCCC 2230a_100020603323_100000688953 [0,2,0,0,0,0|1,0,1]=4 13070 B10R0.71 C#CCCNCOCCCC 34a_100000755551_100011995733 [0,2,0,0,0,0|1,0,1]=4 13071 B10R0.71 C#CCCOCCCCC=C 34a_100000766645_100000688953 [0,2,0,0,0,0|1,0,1]=4 13072 B10R0.71 C#CCCOCCCCC=C 34a_100011215631_100011215482 [0,2,0,0,0,0|1,0,1]=4 13073 B10R0.71 C#CCCOCCCCC=C 7a_100000766645_100000688953 [0,2,0,0,0,0|1,0,1]=4 13074 B10R0.71 C#CCCOCCCCCBr 34a_100000746331_100000688953 [0,2,0,0,0,0|1,0,1]=4 13075 B10R0.71 C#CCCOCCCCCBr 7a_100000746331_100000688953 [0,2,0,0,0,0|1,0,1]=4 13076 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,2,0,0,0,0|1,0,1]=4 13077 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,2,0,0,0,0|1,0,1]=4 13078 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,2,0,0,0,0|1,0,1]=4 13079 B10R0.71 C#CCCOCCCCCCl 34a_100000746330_100000688953 [0,2,0,0,0,0|1,0,1]=4 13080 B10R0.71 C#CCCOCCCCCCl 7a_100000746330_100000688953 [0,2,0,0,0,0|1,0,1]=4 13081 B10R0.71 C#CCCOCCCCCF 34a_100011215631_100000729378 [0,2,0,0,0,0|1,0,1]=4 13082 B10R0.71 C#CCCOCCCCCI 34a_200012148887_100000688953 [0,2,0,0,0,0|1,0,1]=4 13083 B10R0.71 C#CCCOCCCCCI 7a_200012148887_100000688953 [0,2,0,0,0,0|1,0,1]=4 13084 B10R0.71 C#CCCOCCCCCN 34a_100000762737_100000688953 [0,2,0,0,0,0|1,0,1]=4 13085 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [0,2,0,0,0,0|1,0,1]=4 13086 B10R0.71 C#CCCOCCCCOC 34a_100000740925_100000688953 [0,2,0,0,0,0|1,0,1]=4 13087 B10R0.71 C#CCCOCCCCOC 34a_100011215631_100000755781 [0,2,0,0,0,0|1,0,1]=4 13088 B10R0.71 C#CCCOCCCCSC 34a_100011217163_100000688953 [0,2,0,0,0,0|1,0,1]=4 13089 B10R0.71 C#CCCOCCCCSC 7a_100011217163_100000688953 [0,2,0,0,0,0|1,0,1]=4 13090 B10R0.71 C#CCCOCCCOCC 34a_100000757476_100000688953 [0,2,0,0,0,0|1,0,1]=4 13091 B10R0.71 C#CCCOCCCOCC 34a_100011215631_100012232248 [0,2,0,0,0,0|1,0,1]=4 13092 B10R0.71 C#CCCOCCCOCC 7a_100000757476_100000688953 [0,2,0,0,0,0|1,0,1]=4 13093 B10R0.71 C#CCCOCCCSCC 34a_100011216438_100000688953 [0,2,0,0,0,0|1,0,1]=4 13094 B10R0.71 C#CCCOCCCSCC 7a_100011216438_100000688953 [0,2,0,0,0,0|1,0,1]=4 13095 B10R0.71 C#CCCOCCOCCC 34a_100000752267_100000688953 [0,2,0,0,0,0|1,0,1]=4 13096 B10R0.71 C#CCCOCCOCCC 34a_100011215631_100011215938 [0,2,0,0,0,0|1,0,1]=4 13097 B10R0.71 C#CCCOCCOCCC 7a_100000752267_100000688953 [0,2,0,0,0,0|1,0,1]=4 13098 B10R0.71 C#CCCOCCSCCC 34a_200000230433_100000688953 [0,2,0,0,0,0|1,0,1]=4 13099 B10R0.71 C#CCCOCCSCCC 7a_200000230433_100000688953 [0,2,0,0,0,0|1,0,1]=4 13100 B10R0.71 C#CCCOCOCCCC 34a_100011215631_100011995733 [0,2,0,0,0,0|1,0,1]=4 13101 B10R0.71 C#CCCSCCCCC=C 62a_100000688953_100011215482 [0,2,0,0,0,0|1,0,1]=4 13102 B10R0.71 C#CCCSCCCCC=C 62a_100011215482_100000688953 [0,2,0,0,0,0|1,0,1]=4 13103 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [0,2,0,0,0,0|0,0,1]=3 13104 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [0,2,0,0,0,0|0,0,1]=3 13105 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [0,2,0,0,0,0|1,0,1]=4 13106 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [0,2,0,0,0,0|1,0,1]=4 13107 B10R0.71 C#CCCSCCCCCF 62a_100000688953_100000729378 [0,2,0,0,0,0|1,0,1]=4 13108 B10R0.71 C#CCCSCCCCCF 62a_100000729378_100000688953 [0,2,0,0,0,0|1,0,1]=4 13109 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [0,2,0,0,0,0|1,0,1]=4 13110 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [0,2,0,0,0,0|1,0,1]=4 13111 B10R0.71 C#CCCSCCCCOC 62a_100000688953_100000730899 [0,2,0,0,0,0|1,0,1]=4 13112 B10R0.71 C#CCCSCCCCOC 62a_100000730899_100000688953 [0,2,0,0,0,0|1,0,1]=4 13113 B10R0.71 C#CCCSCCCOCC 62a_100000688953_100012232248 [0,2,0,0,0,0|1,0,1]=4 13114 B10R0.71 C#CCCSCCCOCC 62a_100012232248_100000688953 [0,2,0,0,0,0|1,0,1]=4 13115 B10R0.71 C#CCCSCCOCCC 62a_100000688953_100011215938 [0,2,0,0,0,0|1,0,1]=4 13116 B10R0.71 C#CCCSCCOCCC 62a_100011215938_100000688953 [0,2,0,0,0,0|1,0,1]=4 13117 B10R0.71 C#CCCSCOCCCC 62a_100000688953_100011995733 [0,2,0,0,0,0|1,0,1]=4 13118 B10R0.71 C#CCCSCOCCCC 62a_100011995733_100000688953 [0,2,0,0,0,0|1,0,1]=4 13119 B10R0.71 C#CCNCCCCCC=C 34a_100000212058_100000700193 [0,2,0,0,0,0|1,0,1]=4 13120 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [0,2,0,0,0,0|1,0,1]=4 13121 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [0,2,0,0,0,0|1,0,1]=4 13122 B10R0.71 C#CCNCCCCCCF 34a_100000212058_100015922095 [0,2,0,0,0,0|1,0,1]=4 13123 B10R0.71 C#CCNCCCCCCO 2230a_100000686447_100000038162 [0,2,0,0,0,0|1,0,1]=4 13124 B10R0.71 C#CCNCCCCCCO 34a_100000212058_100000766143 [0,2,0,0,0,0|1,0,1]=4 13125 B10R0.71 C#CCNCCCCCCO 34a_100000686447_100000184674 [0,2,0,0,0,0|1,0,1]=4 13126 B10R0.71 C#CCNCCCCCOC 2230a_100000747528_100000038162 [0,2,0,0,0,0|1,0,1]=4 13127 B10R0.71 C#CCNCCCCCOC 34a_100000747528_100000184674 [0,2,0,0,0,0|1,0,1]=4 13128 B10R0.71 C#CCNCCCOCCC 2230a_100011217757_100000038162 [0,2,0,0,0,0|1,0,1]=4 13129 B10R0.71 C#CCNCCCOCCC 34a_100011217757_100000184674 [0,2,0,0,0,0|1,0,1]=4 13130 B10R0.71 C#CCNCCOCCCC 34a_100000212058_100000743108 [0,2,0,0,0,0|1,0,1]=4 13131 B10R0.71 C#CCNCCSCCCC 2230a_100025743550_100000038162 [0,2,0,0,0,0|1,0,1]=4 13132 B10R0.71 C#CCOCCCCCC=C 34a_100000210247_100000700193 [0,2,0,0,0,0|1,0,1]=4 13133 B10R0.71 C#CCOCCCCCC=C 34a_100011216702_100000184674 [0,2,0,0,0,0|1,0,1]=4 13134 B10R0.71 C#CCOCCCCCC=C 7a_100011216702_100000038162 [0,2,0,0,0,0|1,0,1]=4 13135 B10R0.71 C#CCOCCCCCCBr 34a_100011215345_100000184674 [0,2,0,0,0,0|1,0,1]=4 13136 B10R0.71 C#CCOCCCCCCBr 7a_100011215345_100000038162 [0,2,0,0,0,0|1,0,1]=4 13137 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [0,2,0,0,0,0|1,0,1]=4 13138 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [0,2,0,0,0,0|1,0,1]=4 13139 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [0,2,0,0,0,0|1,0,1]=4 13140 B10R0.71 C#CCOCCCCCCCl 34a_100000766143_100000184674 [0,2,0,0,0,0|1,0,1]=4 13141 B10R0.71 C#CCOCCCCCCCl 7a_100000766143_100000038162 [0,2,0,0,0,0|1,0,1]=4 13142 B10R0.71 C#CCOCCCCCCF 34a_100000210247_100015922095 [0,2,0,0,0,0|1,0,1]=4 13143 B10R0.71 C#CCOCCCCCCF 34a_100000732779_100000184674 [0,2,0,0,0,0|1,0,1]=4 13144 B10R0.71 C#CCOCCCCCCF 7a_100000732779_100000038162 [0,2,0,0,0,0|1,0,1]=4 13145 B10R0.71 C#CCOCCCCCCN 34a_100000686447_100000184674 [0,2,0,0,0,0|1,0,1]=4 13146 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [0,2,0,0,0,0|1,0,1]=4 13147 B10R0.71 C#CCOCCCCCNC 34a_100000722520_100000184674 [0,2,0,0,0,0|1,0,1]=4 13148 B10R0.71 C#CCOCCNCCCC 2230a_100000102301_100010402529 [0,2,0,0,0,0|1,0,1]=4 13149 B10R0.71 C#CCOCCNCCCC 2230a_100000700922_100000210211 [0,2,0,0,0,0|1,0,1]=4 13150 B10R0.71 C#CCOCCNCCCC 34a_100000700922_100000210210 [0,2,0,0,0,0|1,0,1]=4 13151 B10R0.71 C#CCOCCNCCCC 7a_106832991798_100010402529 [0,2,0,0,0,0|1,0,1]=4 13152 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [0,2,0,0,0,0|1,0,1]=4 13153 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [0,2,0,0,0,0|1,0,1]=4 13154 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [0,2,0,0,0,0|1,0,1]=4 13155 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [0,2,0,0,0,0|1,0,1]=4 13156 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [0,2,0,0,0,0|1,0,1]=4 13157 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [0,2,0,0,0,0|1,0,1]=4 13158 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [0,2,0,0,0,0|1,0,1]=4 13159 B10R0.71 C#CCOCCSCCCC 34a_200000230436_100000184674 [0,2,0,0,0,0|1,0,1]=4 13160 B10R0.71 C#CCOCCSCCCC 62a_100000210211_100010402529 [0,2,0,0,0,0|1,0,1]=4 13161 B10R0.71 C#CCOCCSCCCC 62a_100010402529_100000210210 [0,2,0,0,0,0|1,0,1]=4 13162 B10R0.71 C#CCOCCSCCCC 7a_200000230436_100000038162 [0,2,0,0,0,0|1,0,1]=4 13163 B10R0.71 C#CCSCCCCCC=C 62a_100000038162_100000700193 [0,2,0,0,0,0|1,0,1]=4 13164 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [0,2,0,0,0,0|0,0,1]=3 13165 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [0,2,0,0,0,0|1,0,1]=4 13166 B10R0.71 C#CCSCCCCCCF 62a_100000038162_100015922095 [0,2,0,0,0,0|1,0,1]=4 13167 B10R0.71 C#CCSCCCCCCO 62a_100000038162_100000766143 [0,2,0,0,0,0|1,0,1]=4 13168 B10R0.71 C#CCSCCOCCCC 62a_100000038162_100000743108 [0,2,0,0,0,0|1,0,1]=4 13169 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,2,0,0,0,0|1,0,0]=3 13170 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,2,0,0,0,0|1,0,1]=4 13171 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,2,0,0,0,0|1,0,1]=4 13172 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [0,2,0,0,0,0|1,0,1]=4 13173 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [0,2,0,0,0,0|1,0,1]=4 13174 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [0,2,0,0,0,0|1,0,1]=4 13175 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [0,2,0,0,0,0|1,0,1]=4 13176 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [0,2,0,0,0,0|1,0,1]=4 13177 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [0,2,0,0,0,0|1,0,1]=4 13178 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [0,2,0,0,0,0|1,0,1]=4 13179 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [0,2,0,0,0,0|1,0,1]=4 13180 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,2,0,0,0,0|1,0,0]=3 13181 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,2,0,0,0,0|1,0,0]=3 13182 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,2,0,0,0,0|1,0,0]=3 13183 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [0,2,0,0,0,0|1,0,1]=4 13184 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [0,2,0,0,0,0|1,0,1]=4 13185 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [0,2,0,0,0,0|1,0,1]=4 13186 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [0,2,0,0,0,0|1,0,1]=4 13187 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [0,2,0,0,0,0|1,0,1]=4 13188 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [0,2,0,0,0,0|1,0,1]=4 13189 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,2,0,0,0,0|1,0,1]=4 13190 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [0,2,0,0,0,0|1,0,1]=4 13191 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [0,2,0,0,0,0|1,0,1]=4 13192 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [0,2,0,0,0,0|1,0,1]=4 13193 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [0,2,0,0,0,0|1,0,1]=4 13194 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [0,2,0,0,0,0|1,0,1]=4 13195 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [0,2,0,0,0,0|1,0,1]=4 13196 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [0,2,0,0,0,0|1,0,1]=4 13197 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [0,2,0,0,0,0|1,0,1]=4 13198 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [0,2,0,0,0,0|1,0,1]=4 13199 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [0,2,0,0,0,0|1,0,1]=4 13200 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [0,2,0,0,0,0|1,0,1]=4 13201 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [0,2,0,0,0,0|1,0,1]=4 13202 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [0,2,0,0,0,0|1,0,1]=4 13203 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [0,2,0,0,0,0|1,0,1]=4 13204 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [0,2,0,0,0,0|1,0,1]=4 13205 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [0,2,0,0,0,0|0,0,1]=3 13206 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [0,2,0,0,0,0|0,0,1]=3 13207 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,2,0,0,0,0|1,0,0]=3 13208 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,2,0,0,0,0|1,0,0]=3 13209 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [0,2,0,0,0,0|1,0,1]=4 13210 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [0,2,0,0,0,0|1,0,1]=4 13211 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [0,2,0,0,0,0|1,0,1]=4 13212 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [0,2,0,0,0,0|1,0,1]=4 13213 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [0,2,0,0,0,0|1,0,1]=4 13214 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [0,2,0,0,0,0|1,0,1]=4 13215 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [0,2,0,0,0,0|1,0,1]=4 13216 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [0,2,0,0,0,0|1,0,1]=4 13217 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [0,2,0,0,0,0|1,0,1]=4 13218 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [0,2,0,0,0,0|1,0,1]=4 13219 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [0,2,0,0,0,0|1,0,1]=4 13220 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [0,2,0,0,0,0|1,0,1]=4 13221 B10R0.71 C=CCCC/C=C/COCC 34a_200016268473_100000210202 [0,2,0,0,0,0|1,0,1]=4 13222 B10R0.71 C=CCCC/C=C/COCC 7a_200016268473_100000210202 [0,2,0,0,0,0|1,0,1]=4 13223 B10R0.71 C=CCCC=NNCCCC 4a_100025702795_100011216789 [0,2,0,0,0,0|1,0,1]=4 13224 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,2,0,0,0,0|1,0,0]=3 13225 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,2,0,0,0,0|1,0,0]=3 13226 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,2,0,0,0,0|1,0,0]=3 13227 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,2,0,0,0,0|1,0,0]=3 13228 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,2,0,0,0,0|1,0,0]=3 13229 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,2,0,0,0,0|1,0,0]=3 13230 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,2,0,0,0,0|1,0,0]=3 13231 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,2,0,0,0,0|1,0,0]=3 13232 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,2,0,0,0,0|1,0,0]=3 13233 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,2,0,0,0,0|1,0,0]=3 13234 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,2,0,0,0,0|1,0,0]=3 13235 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,2,0,0,0,0|1,0,0]=3 13236 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,2,0,0,0,0|1,0,0]=3 13237 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,2,0,0,0,0|1,0,0]=3 13238 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,2,0,0,0,0|1,0,0]=3 13239 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,2,0,0,0,0|1,0,0]=3 13240 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [0,2,0,0,0,0|1,0,0]=3 13241 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [0,2,0,0,0,0|1,0,0]=3 13242 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,2,0,0,0,0|1,0,0]=3 13243 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,2,0,0,0,0|1,0,0]=3 13244 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [0,2,0,0,0,0|1,0,0]=3 13245 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [0,2,0,0,0,0|1,0,0]=3 13246 B10R0.71 C=CCCCCCNCC=C 2230a_100020586998_100000700193 [0,2,0,0,0,0|1,0,1]=4 13247 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [0,2,0,0,0,0|1,0,0]=3 13248 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,2,0,0,0,0|1,0,0]=3 13249 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,2,0,0,0,0|1,0,0]=3 13250 B10R0.71 C=CCCCCCOCC#N 7a_100011216702_100011215382 [0,2,0,0,0,0|1,0,1]=4 13251 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [0,2,0,0,0,0|1,0,1]=4 13252 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [0,2,0,0,0,0|1,0,1]=4 13253 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [0,2,0,0,0,0|1,0,1]=4 13254 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [0,2,0,0,0,0|0,0,1]=3 13255 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [0,2,0,0,0,0|0,0,1]=3 13256 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [0,2,0,0,0,0|1,0,0]=3 13257 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,2,0,0,0,0|1,0,0]=3 13258 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,2,0,0,0,0|1,0,0]=3 13259 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,2,0,0,0,0|1,0,0]=3 13260 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [0,2,0,0,0,0|1,0,0]=3 13261 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [0,2,0,0,0,0|1,0,0]=3 13262 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [0,2,0,0,0,0|1,0,0]=3 13263 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,2,0,0,0,0|1,0,0]=3 13264 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,2,0,0,0,0|1,0,0]=3 13265 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [0,2,0,0,0,0|1,0,0]=3 13266 B10R0.71 C=CCCCCCSCC#N 62a_100000700193_100011215382 [0,2,0,0,0,0|1,0,1]=4 13267 B10R0.71 C=CCCCCCSCC#N 62a_100011215382_100000700193 [0,2,0,0,0,0|1,0,1]=4 13268 B10R0.71 C=CCCCCCSCC=C 62a_100000210623_100000700193 [0,2,0,0,0,0|1,0,1]=4 13269 B10R0.71 C=CCCCCCSCC=C 62a_100000700193_100000210623 [0,2,0,0,0,0|1,0,1]=4 13270 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [0,2,0,0,0,0|0,0,1]=3 13271 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [0,2,0,0,0,0|0,0,1]=3 13272 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,2,0,0,0,0|1,0,0]=3 13273 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,2,0,0,0,0|1,0,0]=3 13274 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [0,2,0,0,0,0|1,0,0]=3 13275 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [0,2,0,0,0,0|1,0,0]=3 13276 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,2,0,0,0,0|1,0,0]=3 13277 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,2,0,0,0,0|1,0,0]=3 13278 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [0,2,0,0,0,0|1,0,0]=3 13279 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [0,2,0,0,0,0|1,0,0]=3 13280 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [0,2,0,0,0,0|1,0,0]=3 13281 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [0,2,0,0,0,0|1,0,0]=3 13282 B10R0.71 C=CCCCCNC/C=C/C 34a_100000703577_100102629194 [0,2,0,0,0,0|1,0,1]=4 13283 B10R0.71 C=CCCCCNCC#CC 2230a_100000685387_100011215482 [0,2,0,0,0,0|1,0,1]=4 13284 B10R0.71 C=CCCCCNCC#CC 2230a_100000703577_100000748600 [0,2,0,0,0,0|1,0,1]=4 13285 B10R0.71 C=CCCCCNCC#CC 34a_100000685387_100011215482 [0,2,0,0,0,0|1,0,1]=4 13286 B10R0.71 C=CCCCCNCC#CC 34a_100000703577_100000748600 [0,2,0,0,0,0|1,0,1]=4 13287 B10R0.71 C=CCCCCNCC=CC 2230a_100000703577_100000070051 [0,2,0,0,0,0|1,0,1]=4 13288 B10R0.71 C=CCCCCNCC=CC 34a_100000703577_100000070051 [0,2,0,0,0,0|1,0,1]=4 13289 B10R0.71 C=CCCCCNCCC#N 2230a_100000703577_100011215226 [0,2,0,0,0,0|1,0,1]=4 13290 B10R0.71 C=CCCCCNCCC=C 2230a_100000703577_100000754431 [0,2,0,0,0,0|1,0,1]=4 13291 B10R0.71 C=CCCCCNCCC=C 2230a_100015191253_100011215482 [0,2,0,0,0,0|1,0,1]=4 13292 B10R0.71 C=CCCCCNCCC=C 34a_100000703577_100000754431 [0,2,0,0,0,0|1,0,1]=4 13293 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [0,2,0,0,0,0|1,0,0]=3 13294 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [0,2,0,0,0,0|1,0,0]=3 13295 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [0,2,0,0,0,0|1,0,0]=3 13296 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [0,2,0,0,0,0|1,0,0]=3 13297 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [0,2,0,0,0,0|1,0,0]=3 13298 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [0,2,0,0,0,0|1,0,0]=3 13299 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [0,2,0,0,0,0|1,0,0]=3 13300 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [0,2,0,0,0,0|1,0,0]=3 13301 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,2,0,0,0,0|1,0,0]=3 13302 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,2,0,0,0,0|1,0,0]=3 13303 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,2,0,0,0,0|1,0,0]=3 13304 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,2,0,0,0,0|1,0,0]=3 13305 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,2,0,0,0,0|1,0,0]=3 13306 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,2,0,0,0,0|1,0,0]=3 13307 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,2,0,0,0,0|1,0,0]=3 13308 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,2,0,0,0,0|1,0,0]=3 13309 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [0,2,0,0,0,0|1,0,1]=4 13310 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [0,2,0,0,0,0|1,0,1]=4 13311 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [0,2,0,0,0,0|1,0,1]=4 13312 B10R0.71 C=CCCCCOCC#CC 34a_100000761923_100011215482 [0,2,0,0,0,0|1,0,1]=4 13313 B10R0.71 C=CCCCCOCC#CC 34a_100000766645_100000748600 [0,2,0,0,0,0|1,0,1]=4 13314 B10R0.71 C=CCCCCOCC#CC 7a_100000766645_100000748600 [0,2,0,0,0,0|1,0,1]=4 13315 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [0,2,0,0,0,0|1,0,1]=4 13316 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [0,2,0,0,0,0|1,0,1]=4 13317 B10R0.71 C=CCCCCOCCC#N 7a_100000766645_100000184422 [0,2,0,0,0,0|1,0,1]=4 13318 B10R0.71 C=CCCCCOCCC=C 34a_100000766645_100000754431 [0,2,0,0,0,0|1,0,1]=4 13319 B10R0.71 C=CCCCCOCCC=C 34a_100011205117_100011215482 [0,2,0,0,0,0|1,0,1]=4 13320 B10R0.71 C=CCCCCOCCC=C 7a_100000766645_100000754431 [0,2,0,0,0,0|1,0,1]=4 13321 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [0,2,0,0,0,0|1,0,0]=3 13322 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,2,0,0,0,0|1,0,0]=3 13323 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,2,0,0,0,0|1,0,0]=3 13324 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,2,0,0,0,0|1,0,0]=3 13325 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,2,0,0,0,0|1,0,0]=3 13326 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [0,2,0,0,0,0|1,0,0]=3 13327 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [0,2,0,0,0,0|1,0,0]=3 13328 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [0,2,0,0,0,0|1,0,0]=3 13329 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [0,2,0,0,0,0|1,0,0]=3 13330 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [0,2,0,0,0,0|1,0,0]=3 13331 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,2,0,0,0,0|1,0,0]=3 13332 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,2,0,0,0,0|1,0,0]=3 13333 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,2,0,0,0,0|1,0,0]=3 13334 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,2,0,0,0,0|1,0,0]=3 13335 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,2,0,0,0,0|1,0,0]=3 13336 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [0,2,0,0,0,0|2,0,0]=4 13337 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,2,0,0,0,0|1,0,0]=3 13338 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,2,0,0,0,0|1,0,0]=3 13339 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,2,0,0,0,0|1,0,0]=3 13340 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,2,0,0,0,0|1,0,0]=3 13341 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [0,2,0,0,0,0|1,0,1]=4 13342 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [0,2,0,0,0,0|1,0,1]=4 13343 B10R0.71 C=CCCCCSCC#CC 62a_100000748600_100011215482 [0,2,0,0,0,0|1,0,1]=4 13344 B10R0.71 C=CCCCCSCC#CC 62a_100011215482_100000748600 [0,2,0,0,0,0|1,0,1]=4 13345 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [0,2,0,0,0,0|1,0,1]=4 13346 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [0,2,0,0,0,0|1,0,1]=4 13347 B10R0.71 C=CCCCCSCCC#N 62a_100011215226_100011215482 [0,2,0,0,0,0|1,0,1]=4 13348 B10R0.71 C=CCCCCSCCC#N 62a_100011215482_100011215226 [0,2,0,0,0,0|1,0,1]=4 13349 B10R0.71 C=CCCCCSCCC=C 62a_100000754431_100011215482 [0,2,0,0,0,0|1,0,1]=4 13350 B10R0.71 C=CCCCCSCCC=C 62a_100011215482_100000754431 [0,2,0,0,0,0|1,0,1]=4 13351 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [0,2,0,0,0,0|1,0,0]=3 13352 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [0,2,0,0,0,0|1,0,0]=3 13353 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [0,2,0,0,0,0|1,0,0]=3 13354 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [0,2,0,0,0,0|1,0,0]=3 13355 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,2,0,0,0,0|1,0,0]=3 13356 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,2,0,0,0,0|1,0,0]=3 13357 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,2,0,0,0,0|1,0,0]=3 13358 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,2,0,0,0,0|1,0,0]=3 13359 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,2,0,0,0,0|1,0,0]=3 13360 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,2,0,0,0,0|1,0,0]=3 13361 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [0,2,0,0,0,0|1,0,0]=3 13362 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [0,2,0,0,0,0|1,0,0]=3 13363 B10R0.71 C=CCCCNC/C=C\CC 2230a_100000700776_100103147603 [0,2,0,0,0,0|1,0,1]=4 13364 B10R0.71 C=CCCCNC/C=C\CC 34a_100000700776_100103147603 [0,2,0,0,0,0|1,0,1]=4 13365 B10R0.71 C=CCCCNCC#CCC 2230a_100000700776_100009813939 [0,2,0,0,0,0|1,0,1]=4 13366 B10R0.71 C=CCCCNCC#CCC 34a_100000700776_100009813939 [0,2,0,0,0,0|1,0,1]=4 13367 B10R0.71 C=CCCCNCCCC#N 2230a_100000700776_100000687738 [0,2,0,0,0,0|1,0,1]=4 13368 B10R0.71 C=CCCCNCCCC=C 2230a_100000700776_100011713584 [0,2,0,0,0,0|1,0,1]=4 13369 B10R0.71 C=CCCCNCCCC=C 34a_100000700776_100000757094 [0,2,0,0,0,0|1,0,1]=4 13370 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [0,2,0,0,0,0|0,0,1]=3 13371 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,2,0,0,0,0|1,0,0]=3 13372 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,2,0,0,0,0|1,0,0]=3 13373 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,2,0,0,0,0|1,0,0]=3 13374 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [0,2,0,0,0,0|1,0,0]=3 13375 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [0,2,0,0,0,0|1,0,0]=3 13376 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [0,2,0,0,0,0|1,0,0]=3 13377 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [0,2,0,0,0,0|1,0,0]=3 13378 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [0,2,0,0,0,0|1,0,0]=3 13379 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [0,2,0,0,0,0|1,0,0]=3 13380 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [0,2,0,0,0,0|1,0,0]=3 13381 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [0,2,0,0,0,0|1,0,0]=3 13382 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [0,2,0,0,0,0|1,0,0]=3 13383 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [0,2,0,0,0,0|1,0,0]=3 13384 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [0,2,0,0,0,0|1,0,0]=3 13385 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [0,2,0,0,0,0|1,0,0]=3 13386 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [0,2,0,0,0,0|1,0,0]=3 13387 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [0,2,0,0,0,0|1,0,0]=3 13388 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [0,2,0,0,0,0|1,0,0]=3 13389 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [0,2,0,0,0,0|1,0,0]=3 13390 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [0,2,0,0,0,0|1,0,0]=3 13391 B10R0.71 C=CCCCOC/C=C\CC 34a_100000758997_100103147603 [0,2,0,0,0,0|1,0,1]=4 13392 B10R0.71 C=CCCCOC/C=C\CC 34a_100016268518_100000757094 [0,2,0,0,0,0|1,0,1]=4 13393 B10R0.71 C=CCCCOC/C=C\CC 7a_100000758997_100103147603 [0,2,0,0,0,0|1,0,1]=4 13394 B10R0.71 C=CCCCOCC#CCC 34a_100000032950_100000757094 [0,2,0,0,0,0|1,0,1]=4 13395 B10R0.71 C=CCCCOCC#CCC 34a_100000758997_100009813939 [0,2,0,0,0,0|1,0,1]=4 13396 B10R0.71 C=CCCCOCC#CCC 7a_100000758997_100009813939 [0,2,0,0,0,0|1,0,1]=4 13397 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [0,2,0,0,0,0|1,0,1]=4 13398 B10R0.71 C=CCCCOCCC#CC 34a_100000750427_100000757094 [0,2,0,0,0,0|1,0,1]=4 13399 B10R0.71 C=CCCCOCCCC#N 7a_100000758997_100000687738 [0,2,0,0,0,0|1,0,1]=4 13400 B10R0.71 C=CCCCOCCCC=C 34a_100000758997_100000757094 [0,2,0,0,0,0|1,0,1]=4 13401 B10R0.71 C=CCCCOCCCC=C 7a_100000758997_100000757094 [0,2,0,0,0,0|1,0,1]=4 13402 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [0,2,0,0,0,0|0,0,1]=3 13403 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [0,2,0,0,0,0|1,0,0]=3 13404 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,2,0,0,0,0|1,0,0]=3 13405 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,2,0,0,0,0|1,0,0]=3 13406 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,2,0,0,0,0|1,0,0]=3 13407 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,2,0,0,0,0|1,0,0]=3 13408 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [0,2,0,0,0,0|1,0,0]=3 13409 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [0,2,0,0,0,0|1,0,0]=3 13410 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [0,2,0,0,0,0|1,0,0]=3 13411 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [0,2,0,0,0,0|1,0,0]=3 13412 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [0,2,0,0,0,0|1,0,0]=3 13413 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [0,2,0,0,0,0|1,0,0]=3 13414 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [0,2,0,0,0,0|1,0,0]=3 13415 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [0,2,0,0,0,0|1,0,0]=3 13416 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [0,2,0,0,0,0|1,0,0]=3 13417 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [0,2,0,0,0,0|1,0,0]=3 13418 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [0,2,0,0,0,0|1,0,0]=3 13419 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [0,2,0,0,0,0|1,0,0]=3 13420 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [0,2,0,0,0,0|1,0,0]=3 13421 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [0,2,0,0,0,0|1,0,0]=3 13422 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [0,2,0,0,0,0|1,0,0]=3 13423 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [0,2,0,0,0,0|1,0,0]=3 13424 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,2,0,0,0,0|1,0,0]=3 13425 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,2,0,0,0,0|1,0,0]=3 13426 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,2,0,0,0,0|1,0,0]=3 13427 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,2,0,0,0,0|1,0,0]=3 13428 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [0,2,0,0,0,0|1,0,0]=3 13429 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [0,2,0,0,0,0|1,0,0]=3 13430 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [0,2,0,0,0,0|1,0,0]=3 13431 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [0,2,0,0,0,0|1,0,0]=3 13432 B10R0.71 C=CCCCSC/C=C\CC 62a_100011713584_100103147603 [0,2,0,0,0,0|1,0,1]=4 13433 B10R0.71 C=CCCCSC/C=C\CC 62a_100103147603_100000757094 [0,2,0,0,0,0|1,0,1]=4 13434 B10R0.71 C=CCCCSCC#CCC 62a_100009813939_100000757094 [0,2,0,0,0,0|1,0,1]=4 13435 B10R0.71 C=CCCCSCC#CCC 62a_100011713584_100009813939 [0,2,0,0,0,0|1,0,1]=4 13436 B10R0.71 C=CCCCSCCCC#N 62a_100000687738_100000757094 [0,2,0,0,0,0|1,0,1]=4 13437 B10R0.71 C=CCCCSCCCC#N 62a_100011713584_100000687738 [0,2,0,0,0,0|1,0,1]=4 13438 B10R0.71 C=CCCCSCCCC=C 62a_100011713584_100000757094 [0,2,0,0,0,0|1,0,1]=4 13439 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [0,2,0,0,0,0|0,0,1]=3 13440 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [0,2,0,0,0,0|0,0,1]=3 13441 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,2,0,0,0,0|1,0,0]=3 13442 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,2,0,0,0,0|1,0,0]=3 13443 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [0,2,0,0,0,0|1,0,0]=3 13444 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [0,2,0,0,0,0|1,0,0]=3 13445 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [0,2,0,0,0,0|1,0,0]=3 13446 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [0,2,0,0,0,0|1,0,0]=3 13447 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [0,2,0,0,0,0|1,0,0]=3 13448 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [0,2,0,0,0,0|1,0,0]=3 13449 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [0,2,0,0,0,0|1,0,0]=3 13450 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [0,2,0,0,0,0|1,0,0]=3 13451 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [0,2,0,0,0,0|1,0,0]=3 13452 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [0,2,0,0,0,0|1,0,0]=3 13453 B10R0.71 C=CCCNCC/C=C\CC 2230a_100015191253_100015370543 [0,2,0,0,0,0|1,0,1]=4 13454 B10R0.71 C=CCCNCCCCC#N 2230a_100015191253_100000211819 [0,2,0,0,0,0|1,0,1]=4 13455 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [0,2,0,0,0,0|0,0,1]=3 13456 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,2,0,0,0,0|1,0,0]=3 13457 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,2,0,0,0,0|1,0,0]=3 13458 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [0,2,0,0,0,0|1,0,0]=3 13459 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,2,0,0,0,0|1,0,0]=3 13460 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,2,0,0,0,0|1,0,0]=3 13461 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,2,0,0,0,0|1,0,0]=3 13462 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [0,2,0,0,0,0|1,0,0]=3 13463 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [0,2,0,0,0,0|1,0,0]=3 13464 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [0,2,0,0,0,0|1,0,0]=3 13465 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [0,2,0,0,0,0|1,0,0]=3 13466 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,2,0,0,0,0|1,0,0]=3 13467 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,2,0,0,0,0|1,0,0]=3 13468 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,2,0,0,0,0|1,0,0]=3 13469 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [0,2,0,0,0,0|2,0,0]=4 13470 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [0,2,0,0,0,0|2,0,0]=4 13471 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [0,2,0,0,0,0|2,0,0]=4 13472 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [0,2,0,0,0,0|1,0,0]=3 13473 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [0,2,0,0,0,0|2,0,0]=4 13474 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [0,2,0,0,0,0|1,0,0]=3 13475 B10R0.71 C=CCCNCOCCOC 2230a_100015191253_100000231047 [0,2,0,0,0,0|2,0,0]=4 13476 B10R0.71 C=CCCOC/C=C/CCC 34a_100016278788_100000754431 [0,2,0,0,0,0|1,0,1]=4 13477 B10R0.71 C=CCCOC/C=C/CCC 7a_100016278788_100000754431 [0,2,0,0,0,0|1,0,1]=4 13478 B10R0.71 C=CCCOCC#CCCC 34a_100000034806_100000754431 [0,2,0,0,0,0|1,0,1]=4 13479 B10R0.71 C=CCCOCC#CCCC 7a_100000034806_100000754431 [0,2,0,0,0,0|1,0,1]=4 13480 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [0,2,0,0,0,0|1,0,1]=4 13481 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [0,2,0,0,0,0|1,0,1]=4 13482 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [0,2,0,0,0,0|1,0,1]=4 13483 B10R0.71 C=CCCOCCC#CCC 34a_100000036655_100000754431 [0,2,0,0,0,0|1,0,1]=4 13484 B10R0.71 C=CCCOCCC#CCC 7a_100000036655_100000754431 [0,2,0,0,0,0|1,0,1]=4 13485 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [0,2,0,0,0,0|1,0,1]=4 13486 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [0,2,0,0,0,0|1,0,0]=3 13487 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [0,2,0,0,0,0|1,0,0]=3 13488 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,2,0,0,0,0|1,0,0]=3 13489 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,2,0,0,0,0|1,0,0]=3 13490 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,2,0,0,0,0|1,0,0]=3 13491 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [0,2,0,0,0,0|1,0,0]=3 13492 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [0,2,0,0,0,0|1,0,0]=3 13493 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [0,2,0,0,0,0|1,0,0]=3 13494 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [0,2,0,0,0,0|1,0,0]=3 13495 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [0,2,0,0,0,0|1,0,0]=3 13496 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [0,2,0,0,0,0|1,0,0]=3 13497 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,2,0,0,0,0|1,0,0]=3 13498 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [0,2,0,0,0,0|1,0,0]=3 13499 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [0,2,0,0,0,0|1,0,0]=3 13500 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [0,2,0,0,0,0|1,0,0]=3 13501 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [0,2,0,0,0,0|1,0,0]=3 13502 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,2,0,0,0,0|1,0,0]=3 13503 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,2,0,0,0,0|1,0,0]=3 13504 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,2,0,0,0,0|1,0,0]=3 13505 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [0,2,0,0,0,0|1,0,0]=3 13506 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [0,2,0,0,0,0|1,0,0]=3 13507 B10R0.71 C=CCCOCCOCCBr 34a_100000692535_100000754431 [0,2,0,0,0,0|2,0,0]=4 13508 B10R0.71 C=CCCOCCOCCBr 7a_100000692535_100000754431 [0,2,0,0,0,0|2,0,0]=4 13509 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,2,0,0,0,0|1,0,0]=3 13510 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,2,0,0,0,0|1,0,0]=3 13511 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,2,0,0,0,0|1,0,0]=3 13512 B10R0.71 C=CCCOCCOCCCl 34a_100011215305_100000754431 [0,2,0,0,0,0|2,0,0]=4 13513 B10R0.71 C=CCCOCCOCCCl 7a_100011215305_100000754431 [0,2,0,0,0,0|2,0,0]=4 13514 B10R0.71 C=CCCOCCOCCF 34a_200015357709_100000754431 [0,2,0,0,0,0|2,0,0]=4 13515 B10R0.71 C=CCCOCCOCCF 7a_200015357709_100000754431 [0,2,0,0,0,0|2,0,0]=4 13516 B10R0.71 C=CCCOCCOCCI 34a_100012149058_100000754431 [0,2,0,0,0,0|2,0,0]=4 13517 B10R0.71 C=CCCOCCOCCI 7a_100012149058_100000754431 [0,2,0,0,0,0|2,0,0]=4 13518 B10R0.71 C=CCCOCCOCCN 34a_100000211614_100000754431 [0,2,0,0,0,0|2,0,0]=4 13519 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [0,2,0,0,0,0|2,0,0]=4 13520 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,2,0,0,0,0|1,0,0]=3 13521 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,2,0,0,0,0|1,0,0]=3 13522 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [0,2,0,0,0,0|1,0,0]=3 13523 B10R0.71 C=CCCSCC/C=C\CC 62a_100000754431_100015370543 [0,2,0,0,0,0|1,0,1]=4 13524 B10R0.71 C=CCCSCC/C=C\CC 62a_100015370543_100000754431 [0,2,0,0,0,0|1,0,1]=4 13525 B10R0.71 C=CCCSCCCCC#N 62a_100000754431_100000211819 [0,2,0,0,0,0|1,0,1]=4 13526 B10R0.71 C=CCCSCCCCC#N 62a_100011219923_100000754431 [0,2,0,0,0,0|1,0,1]=4 13527 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [0,2,0,0,0,0|0,0,1]=3 13528 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [0,2,0,0,0,0|0,0,1]=3 13529 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,2,0,0,0,0|1,0,0]=3 13530 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,2,0,0,0,0|1,0,0]=3 13531 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [0,2,0,0,0,0|1,0,0]=3 13532 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [0,2,0,0,0,0|1,0,0]=3 13533 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,2,0,0,0,0|1,0,0]=3 13534 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,2,0,0,0,0|1,0,0]=3 13535 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [0,2,0,0,0,0|1,0,0]=3 13536 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [0,2,0,0,0,0|1,0,0]=3 13537 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [0,2,0,0,0,0|1,0,0]=3 13538 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [0,2,0,0,0,0|1,0,0]=3 13539 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,2,0,0,0,0|1,0,0]=3 13540 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,2,0,0,0,0|1,0,0]=3 13541 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [0,2,0,0,0,0|2,0,0]=4 13542 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [0,2,0,0,0,0|2,0,0]=4 13543 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [0,2,0,0,0,0|1,0,0]=3 13544 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [0,2,0,0,0,0|1,0,0]=3 13545 B10R0.71 C=CCCSCOCCOC 62a_100000231047_100000754431 [0,2,0,0,0,0|2,0,0]=4 13546 B10R0.71 C=CCCSCOCCOC 62a_100000754431_100000231047 [0,2,0,0,0,0|2,0,0]=4 13547 B10R0.71 C=CCNCCCCCC#N 2230a_100020586998_100009813376 [0,2,0,0,0,0|1,0,1]=4 13548 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [0,2,0,0,0,0|0,0,1]=3 13549 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [0,2,0,0,0,0|1,0,0]=3 13550 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [0,2,0,0,0,0|1,0,0]=3 13551 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [0,2,0,0,0,0|1,0,0]=3 13552 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [0,2,0,0,0,0|1,0,0]=3 13553 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [0,2,0,0,0,0|1,0,0]=3 13554 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [0,2,0,0,0,0|1,0,0]=3 13555 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [0,2,0,0,0,0|1,0,0]=3 13556 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [0,2,0,0,0,0|1,0,0]=3 13557 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [0,2,0,0,0,0|1,0,0]=3 13558 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [0,2,0,0,0,0|1,0,0]=3 13559 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [0,2,0,0,0,0|1,0,0]=3 13560 B10R0.71 C=CCNCCOCCOC 2230a_100000745349_100000210623 [0,2,0,0,0,0|2,0,0]=4 13561 B10R0.71 C=CCNCCOCCOC 2230a_100020586998_100000695917 [0,2,0,0,0,0|2,0,0]=4 13562 B10R0.71 C=CCNCCOCCOC 34a_100000745349_100015514636 [0,2,0,0,0,0|2,0,0]=4 13563 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [0,2,0,0,0,0|1,0,0]=3 13564 B10R0.71 C=CCOC/C=C/CCCC 34a_200016272032_100015514636 [0,2,0,0,0,0|1,0,1]=4 13565 B10R0.71 C=CCOC/C=C/CCCC 7a_200016272032_100015514636 [0,2,0,0,0,0|1,0,1]=4 13566 B10R0.71 C=CCOCC#CCCCC 34a_200000034558_100015514636 [0,2,0,0,0,0|1,0,1]=4 13567 B10R0.71 C=CCOCC#CCCCC 7a_200000034558_100015514636 [0,2,0,0,0,0|1,0,1]=4 13568 B10R0.71 C=CCOCCC#CCCC 34a_100000042726_100015514636 [0,2,0,0,0,0|1,0,1]=4 13569 B10R0.71 C=CCOCCC#CCCC 7a_100000042726_100015514636 [0,2,0,0,0,0|1,0,1]=4 13570 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [0,2,0,0,0,0|1,0,1]=4 13571 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [0,2,0,0,0,0|1,0,1]=4 13572 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [0,2,0,0,0,0|1,0,0]=3 13573 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [0,2,0,0,0,0|1,0,0]=3 13574 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,2,0,0,0,0|1,0,0]=3 13575 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,2,0,0,0,0|1,0,0]=3 13576 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,2,0,0,0,0|1,0,0]=3 13577 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [0,2,0,0,0,0|1,0,0]=3 13578 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [0,2,0,0,0,0|1,0,0]=3 13579 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [0,2,0,0,0,0|1,0,0]=3 13580 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [0,2,0,0,0,0|1,0,0]=3 13581 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [0,2,0,0,0,0|1,0,0]=3 13582 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [0,2,0,0,0,0|1,0,0]=3 13583 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,2,0,0,0,0|1,0,0]=3 13584 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,2,0,0,0,0|1,0,0]=3 13585 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,2,0,0,0,0|1,0,0]=3 13586 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,2,0,0,0,0|1,0,0]=3 13587 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,2,0,0,0,0|1,0,0]=3 13588 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,2,0,0,0,0|1,0,0]=3 13589 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,2,0,0,0,0|1,0,0]=3 13590 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [0,2,0,0,0,0|2,0,0]=4 13591 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [0,2,0,0,0,0|2,0,0]=4 13592 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [0,2,0,0,0,0|2,0,0]=4 13593 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [0,2,0,0,0,0|2,0,0]=4 13594 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [0,2,0,0,0,0|2,0,0]=4 13595 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [0,2,0,0,0,0|2,0,0]=4 13596 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [0,2,0,0,0,0|2,0,0]=4 13597 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [0,2,0,0,0,0|2,0,0]=4 13598 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [0,2,0,0,0,0|2,0,0]=4 13599 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [0,2,0,0,0,0|2,0,0]=4 13600 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [0,2,0,0,0,0|2,0,0]=4 13601 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [0,2,0,0,0,0|2,0,0]=4 13602 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [0,2,0,0,0,0|2,0,0]=4 13603 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [0,2,0,0,0,0|2,0,0]=4 13604 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [0,2,0,0,0,0|2,0,0]=4 13605 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [0,2,0,0,0,0|2,0,0]=4 13606 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,2,0,0,0,0|1,0,0]=3 13607 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,2,0,0,0,0|1,0,0]=3 13608 B10R0.71 C=CCSCCCCCC#N 62a_100000210623_100009813376 [0,2,0,0,0,0|1,0,1]=4 13609 B10R0.71 C=CCSCCCCCC#N 62a_100009813376_100000210623 [0,2,0,0,0,0|1,0,1]=4 13610 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [0,2,0,0,0,0|0,0,1]=3 13611 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [0,2,0,0,0,0|0,0,1]=3 13612 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [0,2,0,0,0,0|1,0,0]=3 13613 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [0,2,0,0,0,0|1,0,0]=3 13614 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [0,2,0,0,0,0|1,0,0]=3 13615 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [0,2,0,0,0,0|1,0,0]=3 13616 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [0,2,0,0,0,0|1,0,0]=3 13617 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [0,2,0,0,0,0|1,0,0]=3 13618 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [0,2,0,0,0,0|1,0,0]=3 13619 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [0,2,0,0,0,0|1,0,0]=3 13620 B10R0.71 C=CCSCCOCCOC 62a_100000210623_100000695917 [0,2,0,0,0,0|2,0,0]=4 13621 B10R0.71 C=CCSCCOCCOC 62a_100000695917_100000210623 [0,2,0,0,0,0|2,0,0]=4 13622 B10R0.71 C=COCCCCOCC=O 34a_100000031558_200009817547 [0,2,0,0,0,0|0,0,2]=4 13623 B10R0.71 C=COCCCCOCC=O 7a_100000031558_200015260668 [0,2,0,0,0,0|0,0,2]=4 13624 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [0,2,0,0,0,0|1,0,0]=3 13625 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [0,2,0,0,0,0|1,0,0]=3 13626 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [0,2,0,0,0,0|2,0,0]=4 13627 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [0,2,0,0,0,0|2,0,0]=4 13628 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [0,2,0,0,0,0|2,0,0]=4 13629 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [0,2,0,0,0,0|2,0,0]=4 13630 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [0,2,0,0,0,0|2,0,0]=4 13631 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [0,2,0,0,0,0|1,0,0]=3 13632 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [0,2,0,0,0,0|1,0,0]=3 13633 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [0,2,0,0,0,0|2,0,0]=4 13634 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [0,2,0,0,0,0|2,0,0]=4 13635 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [0,2,0,0,0,0|2,0,0]=4 13636 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [0,2,0,0,0,0|2,0,0]=4 13637 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [0,2,0,0,0,0|2,0,0]=4 13638 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [0,2,0,0,0,0|2,0,0]=4 13639 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [0,2,0,0,0,0|2,0,0]=4 13640 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [0,2,0,0,0,0|2,0,0]=4 13641 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,2,0,0,0,0|1,0,0]=3 13642 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [0,2,0,0,0,0|2,0,0]=4 13643 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [0,2,0,0,0,0|2,0,0]=4 13644 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [0,2,0,0,0,0|2,0,0]=4 13645 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [0,2,0,0,0,0|2,0,0]=4 13646 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [0,2,0,0,0,0|2,0,0]=4 13647 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [0,2,0,0,0,0|2,0,0]=4 13648 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [0,2,0,0,0,0|2,0,0]=4 13649 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [0,2,0,0,0,0|2,0,0]=4 13650 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,2,0,0,0,0|1,0,0]=3 13651 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,2,0,0,0,0|1,0,0]=3 13652 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,2,0,0,0,0|1,0,0]=3 13653 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [0,2,0,0,0,0|2,0,0]=4 13654 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [0,2,0,0,0,0|2,0,0]=4 13655 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [0,2,0,0,0,0|2,0,0]=4 13656 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [0,2,0,0,0,0|2,0,0]=4 13657 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [0,2,0,0,0,0|2,0,0]=4 13658 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [0,2,0,0,0,0|2,0,0]=4 13659 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [0,2,0,0,0,0|2,0,0]=4 13660 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,2,0,0,0,0|2,0,0]=4 13661 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [0,2,0,0,0,0|2,0,0]=4 13662 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [0,2,0,0,0,0|2,0,0]=4 13663 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [0,2,0,0,0,0|2,0,0]=4 13664 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [0,2,0,0,0,0|2,0,0]=4 13665 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [0,2,0,0,0,0|2,0,0]=4 13666 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [0,2,0,0,0,0|2,0,0]=4 13667 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [0,2,0,0,0,0|2,0,0]=4 13668 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [0,2,0,0,0,0|2,0,0]=4 13669 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [0,2,0,0,0,0|2,0,0]=4 13670 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [0,2,0,0,0,0|2,0,0]=4 13671 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [0,2,0,0,0,0|2,0,0]=4 13672 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [0,2,0,0,0,0|2,0,0]=4 13673 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [0,2,0,0,0,0|2,0,0]=4 13674 B10R0.71 C=COCCSCCCC=O 62a_100000039644_200011292268 [0,2,0,0,0,0|0,0,2]=4 13675 B10R0.71 C=COCCSCCCC=O 62a_200011292268_100000039644 [0,2,0,0,0,0|0,0,2]=4 13676 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,2,0,0,0,0|1,0,0]=3 13677 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,2,0,0,0,0|1,0,0]=3 13678 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [0,2,0,0,0,0|2,0,0]=4 13679 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [0,2,0,0,0,0|2,0,0]=4 13680 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [0,2,0,0,0,0|2,0,0]=4 13681 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [0,2,0,0,0,0|2,0,0]=4 13682 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [0,2,0,0,0,0|2,0,0]=4 13683 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [0,2,0,0,0,0|2,0,0]=4 13684 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [0,2,0,0,0,0|2,0,0]=4 13685 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [0,2,0,0,0,0|2,0,0]=4 13686 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [0,2,0,0,0,0|2,0,0]=4 13687 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [0,2,0,0,0,0|2,0,0]=4 13688 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [0,2,0,0,0,0|1,0,1]=4 13689 B10R0.71 CC#CCNCCCCC=O 2230a_100000685387_100000139335 [0,2,0,0,0,0|0,0,1]=3 13690 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [0,2,0,0,0,0|1,0,1]=4 13691 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [0,2,0,0,0,0|1,0,1]=4 13692 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [0,2,0,0,0,0|1,0,1]=4 13693 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [0,2,0,0,0,0|1,0,1]=4 13694 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [0,2,0,0,0,0|1,0,1]=4 13695 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [0,2,0,0,0,0|1,0,1]=4 13696 B10R0.71 CC#CCSCCCCC=O 62a_100000139335_100000748600 [0,2,0,0,0,0|0,0,1]=3 13697 B10R0.71 CC#CCSCCCCC=O 62a_100000748600_100000139335 [0,2,0,0,0,0|0,0,1]=3 13698 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [0,2,0,0,0,0|1,0,1]=4 13699 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [0,2,0,0,0,0|1,0,1]=4 13700 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [0,2,0,0,0,0|0,0,1]=3 13701 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [0,2,0,0,0,0|0,0,1]=3 13702 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,2,0,0,0,0|1,0,1]=4 13703 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,2,0,0,0,0|1,0,1]=4 13704 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,2,0,0,0,0|1,0,1]=4 13705 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,2,0,0,0,0|1,0,1]=4 13706 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,2,0,0,0,0|1,0,1]=4 13707 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,2,0,0,0,0|1,0,1]=4 13708 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,2,0,0,0,0|1,0,1]=4 13709 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,2,0,0,0,0|1,0,1]=4 13710 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,2,0,0,0,0|1,0,1]=4 13711 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,2,0,0,0,0|1,0,1]=4 13712 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,2,0,0,0,0|1,0,1]=4 13713 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,2,0,0,0,0|1,0,1]=4 13714 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,2,0,0,0,0|1,0,1]=4 13715 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,2,0,0,0,0|1,0,1]=4 13716 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,2,0,0,0,0|1,0,1]=4 13717 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,2,0,0,0,0|1,0,1]=4 13718 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,2,0,0,0,0|1,0,1]=4 13719 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,2,0,0,0,0|1,0,1]=4 13720 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,2,0,0,0,0|1,0,1]=4 13721 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,2,0,0,0,0|1,0,1]=4 13722 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,2,0,0,0,0|1,0,1]=4 13723 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [0,2,0,0,0,0|0,0,1]=3 13724 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [0,2,0,0,0,0|0,0,1]=3 13725 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,2,0,0,0,0|1,0,1]=4 13726 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,2,0,0,0,0|1,0,1]=4 13727 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [0,2,0,0,0,0|1,0,1]=4 13728 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,2,0,0,0,0|1,0,0]=3 13729 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [0,2,0,0,0,0|1,0,1]=4 13730 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,2,0,0,0,0|1,0,1]=4 13731 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [0,2,0,0,0,0|1,0,1]=4 13732 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [0,2,0,0,0,0|1,0,1]=4 13733 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,2,0,0,0,0|1,0,0]=3 13734 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [0,2,0,0,0,0|1,0,1]=4 13735 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [0,2,0,0,0,0|1,0,1]=4 13736 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [0,2,0,0,0,0|1,0,1]=4 13737 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [0,2,0,0,0,0|1,0,1]=4 13738 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [0,2,0,0,0,0|1,0,1]=4 13739 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [0,2,0,0,0,0|1,0,1]=4 13740 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [0,2,0,0,0,0|1,0,1]=4 13741 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [0,2,0,0,0,0|1,0,1]=4 13742 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [0,2,0,0,0,0|1,0,1]=4 13743 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,2,0,0,0,0|1,0,0]=3 13744 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,2,0,0,0,0|1,0,0]=3 13745 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [0,2,0,0,0,0|1,0,1]=4 13746 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [0,2,0,0,0,0|1,0,1]=4 13747 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [0,2,0,0,0,0|1,0,1]=4 13748 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [0,2,0,0,0,0|1,0,1]=4 13749 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [0,2,0,0,0,0|1,0,1]=4 13750 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [0,2,0,0,0,0|1,0,1]=4 13751 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [0,2,0,0,0,0|1,0,1]=4 13752 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [0,2,0,0,0,0|1,0,1]=4 13753 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [0,2,0,0,0,0|1,0,1]=4 13754 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [0,2,0,0,0,0|1,0,1]=4 13755 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [0,2,0,0,0,0|1,0,1]=4 13756 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [0,2,0,0,0,0|1,0,1]=4 13757 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [0,2,0,0,0,0|1,0,1]=4 13758 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [0,2,0,0,0,0|1,0,1]=4 13759 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [0,2,0,0,0,0|1,0,1]=4 13760 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [0,2,0,0,0,0|1,0,1]=4 13761 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [0,2,0,0,0,0|0,0,1]=3 13762 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [0,2,0,0,0,0|0,0,1]=3 13763 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,2,0,0,0,0|1,0,0]=3 13764 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,2,0,0,0,0|1,0,0]=3 13765 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [0,2,0,0,0,0|1,0,1]=4 13766 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [0,2,0,0,0,0|1,0,1]=4 13767 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [0,2,0,0,0,0|1,0,1]=4 13768 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [0,2,0,0,0,0|1,0,1]=4 13769 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [0,2,0,0,0,0|1,0,1]=4 13770 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [0,2,0,0,0,0|1,0,1]=4 13771 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [0,2,0,0,0,0|1,0,1]=4 13772 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [0,2,0,0,0,0|1,0,1]=4 13773 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [0,2,0,0,0,0|1,0,1]=4 13774 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [0,2,0,0,0,0|1,0,1]=4 13775 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [0,2,0,0,0,0|1,0,1]=4 13776 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [0,2,0,0,0,0|1,0,1]=4 13777 B10R0.71 CCC#CCSCCCC=O 62a_100009813939_200011292268 [0,2,0,0,0,0|0,0,1]=3 13778 B10R0.71 CCC#CCSCCCC=O 62a_200011292268_100009813939 [0,2,0,0,0,0|0,0,1]=3 13779 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [0,2,0,0,0,0|0,0,1]=3 13780 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [0,2,0,0,0,0|0,0,1]=3 13781 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [0,2,0,0,0,0|0,0,1]=3 13782 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [0,2,0,0,0,0|0,0,1]=3 13783 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [0,2,0,0,0,0|2,0,0]=4 13784 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [0,2,0,0,0,0|2,0,0]=4 13785 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [0,2,0,0,0,0|2,0,0]=4 13786 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [0,2,0,0,0,0|2,0,0]=4 13787 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [0,2,0,0,0,0|2,0,0]=4 13788 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [0,2,0,0,0,0|2,0,0]=4 13789 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [0,2,0,0,0,0|2,0,0]=4 13790 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [0,2,0,0,0,0|2,0,0]=4 13791 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [0,2,0,0,0,0|0,0,1]=3 13792 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [0,2,0,0,0,0|0,0,1]=3 13793 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,2,0,0,0,0|2,0,0]=4 13794 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,2,0,0,0,0|2,0,0]=4 13795 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,2,0,0,0,0|2,0,0]=4 13796 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,2,0,0,0,0|2,0,0]=4 13797 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [0,2,0,0,0,0|2,0,0]=4 13798 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [0,2,0,0,0,0|2,0,0]=4 13799 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [0,2,0,0,0,0|2,0,0]=4 13800 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [0,2,0,0,0,0|2,0,0]=4 13801 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,2,0,0,0,0|0,0,2]=4 13802 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,2,0,0,0,0|0,0,2]=4 13803 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,2,0,0,0,0|0,0,2]=4 13804 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,2,0,0,0,0|0,0,2]=4 13805 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,2,0,0,0,0|2,0,0]=4 13806 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,2,0,0,0,0|2,0,0]=4 13807 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,2,0,0,0,0|2,0,0]=4 13808 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,2,0,0,0,0|2,0,0]=4 13809 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,2,0,0,0,0|1,0,1]=4 13810 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,2,0,0,0,0|1,0,1]=4 13811 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,2,0,0,0,0|1,0,1]=4 13812 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,2,0,0,0,0|1,0,1]=4 13813 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,2,0,0,0,0|1,0,1]=4 13814 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,2,0,0,0,0|1,0,1]=4 13815 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,2,0,0,0,0|1,0,1]=4 13816 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,2,0,0,0,0|0,0,2]=4 13817 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,2,0,0,0,0|0,0,2]=4 13818 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,2,0,0,0,0|0,0,2]=4 13819 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,2,0,0,0,0|0,0,2]=4 13820 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,2,0,0,0,0|0,0,2]=4 13821 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,2,0,0,0,0|0,1,1]=4 13822 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,2,0,0,0,0|0,1,1]=4 13823 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,2,0,0,0,0|1,0,1]=4 13824 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,2,0,0,0,0|1,0,1]=4 13825 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,2,0,0,0,0|1,0,1]=4 13826 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,2,0,0,0,0|1,0,1]=4 13827 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,2,0,0,0,0|0,0,2]=4 13828 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,2,0,0,0,0|0,0,2]=4 13829 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,2,0,0,0,0|0,0,2]=4 13830 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,2,0,0,0,0|0,0,2]=4 13831 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,2,0,0,0,0|0,0,2]=4 13832 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,2,0,0,0,0|0,1,1]=4 13833 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,2,0,0,0,0|0,1,1]=4 13834 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,2,0,0,0,0|0,1,1]=4 13835 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,2,0,0,0,0|0,1,1]=4 13836 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [0,2,0,0,0,0|1,0,1]=4 13837 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,2,0,0,0,0|0,0,0]=2 13838 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [0,2,0,0,0,0|1,0,1]=4 13839 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [0,2,0,0,0,0|1,0,1]=4 13840 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [0,2,0,0,0,0|1,0,1]=4 13841 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,2,0,0,0,0|0,0,2]=4 13842 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,2,0,0,0,0|0,0,2]=4 13843 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,2,0,0,0,0|0,0,2]=4 13844 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,2,0,0,0,0|0,0,2]=4 13845 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [0,2,0,0,0,0|0,1,1]=4 13846 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [0,2,0,0,0,0|1,0,1]=4 13847 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,2,0,0,0,0|0,0,0]=2 13848 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,2,0,0,0,0|0,0,0]=2 13849 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,2,0,0,0,0|1,0,1]=4 13850 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,2,0,0,0,0|1,0,1]=4 13851 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,2,0,0,0,0|1,0,1]=4 13852 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,2,0,0,0,0|1,0,1]=4 13853 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,2,0,0,0,0|1,0,1]=4 13854 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,2,0,0,0,0|1,0,1]=4 13855 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,2,0,0,0,0|1,0,1]=4 13856 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,2,0,0,0,0|0,0,2]=4 13857 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,2,0,0,0,0|0,0,2]=4 13858 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,2,0,0,0,0|0,1,1]=4 13859 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [0,2,0,0,0,0|1,0,1]=4 13860 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [0,2,0,0,0,0|1,0,1]=4 13861 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,2,0,0,0,0|0,0,0]=2 13862 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,2,0,0,0,0|0,0,0]=2 13863 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [0,2,0,0,0,0|1,0,1]=4 13864 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [0,2,0,0,0,0|1,0,1]=4 13865 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [0,2,0,0,0,0|1,0,1]=4 13866 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [0,2,0,0,0,0|1,0,1]=4 13867 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,2,0,0,0,0|0,0,2]=4 13868 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,2,0,0,0,0|0,0,2]=4 13869 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,2,0,0,0,0|0,0,2]=4 13870 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,2,0,0,0,0|0,0,2]=4 13871 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [0,2,0,0,0,0|0,1,1]=4 13872 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [0,2,0,0,0,0|0,1,1]=4 13873 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [0,2,0,0,0,0|1,0,1]=4 13874 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [0,2,0,0,0,0|1,0,1]=4 13875 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [0,2,0,0,0,0|1,0,1]=4 13876 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [0,2,0,0,0,0|1,0,1]=4 13877 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [0,2,0,0,0,0|1,0,1]=4 13878 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [0,2,0,0,0,0|1,0,1]=4 13879 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [0,2,0,0,0,0|1,0,1]=4 13880 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,2,0,0,0,0|0,0,2]=4 13881 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,2,0,0,0,0|0,0,2]=4 13882 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,2,0,0,0,0|0,0,2]=4 13883 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,2,0,0,0,0|0,1,1]=4 13884 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,2,0,0,0,0|0,1,1]=4 13885 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,2,0,0,0,0|1,0,1]=4 13886 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,2,0,0,0,0|1,0,1]=4 13887 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,2,0,0,0,0|1,0,1]=4 13888 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,2,0,0,0,0|1,0,1]=4 13889 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,2,0,0,0,0|1,0,1]=4 13890 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,2,0,0,0,0|1,0,1]=4 13891 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,2,0,0,0,0|1,0,1]=4 13892 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,2,0,0,0,0|1,0,1]=4 13893 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,2,0,0,0,0|1,0,1]=4 13894 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,2,0,0,0,0|1,0,1]=4 13895 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,2,0,0,0,0|1,0,1]=4 13896 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,2,0,0,0,0|0,0,2]=4 13897 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,2,0,0,0,0|0,0,2]=4 13898 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,2,0,0,0,0|0,0,2]=4 13899 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,2,0,0,0,0|0,0,2]=4 13900 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,2,0,0,0,0|0,0,2]=4 13901 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,2,0,0,0,0|0,0,2]=4 13902 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,2,0,0,0,0|0,0,2]=4 13903 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,2,0,0,0,0|0,0,2]=4 13904 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,2,0,0,0,0|0,0,2]=4 13905 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,2,0,0,0,0|0,0,2]=4 13906 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,2,0,0,0,0|0,1,1]=4 13907 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,2,0,0,0,0|0,1,1]=4 13908 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,2,0,0,0,0|0,1,1]=4 13909 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,2,0,0,0,0|0,1,1]=4 13910 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [0,2,0,0,0,0|1,0,1]=4 13911 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [0,2,0,0,0,0|1,0,1]=4 13912 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [0,2,0,0,0,0|1,0,1]=4 13913 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [0,2,0,0,0,0|1,0,1]=4 13914 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [0,2,0,0,0,0|1,0,1]=4 13915 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [0,2,0,0,0,0|1,0,1]=4 13916 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,2,0,0,0,0|0,0,2]=4 13917 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,2,0,0,0,0|0,0,2]=4 13918 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,2,0,0,0,0|0,0,2]=4 13919 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,2,0,0,0,0|0,0,2]=4 13920 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,2,0,0,0,0|0,1,1]=4 13921 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,2,0,0,0,0|0,1,1]=4 13922 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,2,0,0,0,0|1,0,1]=4 13923 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,2,0,0,0,0|1,0,1]=4 13924 B10R0.71 CCCCCCSCSC#N 62a_100000210314_100000211825 [0,2,0,0,0,0|1,0,1]=4 13925 B10R0.71 CCCCCCSCSC#N 62a_100000211825_100000210757 [0,2,0,0,0,0|1,0,1]=4 13926 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [0,2,0,0,0,0|1,0,1]=4 13927 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,2,0,0,0,0|0,0,0]=2 13928 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [0,2,0,0,0,0|1,0,1]=4 13929 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [0,2,0,0,0,0|1,0,1]=4 13930 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,2,0,0,0,0|0,0,2]=4 13931 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,2,0,0,0,0|0,0,2]=4 13932 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,2,0,0,0,0|0,0,2]=4 13933 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,2,0,0,0,0|0,0,2]=4 13934 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,2,0,0,0,0|0,0,2]=4 13935 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [0,2,0,0,0,0|0,1,1]=4 13936 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,2,0,0,0,0|1,0,1]=4 13937 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,2,0,0,0,0|1,0,1]=4 13938 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,2,0,0,0,0|1,0,1]=4 13939 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,2,0,0,0,0|1,0,1]=4 13940 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,2,0,0,0,0|1,0,1]=4 13941 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [0,2,0,0,0,0|1,0,1]=4 13942 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [0,2,0,0,0,0|1,0,1]=4 13943 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [0,2,0,0,0,0|1,0,1]=4 13944 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,2,0,0,0,0|0,0,0]=2 13945 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,2,0,0,0,0|1,0,1]=4 13946 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,2,0,0,0,0|1,0,1]=4 13947 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,2,0,0,0,0|1,0,1]=4 13948 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,2,0,0,0,0|1,0,1]=4 13949 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,2,0,0,0,0|1,0,1]=4 13950 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,2,0,0,0,0|1,0,1]=4 13951 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,2,0,0,0,0|1,0,1]=4 13952 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,2,0,0,0,0|1,0,1]=4 13953 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,2,0,0,0,0|1,0,1]=4 13954 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,2,0,0,0,0|1,0,1]=4 13955 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,2,0,0,0,0|1,0,1]=4 13956 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,2,0,0,0,0|0,0,2]=4 13957 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,2,0,0,0,0|0,0,2]=4 13958 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [0,2,0,0,0,0|1,0,1]=4 13959 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,2,0,0,0,0|0,0,2]=4 13960 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,2,0,0,0,0|0,0,2]=4 13961 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,2,0,0,0,0|0,0,2]=4 13962 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,2,0,0,0,0|0,1,1]=4 13963 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,2,0,0,0,0|0,1,1]=4 13964 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,2,0,0,0,0|1,0,1]=4 13965 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,2,0,0,0,0|1,0,1]=4 13966 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,2,0,0,0,0|1,0,1]=4 13967 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,2,0,0,0,0|1,0,1]=4 13968 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,2,0,0,0,0|1,0,1]=4 13969 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,2,0,0,0,0|1,0,1]=4 13970 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,2,0,0,0,0|1,0,1]=4 13971 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,2,0,0,0,0|1,0,1]=4 13972 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,2,0,0,0,0|1,0,1]=4 13973 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,2,0,0,0,0|1,0,1]=4 13974 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,2,0,0,0,0|1,0,1]=4 13975 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,2,0,0,0,0|1,0,1]=4 13976 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [0,2,0,0,0,0|1,0,1]=4 13977 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [0,2,0,0,0,0|1,0,1]=4 13978 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,2,0,0,0,0|0,0,0]=2 13979 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,2,0,0,0,0|0,0,0]=2 13980 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [0,2,0,0,0,0|1,0,1]=4 13981 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [0,2,0,0,0,0|1,0,1]=4 13982 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [0,2,0,0,0,0|1,0,1]=4 13983 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,2,0,0,0,0|0,0,2]=4 13984 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,2,0,0,0,0|0,0,2]=4 13985 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,2,0,0,0,0|0,0,2]=4 13986 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,2,0,0,0,0|0,0,2]=4 13987 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,2,0,0,0,0|1,0,1]=4 13988 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,2,0,0,0,0|1,0,1]=4 13989 B10R0.71 CCCCCSCCSC#N 62a_100000034367_100000210326 [0,2,0,0,0,0|1,0,1]=4 13990 B10R0.71 CCCCCSCCSC#N 62a_100000210326_100000034367 [0,2,0,0,0,0|1,0,1]=4 13991 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [0,2,0,0,0,0|1,0,1]=4 13992 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [0,2,0,0,0,0|1,0,1]=4 13993 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [0,2,0,0,0,0|1,0,1]=4 13994 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [0,2,0,0,0,0|1,0,1]=4 13995 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,2,0,0,0,0|0,0,0]=2 13996 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,2,0,0,0,0|0,0,0]=2 13997 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [0,2,0,0,0,0|1,0,1]=4 13998 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [0,2,0,0,0,0|1,0,1]=4 13999 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,2,0,0,0,0|0,0,2]=4 14000 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,2,0,0,0,0|0,0,2]=4 14001 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,2,0,0,0,0|0,0,2]=4 14002 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,2,0,0,0,0|0,0,2]=4 14003 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,2,0,0,0,0|0,0,2]=4 14004 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,2,0,0,0,0|0,0,2]=4 14005 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,2,0,0,0,0|0,0,2]=4 14006 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,2,0,0,0,0|0,0,2]=4 14007 B10R0.71 CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210211 [0,2,0,0,0,0|2,0,0]=4 14008 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,2,0,0,0,0|1,0,1]=4 14009 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,2,0,0,0,0|1,0,1]=4 14010 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,2,0,0,0,0|1,0,1]=4 14011 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,2,0,0,0,0|1,0,1]=4 14012 B10R0.71 CCCCNCCOCC#N 2230a_100000102301_200000047693 [0,2,0,0,0,0|1,0,1]=4 14013 B10R0.71 CCCCNCCOCC#N 7a_106832991798_200000047693 [0,2,0,0,0,0|1,0,1]=4 14014 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,2,0,0,0,0|1,0,1]=4 14015 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,2,0,0,0,0|1,0,1]=4 14016 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,2,0,0,0,0|1,0,1]=4 14017 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,2,0,0,0,0|1,0,1]=4 14018 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,2,0,0,0,0|0,0,2]=4 14019 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,2,0,0,0,0|0,0,2]=4 14020 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,2,0,0,0,0|0,0,2]=4 14021 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,2,0,0,0,0|0,0,2]=4 14022 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [0,2,0,0,0,0|1,0,1]=4 14023 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,2,0,0,0,0|0,0,2]=4 14024 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [0,2,0,0,0,0|1,0,1]=4 14025 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,2,0,0,0,0|2,0,0]=4 14026 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [0,2,0,0,0,0|1,0,1]=4 14027 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,2,0,0,0,0|0,0,0]=2 14028 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,2,0,0,0,0|1,0,1]=4 14029 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,2,0,0,0,0|1,0,1]=4 14030 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,2,0,0,0,0|1,0,1]=4 14031 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,2,0,0,0,0|1,0,1]=4 14032 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,2,0,0,0,0|1,0,1]=4 14033 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,2,0,0,0,0|1,0,1]=4 14034 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,2,0,0,0,0|1,0,1]=4 14035 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,2,0,0,0,0|1,0,1]=4 14036 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,2,0,0,0,0|1,0,1]=4 14037 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,2,0,0,0,0|0,0,2]=4 14038 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,2,0,0,0,0|0,0,2]=4 14039 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,2,0,0,0,0|0,0,2]=4 14040 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,2,0,0,0,0|0,0,2]=4 14041 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,2,0,0,0,0|0,0,2]=4 14042 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,2,0,0,0,0|0,0,2]=4 14043 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,2,0,0,0,0|0,0,2]=4 14044 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,2,0,0,0,0|0,0,2]=4 14045 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,2,0,0,0,0|0,0,2]=4 14046 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,2,0,0,0,0|0,1,1]=4 14047 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,2,0,0,0,0|0,1,1]=4 14048 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,2,0,0,0,0|1,0,1]=4 14049 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,2,0,0,0,0|1,0,1]=4 14050 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [0,2,0,0,0,0|1,0,1]=4 14051 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,2,0,0,0,0|1,0,1]=4 14052 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,2,0,0,0,0|1,0,1]=4 14053 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,2,0,0,0,0|1,0,1]=4 14054 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,2,0,0,0,0|1,0,1]=4 14055 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,2,0,0,0,0|1,0,1]=4 14056 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,2,0,0,0,0|1,0,1]=4 14057 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [0,2,0,0,0,0|1,0,1]=4 14058 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [0,2,0,0,0,0|1,0,1]=4 14059 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,2,0,0,0,0|1,0,1]=4 14060 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,2,0,0,0,0|1,0,1]=4 14061 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,2,0,0,0,0|1,0,1]=4 14062 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,2,0,0,0,0|0,0,2]=4 14063 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,2,0,0,0,0|0,0,2]=4 14064 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [0,2,0,0,0,0|1,0,1]=4 14065 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [0,2,0,0,0,0|1,0,1]=4 14066 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,2,0,0,0,0|0,0,0]=2 14067 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,2,0,0,0,0|0,0,0]=2 14068 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,2,0,0,0,0|1,0,1]=4 14069 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,2,0,0,0,0|1,0,1]=4 14070 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,2,0,0,0,0|1,0,1]=4 14071 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,2,0,0,0,0|1,0,1]=4 14072 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,2,0,0,0,0|1,0,1]=4 14073 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,2,0,0,0,0|1,0,1]=4 14074 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,2,0,0,0,0|1,0,1]=4 14075 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,2,0,0,0,0|1,0,1]=4 14076 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,2,0,0,0,0|1,0,1]=4 14077 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,2,0,0,0,0|1,0,1]=4 14078 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,2,0,0,0,0|1,0,1]=4 14079 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,2,0,0,0,0|1,0,1]=4 14080 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,2,0,0,0,0|1,0,1]=4 14081 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,2,0,0,0,0|1,0,1]=4 14082 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,2,0,0,0,0|1,0,1]=4 14083 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,2,0,0,0,0|1,0,1]=4 14084 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,2,0,0,0,0|1,0,1]=4 14085 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,2,0,0,0,0|1,0,1]=4 14086 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,2,0,0,0,0|1,0,1]=4 14087 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,2,0,0,0,0|1,0,1]=4 14088 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,2,0,0,0,0|0,0,2]=4 14089 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,2,0,0,0,0|0,0,2]=4 14090 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,2,0,0,0,0|0,0,2]=4 14091 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,2,0,0,0,0|0,0,2]=4 14092 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [0,2,0,0,0,0|2,0,0]=4 14093 B10R0.71 CCCCOCCSCC#N 62a_100000743108_100011215382 [0,2,0,0,0,0|1,0,1]=4 14094 B10R0.71 CCCCOCCSCC#N 62a_100011215382_100000743108 [0,2,0,0,0,0|1,0,1]=4 14095 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,2,0,0,0,0|0,0,0]=2 14096 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,2,0,0,0,0|0,0,0]=2 14097 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,2,0,0,0,0|1,0,1]=4 14098 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,2,0,0,0,0|1,0,1]=4 14099 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,2,0,0,0,0|1,0,1]=4 14100 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,2,0,0,0,0|1,0,1]=4 14101 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [0,2,0,0,0,0|1,0,1]=4 14102 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [0,2,0,0,0,0|1,0,1]=4 14103 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,2,0,0,0,0|0,0,2]=4 14104 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,2,0,0,0,0|0,0,2]=4 14105 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [0,2,0,0,0,0|2,0,0]=4 14106 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [0,2,0,0,0,0|2,0,0]=4 14107 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [0,2,0,0,0,0|2,0,0]=4 14108 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [0,2,0,0,0,0|2,0,0]=4 14109 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [0,2,0,0,0,0|1,0,1]=4 14110 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [0,2,0,0,0,0|1,0,1]=4 14111 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [0,2,0,0,0,0|2,0,0]=4 14112 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [0,2,0,0,0,0|2,0,0]=4 14113 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [0,2,0,0,0,0|1,0,1]=4 14114 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [0,2,0,0,0,0|1,0,1]=4 14115 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [0,2,0,0,0,0|1,0,1]=4 14116 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [0,2,0,0,0,0|1,0,1]=4 14117 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [0,2,0,0,0,0|1,0,1]=4 14118 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,2,0,0,0,0|2,0,0]=4 14119 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,2,0,0,0,0|2,0,0]=4 14120 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [0,2,0,0,0,0|2,0,0]=4 14121 B10R0.71 CCCCOCSCCC#N 62a_100011215226_100011995733 [0,2,0,0,0,0|1,0,1]=4 14122 B10R0.71 CCCCOCSCCC#N 62a_100011995733_100011215226 [0,2,0,0,0,0|1,0,1]=4 14123 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [0,2,0,0,0,0|1,0,1]=4 14124 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [0,2,0,0,0,0|1,0,1]=4 14125 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [0,2,0,0,0,0|1,0,1]=4 14126 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [0,2,0,0,0,0|1,0,1]=4 14127 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,2,0,0,0,0|0,0,2]=4 14128 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,2,0,0,0,0|0,0,2]=4 14129 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [0,2,0,0,0,0|2,0,0]=4 14130 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [0,2,0,0,0,0|2,0,0]=4 14131 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [0,2,0,0,0,0|2,0,0]=4 14132 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [0,2,0,0,0,0|2,0,0]=4 14133 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [0,2,0,0,0,0|1,0,1]=4 14134 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [0,2,0,0,0,0|1,0,1]=4 14135 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,2,0,0,0,0|0,0,0]=2 14136 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,2,0,0,0,0|0,0,0]=2 14137 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [0,2,0,0,0,0|1,0,1]=4 14138 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [0,2,0,0,0,0|1,0,1]=4 14139 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,2,0,0,0,0|0,0,2]=4 14140 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,2,0,0,0,0|0,0,2]=4 14141 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,2,0,0,0,0|0,0,2]=4 14142 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,2,0,0,0,0|0,0,2]=4 14143 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,2,0,0,0,0|1,0,1]=4 14144 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,2,0,0,0,0|1,0,1]=4 14145 B10R0.71 CCCCSCCNCC#N 2230a_100025743550_100011215382 [0,2,0,0,0,0|1,0,1]=4 14146 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,2,0,0,0,0|0,0,0]=2 14147 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [0,2,0,0,0,0|1,0,1]=4 14148 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [0,2,0,0,0,0|1,0,1]=4 14149 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,2,0,0,0,0|0,0,2]=4 14150 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [0,2,0,0,0,0|2,0,0]=4 14151 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [0,2,0,0,0,0|2,0,0]=4 14152 B10R0.71 CCCCSCCOCC#N 62a_100000210211_200000047693 [0,2,0,0,0,0|1,0,1]=4 14153 B10R0.71 CCCCSCCOCC#N 62a_200000047693_100000210210 [0,2,0,0,0,0|1,0,1]=4 14154 B10R0.71 CCCCSCCOCC#N 7a_200000230436_100011215382 [0,2,0,0,0,0|1,0,1]=4 14155 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,2,0,0,0,0|0,0,0]=2 14156 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,2,0,0,0,0|0,0,0]=2 14157 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,2,0,0,0,0|1,0,1]=4 14158 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,2,0,0,0,0|1,0,1]=4 14159 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,2,0,0,0,0|1,0,1]=4 14160 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,2,0,0,0,0|1,0,1]=4 14161 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,2,0,0,0,0|1,0,1]=4 14162 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,2,0,0,0,0|1,0,1]=4 14163 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,2,0,0,0,0|0,0,2]=4 14164 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,2,0,0,0,0|0,0,2]=4 14165 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,2,0,0,0,0|0,0,2]=4 14166 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,2,0,0,0,0|0,0,2]=4 14167 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [0,2,0,0,0,0|2,0,0]=4 14168 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,2,0,0,0,0|2,0,0]=4 14169 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,2,0,0,0,0|2,0,0]=4 14170 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,2,0,0,0,0|0,0,2]=4 14171 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,2,0,0,0,0|0,0,2]=4 14172 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,2,0,0,0,0|0,0,2]=4 14173 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,2,0,0,0,0|0,0,2]=4 14174 B10R0.71 CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210303 [0,2,0,0,0,0|2,0,0]=4 14175 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,2,0,0,0,0|1,0,1]=4 14176 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,2,0,0,0,0|1,0,1]=4 14177 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,2,0,0,0,0|2,0,0]=4 14178 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,2,0,0,0,0|2,0,0]=4 14179 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,2,0,0,0,0|1,0,1]=4 14180 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,2,0,0,0,0|1,0,1]=4 14181 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,2,0,0,0,0|1,0,1]=4 14182 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,2,0,0,0,0|1,0,1]=4 14183 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,2,0,0,0,0|1,0,1]=4 14184 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,2,0,0,0,0|1,0,1]=4 14185 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,2,0,0,0,0|1,0,1]=4 14186 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,2,0,0,0,0|1,0,1]=4 14187 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,2,0,0,0,0|0,0,2]=4 14188 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,2,0,0,0,0|1,0,1]=4 14189 B10R0.71 CCCOCCCNCC#N 2230a_100011217757_100011215382 [0,2,0,0,0,0|1,0,1]=4 14190 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [0,2,0,0,0,0|0,0,0]=2 14191 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [0,2,0,0,0,0|0,0,0]=2 14192 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,2,0,0,0,0|1,0,1]=4 14193 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,2,0,0,0,0|1,0,1]=4 14194 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,2,0,0,0,0|0,0,2]=4 14195 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,2,0,0,0,0|0,0,2]=4 14196 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,2,0,0,0,0|2,0,0]=4 14197 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [0,2,0,0,0,0|2,0,0]=4 14198 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [0,2,0,0,0,0|2,0,0]=4 14199 B10R0.71 CCCOCCNCCC#N 2230a_100161115042_100011215226 [0,2,0,0,0,0|1,0,1]=4 14200 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [0,2,0,0,0,0|1,0,1]=4 14201 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [0,2,0,0,0,0|1,0,1]=4 14202 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [0,2,0,0,0,0|1,0,1]=4 14203 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [0,2,0,0,0,0|1,0,1]=4 14204 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,2,0,0,0,0|0,0,2]=4 14205 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,2,0,0,0,0|0,0,2]=4 14206 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,2,0,0,0,0|2,0,0]=4 14207 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,2,0,0,0,0|2,0,0]=4 14208 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,2,0,0,0,0|2,0,0]=4 14209 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [0,2,0,0,0,0|2,0,0]=4 14210 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [0,2,0,0,0,0|2,0,0]=4 14211 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [0,2,0,0,0,0|2,0,0]=4 14212 B10R0.71 CCCOCCOCCC#N 7a_100000752267_100000184422 [0,2,0,0,0,0|1,0,1]=4 14213 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,2,0,0,0,0|1,0,1]=4 14214 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,2,0,0,0,0|1,0,1]=4 14215 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,2,0,0,0,0|1,0,1]=4 14216 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,2,0,0,0,0|1,0,1]=4 14217 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,2,0,0,0,0|1,0,1]=4 14218 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,2,0,0,0,0|1,0,1]=4 14219 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,2,0,0,0,0|0,0,2]=4 14220 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,2,0,0,0,0|0,0,2]=4 14221 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [0,2,0,0,0,0|2,0,0]=4 14222 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [0,2,0,0,0,0|2,0,0]=4 14223 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [0,2,0,0,0,0|2,0,0]=4 14224 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [0,2,0,0,0,0|2,0,0]=4 14225 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [0,2,0,0,0,0|2,0,0]=4 14226 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,2,0,0,0,0|2,0,0]=4 14227 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,2,0,0,0,0|2,0,0]=4 14228 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,2,0,0,0,0|2,0,0]=4 14229 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,2,0,0,0,0|2,0,0]=4 14230 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,2,0,0,0,0|2,0,0]=4 14231 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,2,0,0,0,0|2,0,0]=4 14232 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,2,0,0,0,0|2,0,0]=4 14233 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [0,2,0,0,0,0|2,0,0]=4 14234 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [0,2,0,0,0,0|2,0,0]=4 14235 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [0,2,0,0,0,0|2,0,0]=4 14236 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [0,2,0,0,0,0|2,0,0]=4 14237 B10R0.71 CCCOCCSCCC#N 62a_100011215226_100011215938 [0,2,0,0,0,0|1,0,1]=4 14238 B10R0.71 CCCOCCSCCC#N 62a_100011215938_100011215226 [0,2,0,0,0,0|1,0,1]=4 14239 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [0,2,0,0,0,0|1,0,1]=4 14240 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [0,2,0,0,0,0|1,0,1]=4 14241 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,2,0,0,0,0|0,0,2]=4 14242 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,2,0,0,0,0|0,0,2]=4 14243 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,2,0,0,0,0|2,0,0]=4 14244 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,2,0,0,0,0|2,0,0]=4 14245 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [0,2,0,0,0,0|2,0,0]=4 14246 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [0,2,0,0,0,0|2,0,0]=4 14247 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [0,2,0,0,0,0|1,0,1]=4 14248 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [0,2,0,0,0,0|1,0,1]=4 14249 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,2,0,0,0,0|0,0,0]=2 14250 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,2,0,0,0,0|0,0,0]=2 14251 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [0,2,0,0,0,0|1,0,1]=4 14252 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [0,2,0,0,0,0|1,0,1]=4 14253 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,2,0,0,0,0|0,0,2]=4 14254 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,2,0,0,0,0|0,0,2]=4 14255 B10R0.71 CCCSCCNCCC#N 2230a_100020603323_100011215226 [0,2,0,0,0,0|1,0,1]=4 14256 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [0,2,0,0,0,0|1,0,1]=4 14257 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,2,0,0,0,0|0,0,2]=4 14258 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,2,0,0,0,0|2,0,0]=4 14259 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [0,2,0,0,0,0|2,0,0]=4 14260 B10R0.71 CCCSCCOCCC#N 7a_200000230433_100000184422 [0,2,0,0,0,0|1,0,1]=4 14261 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [0,2,0,0,0,0|1,0,1]=4 14262 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [0,2,0,0,0,0|1,0,1]=4 14263 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,2,0,0,0,0|0,0,2]=4 14264 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,2,0,0,0,0|0,0,2]=4 14265 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,2,0,0,0,0|2,0,0]=4 14266 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,2,0,0,0,0|2,0,0]=4 14267 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,2,0,0,0,0|2,0,0]=4 14268 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,2,0,0,0,0|2,0,0]=4 14269 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [0,2,0,0,0,0|2,0,0]=4 14270 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [0,2,0,0,0,0|2,0,0]=4 14271 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [0,2,0,0,0,0|1,0,1]=4 14272 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,2,0,0,0,0|0,0,2]=4 14273 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,2,0,0,0,0|0,0,2]=4 14274 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,2,0,0,0,0|0,0,2]=4 14275 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,2,0,0,0,0|0,0,2]=4 14276 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,2,0,0,0,0|0,0,2]=4 14277 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,2,0,0,0,0|0,0,2]=4 14278 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,2,0,0,0,0|2,0,0]=4 14279 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,2,0,0,0,0|2,0,0]=4 14280 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,2,0,0,0,0|2,0,0]=4 14281 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,2,0,0,0,0|1,0,1]=4 14282 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,2,0,0,0,0|1,0,1]=4 14283 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,2,0,0,0,0|1,0,1]=4 14284 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,2,0,0,0,0|0,0,2]=4 14285 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,2,0,0,0,0|0,0,2]=4 14286 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,2,0,0,0,0|0,0,2]=4 14287 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,2,0,0,0,0|0,0,2]=4 14288 B10R0.71 CCOCCCNCCC#N 2230a_100000210961_100011215226 [0,2,0,0,0,0|1,0,1]=4 14289 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [0,2,0,0,0,0|1,0,1]=4 14290 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [0,2,0,0,0,0|1,0,1]=4 14291 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [0,2,0,0,0,0|1,0,1]=4 14292 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [0,2,0,0,0,0|1,0,1]=4 14293 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,2,0,0,0,0|0,0,2]=4 14294 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,2,0,0,0,0|0,0,2]=4 14295 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,2,0,0,0,0|2,0,0]=4 14296 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,2,0,0,0,0|2,0,0]=4 14297 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,2,0,0,0,0|2,0,0]=4 14298 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [0,2,0,0,0,0|2,0,0]=4 14299 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [0,2,0,0,0,0|2,0,0]=4 14300 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [0,2,0,0,0,0|2,0,0]=4 14301 B10R0.71 CCOCCCOCCC#N 7a_100000757476_100000184422 [0,2,0,0,0,0|1,0,1]=4 14302 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,2,0,0,0,0|1,0,1]=4 14303 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,2,0,0,0,0|1,0,1]=4 14304 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,2,0,0,0,0|1,0,1]=4 14305 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,2,0,0,0,0|1,0,1]=4 14306 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,2,0,0,0,0|1,0,1]=4 14307 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,2,0,0,0,0|1,0,1]=4 14308 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,2,0,0,0,0|1,0,1]=4 14309 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,2,0,0,0,0|0,0,2]=4 14310 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,2,0,0,0,0|0,0,2]=4 14311 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,2,0,0,0,0|2,0,0]=4 14312 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,2,0,0,0,0|2,0,0]=4 14313 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,2,0,0,0,0|2,0,0]=4 14314 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,2,0,0,0,0|2,0,0]=4 14315 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,2,0,0,0,0|2,0,0]=4 14316 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [0,2,0,0,0,0|2,0,0]=4 14317 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [0,2,0,0,0,0|2,0,0]=4 14318 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [0,2,0,0,0,0|2,0,0]=4 14319 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [0,2,0,0,0,0|2,0,0]=4 14320 B10R0.71 CCOCCCSCCC#N 62a_100011215226_100012232248 [0,2,0,0,0,0|1,0,1]=4 14321 B10R0.71 CCOCCCSCCC#N 62a_100012232248_100011215226 [0,2,0,0,0,0|1,0,1]=4 14322 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [0,2,0,0,0,0|1,0,1]=4 14323 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [0,2,0,0,0,0|1,0,1]=4 14324 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,2,0,0,0,0|0,0,2]=4 14325 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,2,0,0,0,0|0,0,2]=4 14326 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,2,0,0,0,0|2,0,0]=4 14327 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,2,0,0,0,0|2,0,0]=4 14328 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [0,2,0,0,0,0|2,0,0]=4 14329 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [0,2,0,0,0,0|2,0,0]=4 14330 B10R0.71 CCOCCNCCCC#N 2230a_102516460346_100000687738 [0,2,0,0,0,0|1,0,1]=4 14331 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,2,0,0,0,0|0,0,0]=2 14332 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [0,2,0,0,0,0|1,0,1]=4 14333 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [0,2,0,0,0,0|1,0,1]=4 14334 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,2,0,0,0,0|0,0,2]=4 14335 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,2,0,0,0,0|0,0,2]=4 14336 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,2,0,0,0,0|0,0,2]=4 14337 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,2,0,0,0,0|0,0,2]=4 14338 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,2,0,0,0,0|2,0,0]=4 14339 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,2,0,0,0,0|2,0,0]=4 14340 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,2,0,0,0,0|2,0,0]=4 14341 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [0,2,0,0,0,0|2,0,0]=4 14342 B10R0.71 CCOCCOCCCC#N 7a_100000210136_100000687738 [0,2,0,0,0,0|1,0,1]=4 14343 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,2,0,0,0,0|0,0,0]=2 14344 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [0,2,0,0,0,0|1,0,1]=4 14345 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [0,2,0,0,0,0|1,0,1]=4 14346 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [0,2,0,0,0,0|1,0,1]=4 14347 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [0,2,0,0,0,0|1,0,1]=4 14348 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [0,2,0,0,0,0|1,0,1]=4 14349 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [0,2,0,0,0,0|1,0,1]=4 14350 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [0,2,0,0,0,0|1,0,1]=4 14351 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [0,2,0,0,0,0|1,0,1]=4 14352 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [0,2,0,0,0,0|1,0,1]=4 14353 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,2,0,0,0,0|0,0,2]=4 14354 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,2,0,0,0,0|0,0,2]=4 14355 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [0,2,0,0,0,0|2,0,0]=4 14356 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,2,0,0,0,0|2,0,0]=4 14357 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,2,0,0,0,0|2,0,0]=4 14358 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,2,0,0,0,0|2,0,0]=4 14359 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [0,2,0,0,0,0|2,0,0]=4 14360 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [0,2,0,0,0,0|2,0,0]=4 14361 B10R0.71 CCOCCSCCCC#N 62a_100000210147_100000687738 [0,2,0,0,0,0|1,0,1]=4 14362 B10R0.71 CCOCCSCCCC#N 62a_100000687738_100011215890 [0,2,0,0,0,0|1,0,1]=4 14363 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,2,0,0,0,0|0,0,0]=2 14364 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,2,0,0,0,0|0,0,0]=2 14365 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [0,2,0,0,0,0|1,0,1]=4 14366 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [0,2,0,0,0,0|1,0,1]=4 14367 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,2,0,0,0,0|0,0,2]=4 14368 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,2,0,0,0,0|0,0,2]=4 14369 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,2,0,0,0,0|2,0,0]=4 14370 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,2,0,0,0,0|2,0,0]=4 14371 B10R0.71 CCOCSCCCCC#N 62a_100000739092_100000211819 [0,2,0,0,0,0|1,0,1]=4 14372 B10R0.71 CCOCSCCCCC#N 62a_100011219923_100000739092 [0,2,0,0,0,0|1,0,1]=4 14373 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,2,0,0,0,0|0,0,0]=2 14374 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,2,0,0,0,0|0,0,0]=2 14375 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [0,2,0,0,0,0|1,0,1]=4 14376 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [0,2,0,0,0,0|1,0,1]=4 14377 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,2,0,0,0,0|0,0,2]=4 14378 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,2,0,0,0,0|0,0,2]=4 14379 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [0,2,0,0,0,0|2,0,0]=4 14380 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [0,2,0,0,0,0|2,0,0]=4 14381 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [0,2,0,0,0,0|1,0,1]=4 14382 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [0,2,0,0,0,0|1,0,1]=4 14383 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,2,0,0,0,0|0,0,2]=4 14384 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,2,0,0,0,0|0,0,2]=4 14385 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,2,0,0,0,0|0,0,2]=4 14386 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,2,0,0,0,0|0,0,2]=4 14387 B10R0.71 CCSCCCOCCC#N 7a_100011216438_100000184422 [0,2,0,0,0,0|1,0,1]=4 14388 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [0,2,0,0,0,0|1,0,1]=4 14389 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [0,2,0,0,0,0|1,0,1]=4 14390 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,2,0,0,0,0|0,0,2]=4 14391 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,2,0,0,0,0|0,0,2]=4 14392 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,2,0,0,0,0|2,0,0]=4 14393 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,2,0,0,0,0|2,0,0]=4 14394 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,2,0,0,0,0|2,0,0]=4 14395 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,2,0,0,0,0|2,0,0]=4 14396 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [0,2,0,0,0,0|2,0,0]=4 14397 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [0,2,0,0,0,0|2,0,0]=4 14398 B10R0.71 CCSCCNCCCC#N 2230a_100000106463_100000687738 [0,2,0,0,0,0|1,0,1]=4 14399 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,2,0,0,0,0|0,0,0]=2 14400 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [0,2,0,0,0,0|1,0,1]=4 14401 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [0,2,0,0,0,0|0,0,2]=4 14402 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [0,2,0,0,0,0|0,0,2]=4 14403 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [0,2,0,0,0,0|0,0,2]=4 14404 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [0,2,0,0,0,0|2,0,0]=4 14405 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [0,2,0,0,0,0|2,0,0]=4 14406 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [0,2,0,0,0,0|2,0,0]=4 14407 B10R0.71 CCSCCOCCCC#N 7a_100000212035_100000687738 [0,2,0,0,0,0|1,0,1]=4 14408 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,2,0,0,0,0|0,0,0]=2 14409 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [0,2,0,0,0,0|1,0,1]=4 14410 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [0,2,0,0,0,0|1,0,1]=4 14411 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [0,2,0,0,0,0|1,0,1]=4 14412 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [0,2,0,0,0,0|1,0,1]=4 14413 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [0,2,0,0,0,0|1,0,1]=4 14414 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [0,2,0,0,0,0|1,0,1]=4 14415 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [0,2,0,0,0,0|1,0,1]=4 14416 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [0,2,0,0,0,0|1,0,1]=4 14417 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [0,2,0,0,0,0|1,0,1]=4 14418 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,2,0,0,0,0|0,0,2]=4 14419 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,2,0,0,0,0|0,0,2]=4 14420 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [0,2,0,0,0,0|2,0,0]=4 14421 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [0,2,0,0,0,0|2,0,0]=4 14422 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [0,2,0,0,0,0|2,0,0]=4 14423 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [0,2,0,0,0,0|2,0,0]=4 14424 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [0,2,0,0,0,0|2,0,0]=4 14425 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [0,2,0,0,0,0|2,0,0]=4 14426 B10R0.71 CCSCCSCCCC#N 62a_100000687738_100000757381 [0,2,0,0,0,0|1,0,1]=4 14427 B10R0.71 CCSCCSCCCC#N 62a_100000757381_100000687738 [0,2,0,0,0,0|1,0,1]=4 14428 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,2,0,0,0,0|0,0,0]=2 14429 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,2,0,0,0,0|0,0,0]=2 14430 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [0,2,0,0,0,0|1,0,1]=4 14431 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [0,2,0,0,0,0|1,0,1]=4 14432 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [0,2,0,0,0,0|0,0,2]=4 14433 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [0,2,0,0,0,0|0,0,2]=4 14434 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [0,2,0,0,0,0|2,0,0]=4 14435 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [0,2,0,0,0,0|2,0,0]=4 14436 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,2,0,0,0,0|0,0,2]=4 14437 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,2,0,0,0,0|0,0,2]=4 14438 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,2,0,0,0,0|0,0,2]=4 14439 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,2,0,0,0,0|0,0,2]=4 14440 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,2,0,0,0,0|0,0,2]=4 14441 B10R0.71 CNCCCCCCN=[N+]=[N-] 2230a_200000049180_200000210301 [0,2,0,0,0,0|2,0,0]=4 14442 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,2,0,0,0,0|0,0,0]=2 14443 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,2,0,0,0,0|1,0,1]=4 14444 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,2,0,0,0,0|0,0,2]=4 14445 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [0,2,0,0,0,0|2,0,0]=4 14446 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [0,2,0,0,0,0|1,0,1]=4 14447 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,2,0,0,0,0|0,0,2]=4 14448 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [0,2,0,0,0,0|2,0,0]=4 14449 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [0,2,0,0,0,0|1,0,0]=3 14450 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,2,0,0,0,0|0,0,2]=4 14451 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,2,0,0,0,0|0,0,2]=4 14452 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,2,0,0,0,0|0,0,2]=4 14453 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,2,0,0,0,0|0,0,2]=4 14454 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,2,0,0,0,0|0,0,2]=4 14455 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,2,0,0,0,0|0,0,2]=4 14456 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,2,0,0,0,0|1,0,1]=4 14457 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,2,0,0,0,0|1,0,1]=4 14458 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,2,0,0,0,0|1,0,1]=4 14459 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,2,0,0,0,0|1,0,1]=4 14460 B10R0.71 COCCCCCNCC#N 2230a_100000747528_100011215382 [0,2,0,0,0,0|1,0,1]=4 14461 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,2,0,0,0,0|0,0,0]=2 14462 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,2,0,0,0,0|0,0,0]=2 14463 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,2,0,0,0,0|1,0,1]=4 14464 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,2,0,0,0,0|1,0,1]=4 14465 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,2,0,0,0,0|1,0,1]=4 14466 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,2,0,0,0,0|0,0,2]=4 14467 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,2,0,0,0,0|0,0,2]=4 14468 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,2,0,0,0,0|2,0,0]=4 14469 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,2,0,0,0,0|2,0,0]=4 14470 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,2,0,0,0,0|2,0,0]=4 14471 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [0,2,0,0,0,0|1,0,1]=4 14472 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [0,2,0,0,0,0|1,0,1]=4 14473 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [0,2,0,0,0,0|2,0,0]=4 14474 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [0,2,0,0,0,0|2,0,0]=4 14475 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [0,2,0,0,0,0|1,0,1]=4 14476 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [0,2,0,0,0,0|1,0,1]=4 14477 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [0,2,0,0,0,0|1,0,1]=4 14478 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [0,2,0,0,0,0|1,0,1]=4 14479 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [0,2,0,0,0,0|1,0,1]=4 14480 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,2,0,0,0,0|0,0,2]=4 14481 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,2,0,0,0,0|2,0,0]=4 14482 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,2,0,0,0,0|2,0,0]=4 14483 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,2,0,0,0,0|2,0,0]=4 14484 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [0,2,0,0,0,0|2,0,0]=4 14485 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [0,2,0,0,0,0|2,0,0]=4 14486 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [0,2,0,0,0,0|2,0,0]=4 14487 B10R0.71 COCCCCSCCC#N 62a_100000730899_100011215226 [0,2,0,0,0,0|1,0,1]=4 14488 B10R0.71 COCCCCSCCC#N 62a_100011215226_100000730899 [0,2,0,0,0,0|1,0,1]=4 14489 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [0,2,0,0,0,0|1,0,1]=4 14490 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [0,2,0,0,0,0|1,0,1]=4 14491 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,2,0,0,0,0|0,0,2]=4 14492 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,2,0,0,0,0|0,0,2]=4 14493 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [0,2,0,0,0,0|2,0,0]=4 14494 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [0,2,0,0,0,0|2,0,0]=4 14495 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [0,2,0,0,0,0|2,0,0]=4 14496 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [0,2,0,0,0,0|2,0,0]=4 14497 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [0,2,0,0,0,0|1,0,1]=4 14498 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,2,0,0,0,0|0,0,2]=4 14499 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,2,0,0,0,0|0,0,2]=4 14500 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,2,0,0,0,0|0,0,2]=4 14501 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [0,2,0,0,0,0|2,0,0]=4 14502 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [0,2,0,0,0,0|2,0,0]=4 14503 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [0,2,0,0,0,0|1,0,1]=4 14504 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [0,2,0,0,0,0|1,0,1]=4 14505 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [0,2,0,0,0,0|1,0,1]=4 14506 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [0,2,0,0,0,0|1,0,1]=4 14507 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [0,2,0,0,0,0|1,0,1]=4 14508 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [0,2,0,0,0,0|1,0,1]=4 14509 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [0,2,0,0,0,0|1,0,1]=4 14510 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [0,2,0,0,0,0|1,0,1]=4 14511 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,2,0,0,0,0|0,0,2]=4 14512 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [0,2,0,0,0,0|2,0,0]=4 14513 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [0,2,0,0,0,0|2,0,0]=4 14514 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [0,2,0,0,0,0|2,0,0]=4 14515 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [0,2,0,0,0,0|2,0,0]=4 14516 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [0,2,0,0,0,0|2,0,0]=4 14517 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [0,2,0,0,0,0|2,0,0]=4 14518 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [0,2,0,0,0,0|2,0,0]=4 14519 B10R0.71 COCCCSCCCC#N 62a_100000687738_100000709357 [0,2,0,0,0,0|1,0,1]=4 14520 B10R0.71 COCCCSCCCC#N 62a_100000709357_100000687738 [0,2,0,0,0,0|1,0,1]=4 14521 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,2,0,0,0,0|0,0,0]=2 14522 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,2,0,0,0,0|0,0,0]=2 14523 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [0,2,0,0,0,0|1,0,1]=4 14524 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [0,2,0,0,0,0|1,0,1]=4 14525 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,2,0,0,0,0|0,0,2]=4 14526 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,2,0,0,0,0|0,0,2]=4 14527 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [0,2,0,0,0,0|2,0,0]=4 14528 B10R0.71 COCCNCCCCC#N 2230a_100000209980_100000211819 [0,2,0,0,0,0|1,0,1]=4 14529 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,2,0,0,0,0|0,0,0]=2 14530 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,2,0,0,0,0|1,0,1]=4 14531 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,2,0,0,0,0|0,0,2]=4 14532 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,2,0,0,0,0|0,0,2]=4 14533 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,2,0,0,0,0|0,0,2]=4 14534 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,2,0,0,0,0|1,0,1]=4 14535 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,2,0,0,0,0|1,0,1]=4 14536 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,2,0,0,0,0|1,0,1]=4 14537 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,2,0,0,0,0|1,0,1]=4 14538 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,2,0,0,0,0|1,0,1]=4 14539 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,2,0,0,0,0|1,0,1]=4 14540 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,2,0,0,0,0|1,0,1]=4 14541 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,2,0,0,0,0|1,0,1]=4 14542 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,2,0,0,0,0|0,0,2]=4 14543 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,2,0,0,0,0|2,0,0]=4 14544 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,2,0,0,0,0|2,0,0]=4 14545 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [0,2,0,0,0,0|1,0,0]=3 14546 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [0,2,0,0,0,0|1,0,0]=3 14547 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [0,2,0,0,0,0|1,0,0]=3 14548 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [0,2,0,0,0,0|1,0,0]=3 14549 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [0,2,0,0,0,0|1,0,0]=3 14550 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [0,2,0,0,0,0|1,0,0]=3 14551 B10R0.71 COCCSCCCCC#N 62a_100000233755_100000211819 [0,2,0,0,0,0|1,0,1]=4 14552 B10R0.71 COCCSCCCCC#N 62a_100011219923_100000233755 [0,2,0,0,0,0|1,0,1]=4 14553 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,2,0,0,0,0|0,0,0]=2 14554 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,2,0,0,0,0|0,0,0]=2 14555 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,2,0,0,0,0|1,0,1]=4 14556 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,2,0,0,0,0|1,0,1]=4 14557 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,2,0,0,0,0|0,0,2]=4 14558 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,2,0,0,0,0|0,0,2]=4 14559 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,2,0,0,0,0|0,0,2]=4 14560 B10R0.71 COCSCCCCCC#N 62a_100000766300_100009813376 [0,2,0,0,0,0|1,0,1]=4 14561 B10R0.71 COCSCCCCCC#N 62a_100009813376_100000766300 [0,2,0,0,0,0|1,0,1]=4 14562 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [0,2,0,0,0,0|0,0,0]=2 14563 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [0,2,0,0,0,0|0,0,0]=2 14564 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [0,2,0,0,0,0|1,0,1]=4 14565 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [0,2,0,0,0,0|1,0,1]=4 14566 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,2,0,0,0,0|0,0,2]=4 14567 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,2,0,0,0,0|0,0,2]=4 14568 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,2,0,0,0,0|0,0,2]=4 14569 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,2,0,0,0,0|0,0,2]=4 14570 B10R0.71 CSCCCCOCCC#N 7a_100011217163_100000184422 [0,2,0,0,0,0|1,0,1]=4 14571 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [0,2,0,0,0,0|1,0,1]=4 14572 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [0,2,0,0,0,0|1,0,1]=4 14573 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,2,0,0,0,0|0,0,2]=4 14574 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,2,0,0,0,0|0,0,2]=4 14575 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [0,2,0,0,0,0|2,0,0]=4 14576 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [0,2,0,0,0,0|2,0,0]=4 14577 B10R0.71 CSCCCNCCCC#N 2230a_100000749238_100000687738 [0,2,0,0,0,0|1,0,1]=4 14578 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,2,0,0,0,0|0,0,0]=2 14579 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [0,2,0,0,0,0|1,0,1]=4 14580 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,2,0,0,0,0|0,0,2]=4 14581 B10R0.71 CSCCCOCCCC#N 7a_100000690336_100000687738 [0,2,0,0,0,0|1,0,1]=4 14582 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,2,0,0,0,0|0,0,0]=2 14583 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [0,2,0,0,0,0|1,0,1]=4 14584 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [0,2,0,0,0,0|1,0,1]=4 14585 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,2,0,0,0,0|0,0,2]=4 14586 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,2,0,0,0,0|0,0,2]=4 14587 B10R0.71 CSCCNCCCCC#N 2230a_100020590264_100000211819 [0,2,0,0,0,0|1,0,1]=4 14588 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,2,0,0,0,0|0,0,0]=2 14589 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [0,2,0,0,0,0|1,0,1]=4 14590 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,2,0,0,0,0|0,0,2]=4 14591 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,2,0,0,0,0|0,0,2]=4 14592 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,2,0,0,0,0|0,0,2]=4 14593 B10R0.71 CSCCOCCCCC#N 7a_100000230434_100000211819 [0,2,0,0,0,0|1,0,1]=4 14594 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,2,0,0,0,0|0,0,0]=2 14595 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,2,0,0,0,0|1,0,1]=4 14596 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,2,0,0,0,0|1,0,1]=4 14597 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,2,0,0,0,0|1,0,1]=4 14598 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,2,0,0,0,0|1,0,1]=4 14599 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,2,0,0,0,0|1,0,1]=4 14600 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,2,0,0,0,0|1,0,1]=4 14601 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,2,0,0,0,0|1,0,1]=4 14602 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,2,0,0,0,0|1,0,1]=4 14603 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,2,0,0,0,0|1,0,1]=4 14604 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,2,0,0,0,0|0,0,2]=4 14605 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,2,0,0,0,0|0,0,2]=4 14606 B10R0.71 CSCCSCCCCC#N 62a_100000212216_100000211819 [0,2,0,0,0,0|1,0,1]=4 14607 B10R0.71 CSCCSCCCCC#N 62a_100011219923_100000751147 [0,2,0,0,0,0|1,0,1]=4 14608 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,2,0,0,0,0|0,0,0]=2 14609 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,2,0,0,0,0|0,0,0]=2 14610 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [0,2,0,0,0,0|1,0,1]=4 14611 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [0,2,0,0,0,0|1,0,1]=4 14612 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,2,0,0,0,0|0,0,2]=4 14613 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,2,0,0,0,0|0,0,2]=4 14614 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,2,0,0,0,0|0,0,2]=4 14615 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,2,0,0,0,0|0,0,2]=4 14616 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [0,2,0,0,0,0|1,0,1]=4 14617 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [0,2,0,0,0,0|1,0,1]=4 14618 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [0,2,0,0,0,0|1,0,1]=4 14619 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [0,2,0,0,0,0|1,0,1]=4 14620 B10R0.71 CSCSCCCCCC#N 62a_100009813376_100011218213 [0,2,0,0,0,0|1,0,1]=4 14621 B10R0.71 CSCSCCCCCC#N 62a_100011218213_100009813376 [0,2,0,0,0,0|1,0,1]=4 14622 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,2,0,0,0,0|0,0,0]=2 14623 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,2,0,0,0,0|0,0,0]=2 14624 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [0,2,0,0,0,0|1,0,1]=4 14625 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [0,2,0,0,0,0|1,0,1]=4 14626 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,2,0,0,0,0|0,0,2]=4 14627 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,2,0,0,0,0|0,0,2]=4 14628 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [0,2,0,0,0,0|1,0,1]=4 14629 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,2,0,0,0,0|1,0,1]=4 14630 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,2,0,0,0,0|1,0,1]=4 14631 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,2,0,0,0,0|1,0,1]=4 14632 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [0,2,0,0,0,0|1,0,1]=4 14633 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [0,2,0,0,0,0|1,0,1]=4 14634 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [0,2,0,0,0,0|1,0,1]=4 14635 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [0,2,0,0,0,0|1,0,1]=4 14636 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [0,2,0,0,0,0|1,0,1]=4 14637 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [0,2,0,0,0,0|1,0,1]=4 14638 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [0,2,0,0,0,0|1,0,1]=4 14639 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [0,2,0,0,0,0|1,0,1]=4 14640 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [0,2,0,0,0,0|1,0,1]=4 14641 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [0,2,0,0,0,0|1,0,1]=4 14642 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [0,2,0,0,0,0|1,0,1]=4 14643 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [0,2,0,0,0,0|1,0,1]=4 14644 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [0,2,0,0,0,0|1,0,1]=4 14645 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [0,2,0,0,0,0|1,0,1]=4 14646 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [0,2,0,0,0,0|1,0,1]=4 14647 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [0,2,0,0,0,0|1,0,1]=4 14648 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [0,2,0,0,0,0|1,0,1]=4 14649 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [0,2,0,0,0,0|1,0,1]=4 14650 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [0,2,0,0,0,0|1,0,1]=4 14651 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [0,2,0,0,0,0|1,0,1]=4 14652 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [0,2,0,0,0,0|1,0,1]=4 14653 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [0,2,0,0,0,0|1,0,1]=4 14654 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,2,0,0,0,0|1,0,1]=4 14655 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,2,0,0,0,0|1,0,1]=4 14656 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,2,0,0,0,0|1,0,1]=4 14657 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,2,0,0,0,0|1,0,1]=4 14658 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [0,2,0,0,0,0|1,0,1]=4 14659 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [0,2,0,0,0,0|1,0,1]=4 14660 B10R0.71 N#CCCCCCCSCF 62a_100009813337_100015361967 [0,2,0,0,0,0|1,0,1]=4 14661 B10R0.71 N#CCCCCCCSCF 62a_100015361967_100009813337 [0,2,0,0,0,0|1,0,1]=4 14662 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [0,2,0,0,0,0|1,0,1]=4 14663 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [0,2,0,0,0,0|0,0,1]=3 14664 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [0,2,0,0,0,0|0,0,1]=3 14665 B10R0.71 N#CCCCCCSCCF 62a_100009813376_100011217306 [0,2,0,0,0,0|1,0,1]=4 14666 B10R0.71 N#CCCCCCSCCF 62a_100011217306_100009813376 [0,2,0,0,0,0|1,0,1]=4 14667 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [0,2,0,0,0,0|1,0,1]=4 14668 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [0,2,0,0,0,0|1,0,1]=4 14669 B10R0.71 N#CCCCCNCCCF 2230a_100015189416_100000211819 [0,2,0,0,0,0|1,0,1]=4 14670 B10R0.71 N#CCCCCSCCCF 62a_100011219923_100011934791 [0,2,0,0,0,0|1,0,1]=4 14671 B10R0.71 N#CCCCCSCCCF 62a_100011934791_100000211819 [0,2,0,0,0,0|1,0,1]=4 14672 B10R0.71 N#CCCCCSCCCO 62a_100011215043_100000211819 [0,2,0,0,0,0|1,0,1]=4 14673 B10R0.71 N#CCCCCSCCCO 62a_100011219923_100011215043 [0,2,0,0,0,0|1,0,1]=4 14674 B10R0.71 N#CCCCNCCCCO 2230a_100000750430_100000687738 [0,2,0,0,0,0|1,0,1]=4 14675 B10R0.71 N#CCCCOCCCCCl 7a_100000210776_100000687738 [0,2,0,0,0,0|1,0,1]=4 14676 B10R0.71 N#CCCCOCCCCF 7a_100011995726_100000687738 [0,2,0,0,0,0|1,0,1]=4 14677 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [0,2,0,0,0,0|0,0,1]=3 14678 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [0,2,0,0,0,0|0,0,1]=3 14679 B10R0.71 N#CCCCSCCCCF 62a_100000687738_100000729493 [0,2,0,0,0,0|1,0,1]=4 14680 B10R0.71 N#CCCCSCCCCF 62a_100000729493_100000687738 [0,2,0,0,0,0|1,0,1]=4 14681 B10R0.71 N#CCCCSCCCCO 62a_100000210776_100000687738 [0,2,0,0,0,0|1,0,1]=4 14682 B10R0.71 N#CCCCSCCCCO 62a_100000687738_100000210776 [0,2,0,0,0,0|1,0,1]=4 14683 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [0,2,0,0,0,0|1,0,1]=4 14684 B10R0.71 N#CCCOCCCCCBr 7a_100000746331_100000184422 [0,2,0,0,0,0|1,0,1]=4 14685 B10R0.71 N#CCCOCCCCCCl 7a_100000746330_100000184422 [0,2,0,0,0,0|1,0,1]=4 14686 B10R0.71 N#CCCOCCCCCI 7a_200012148887_100000184422 [0,2,0,0,0,0|1,0,1]=4 14687 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [0,2,0,0,0,0|0,0,1]=3 14688 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [0,2,0,0,0,0|0,0,1]=3 14689 B10R0.71 N#CCCSCCCCCF 62a_100000729378_100011215226 [0,2,0,0,0,0|1,0,1]=4 14690 B10R0.71 N#CCCSCCCCCF 62a_100011215226_100000729378 [0,2,0,0,0,0|1,0,1]=4 14691 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [0,2,0,0,0,0|1,0,1]=4 14692 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [0,2,0,0,0,0|1,0,1]=4 14693 B10R0.71 N#CCNCCCCCCO 2230a_100000686447_100011215382 [0,2,0,0,0,0|1,0,1]=4 14694 B10R0.71 N#CCOCCCCCCBr 7a_100011215345_100011215382 [0,2,0,0,0,0|1,0,1]=4 14695 B10R0.71 N#CCOCCCCCCCl 7a_100000766143_100011215382 [0,2,0,0,0,0|1,0,1]=4 14696 B10R0.71 N#CCOCCCCCCF 7a_100000732779_100011215382 [0,2,0,0,0,0|1,0,1]=4 14697 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [0,2,0,0,0,0|0,0,1]=3 14698 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [0,2,0,0,0,0|0,0,1]=3 14699 B10R0.71 N#CCSCCCCCCF 62a_100011215382_100015922095 [0,2,0,0,0,0|1,0,1]=4 14700 B10R0.71 N#CCSCCCCCCF 62a_100015922095_100011215382 [0,2,0,0,0,0|1,0,1]=4 14701 B10R0.71 N#CCSCCCCCCO 62a_100000766143_100011215382 [0,2,0,0,0,0|1,0,1]=4 14702 B10R0.71 N#CCSCCCCCCO 62a_100011215382_100000766143 [0,2,0,0,0,0|1,0,1]=4 14703 B10R0.71 N#CSCCSCCCC=O 62a_100000034367_200011292268 [0,2,0,0,0,0|1,0,1]=4 14704 B10R0.71 N#CSCCSCCCC=O 62a_200011292268_100000034367 [0,2,0,0,0,0|1,0,1]=4 14705 B10R0.71 N#CSCSCCCCC=O 62a_100000139335_100000211825 [0,2,0,0,0,0|1,0,1]=4 14706 B10R0.71 N#CSCSCCCCC=O 62a_100000211825_100000139335 [0,2,0,0,0,0|1,0,1]=4 14707 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [0,2,0,0,0,0|1,0,1]=4 14708 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [0,2,0,0,0,0|0,0,0]=2 14709 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,2,0,0,0,0|1,0,1]=4 14710 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,2,0,0,0,0|0,0,2]=4 14711 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [0,2,0,0,0,0|1,0,1]=4 14712 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,2,0,0,0,0|0,0,2]=4 14713 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [0,2,0,0,0,0|1,0,1]=4 14714 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,2,0,0,0,0|0,0,2]=4 14715 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [0,2,0,0,0,0|1,0,1]=4 14716 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,2,0,0,0,0|0,0,2]=4 14717 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,2,0,0,0,0|1,0,1]=4 14718 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,2,0,0,0,0|0,0,2]=4 14719 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,2,0,0,0,0|2,0,0]=4 14720 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,2,0,0,0,0|2,0,0]=4 14721 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,2,0,0,0,0|0,0,0]=2 14722 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [0,2,0,0,0,0|0,0,1]=3 14723 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [0,2,0,0,0,0|0,0,1]=3 14724 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [0,2,0,0,0,0|0,0,0]=2 14725 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [0,2,0,0,0,0|0,0,0]=2 14726 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,2,0,0,0,0|0,0,0]=2 14727 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,2,0,0,0,0|0,0,0]=2 14728 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,2,0,0,0,0|0,0,0]=2 14729 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,2,0,0,0,0|0,0,0]=2 14730 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,2,0,0,0,0|0,0,0]=2 14731 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,2,0,0,0,0|0,0,0]=2 14732 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,2,0,0,0,0|0,0,0]=2 14733 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,2,0,0,0,0|0,0,0]=2 14734 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,2,0,0,0,0|0,0,0]=2 14735 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,2,0,0,0,0|0,0,0]=2 14736 B10R0.71 O=CCCCSCC#CCO 62a_200000047223_200011292268 [0,2,0,0,0,0|0,0,2]=4 14737 B10R0.71 O=CCCCSCC#CCO 62a_200011292268_200000047223 [0,2,0,0,0,0|0,0,2]=4 14738 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [0,2,0,0,0,0|0,0,1]=3 14739 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,2,0,0,0,0|0,0,0]=2 14740 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,2,0,0,0,0|0,0,0]=2 14741 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,2,0,0,0,0|0,0,0]=2 14742 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,2,0,0,0,0|0,0,0]=2 14743 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,2,0,0,0,0|0,0,0]=2 14744 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,2,0,0,0,0|0,0,0]=2 14745 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [0,2,0,0,0,0|0,0,0]=2 14746 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [0,2,0,0,0,0|0,0,0]=2 14747 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [0,2,0,0,0,0|0,0,0]=2 14748 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [0,2,0,0,0,0|0,0,0]=2 14749 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [0,2,0,0,0,0|0,0,0]=2 14750 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [0,2,0,0,0,0|0,0,0]=2 14751 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [0,2,0,0,0,0|0,0,0]=2 14752 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [0,2,0,0,0,0|0,0,0]=2 14753 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,2,0,0,0,0|0,0,0]=2 14754 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,2,0,0,0,0|0,0,0]=2 14755 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,2,0,0,0,0|0,0,2]=4 14756 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,2,0,0,0,0|0,0,2]=4 14757 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,2,0,0,0,0|0,0,2]=4 14758 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,2,0,0,0,0|0,0,2]=4 14759 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,2,0,0,0,0|0,0,2]=4 14760 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,2,0,0,0,0|0,0,2]=4 14761 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,2,0,0,0,0|0,0,2]=4 14762 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,2,0,0,0,0|0,0,2]=4 14763 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,2,0,0,0,0|0,0,2]=4 14764 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,2,0,0,0,0|0,0,2]=4 14765 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,2,0,0,0,0|0,0,2]=4 14766 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,2,0,0,0,0|0,0,2]=4 14767 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,2,0,0,0,0|0,0,2]=4 14768 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,2,0,0,0,0|0,0,2]=4 14769 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,2,0,0,0,0|0,0,2]=4 14770 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,2,0,0,0,0|0,0,2]=4 14771 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,2,0,0,0,0|0,0,2]=4 14772 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,2,0,0,0,0|0,0,2]=4 14773 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,2,0,0,0,0|0,0,2]=4 14774 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,2,0,0,0,0|0,0,2]=4 14775 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,2,0,0,0,0|0,0,2]=4 14776 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,2,0,0,0,0|0,0,2]=4 14777 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,2,0,0,0,0|0,0,2]=4 14778 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,2,0,0,0,0|0,0,2]=4 14779 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,2,0,0,0,0|0,0,2]=4 14780 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,2,0,0,0,0|0,0,2]=4 14781 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,2,0,0,0,0|0,0,2]=4 14782 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,2,0,0,0,0|0,0,2]=4 14783 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,2,0,0,0,0|0,0,2]=4 14784 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,2,0,0,0,0|0,0,2]=4 14785 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,2,0,0,0,0|0,0,2]=4 14786 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,2,0,0,0,0|0,0,2]=4 14787 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,2,0,0,0,0|0,0,2]=4 14788 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,2,0,0,0,0|0,0,2]=4 14789 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,2,0,0,0,0|0,0,2]=4 14790 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,2,0,0,0,0|0,0,2]=4 14791 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,2,0,0,0,0|0,0,2]=4 14792 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,2,0,0,0,0|0,0,2]=4 14793 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,2,0,0,0,0|0,0,2]=4 14794 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,2,0,0,0,0|0,0,2]=4 14795 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,2,0,0,0,0|0,0,2]=4 14796 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,2,0,0,0,0|0,0,2]=4 14797 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,2,0,0,0,0|0,0,2]=4 14798 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,2,0,0,0,0|0,0,2]=4 14799 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,2,0,0,0,0|0,0,2]=4 14800 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,2,0,0,0,0|0,0,2]=4 14801 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,2,0,0,0,0|0,0,2]=4 14802 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,2,0,0,0,0|0,0,2]=4 14803 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,2,0,0,0,0|0,0,2]=4 14804 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,2,0,0,0,0|0,0,2]=4 14805 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,2,0,0,0,0|0,0,2]=4 14806 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,2,0,0,0,0|0,0,2]=4 14807 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,2,0,0,0,0|0,0,2]=4 14808 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,2,0,0,0,0|0,0,2]=4 14809 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,2,0,0,0,0|0,0,2]=4 14810 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,2,0,0,0,0|0,0,2]=4 14811 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,2,0,0,0,0|0,0,2]=4 14812 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,2,0,0,0,0|0,0,2]=4 14813 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,2,0,0,0,0|0,0,2]=4 14814 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,2,0,0,0,0|0,0,2]=4 14815 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,2,0,0,0,0|0,0,2]=4 14816 B10R0.71 [13CH3]NCCCCCCN=[N+]=[N-] 2230a_200000049180_200025704644 [0,2,0,0,0,0|2,0,0]=4 14817 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,2,0,0,0,0|0,0,2]=4 14818 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,2,0,0,0,0|0,0,2]=4 14819 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,2,0,0,0,0|0,0,2]=4 14820 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,2,0,0,0,0|0,0,2]=4 14821 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,2,0,0,0,0|0,0,2]=4 14822 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,2,0,0,0,0|1,0,1]=4 14823 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,2,0,0,0,0|0,0,2]=4 14824 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,2,0,0,0,0|0,0,2]=4 14825 B10R0.71 [N-]=[N+]=NCCCCNCC=O 2230a_100000101370_200015260668 [0,2,0,0,0,0|2,0,0]=4 14826 B10R0.41 C#CC(CC)OCCCC=C 34a_100000758843_100000757094 [0,2,0,0,0,0|2,0,0]=4 14827 B10R0.41 C#CC(CC)OCCCC=C 7a_100000758843_100000757094 [0,2,0,0,0,0|2,0,0]=4 14828 B10R0.41 C#CC(CC)OCCCC=O 7a_100000758843_200011292268 [0,2,0,0,0,0|1,0,0]=3 14829 B10R0.41 C=CC(C=C)OCCCCC 34a_100000033096_100000718602 [0,2,0,0,0,0|2,0,0]=4 14830 B10R0.41 C=CC(CC)OCCCC=O 7a_100000766422_200011292268 [0,2,0,0,0,0|1,0,0]=3 14831 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [0,2,0,0,0,0|2,0,0]=4 14832 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [0,2,0,0,0,0|2,0,0]=4 14833 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|1,0,0]=3 14834 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|1,0,0]=3 14835 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|1,0,0]=3 14836 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|1,0,0]=3 14837 B10R0.41 C=CCCCCN(CC)CC 2230a_100000724800_100011215482 [0,2,0,0,0,0|2,0,0]=4 14838 B10R0.41 C=CCCCCN(CC)CC 269956a_100000042499_100011215482 [0,2,0,0,0,0|2,0,0]=4 14839 B10R0.41 C=CCCCCN(CC)CC 269982a_100000724800_100011215482 [0,2,0,0,0,0|2,0,0]=4 14840 B10R0.41 C=CCCCNC(CC)CC 2230a_100000199018_100011713584 [0,2,0,0,0,0|2,0,0]=4 14841 B10R0.41 C=CCCCNC(CC)CC 270004a_100000700776_100000210860 [0,2,0,0,0,0|2,0,0]=4 14842 B10R0.41 C=CCCCN[C@@H](CC)CO 2230a_100000709445_100011713584 [0,2,0,0,0,0|2,0,0]=4 14843 B10R0.41 C=CCCCOC(C=C)CC 34a_100000766422_100000757094 [0,2,0,0,0,0|2,0,0]=4 14844 B10R0.41 C=CCCCOC(C=C)CC 7a_100000766422_100000757094 [0,2,0,0,0,0|2,0,0]=4 14845 B10R0.41 C=CCCCOC(CC)CC 7a_100000688536_100000757094 [0,2,0,0,0,0|2,0,0]=4 14846 B10R0.41 C=CCCCOC(CC)CC 7a_100000758997_100000210505 [0,2,0,0,0,0|2,0,0]=4 14847 B10R0.41 C=CCCCSC(CC)CC 62a_100000210505_100000757094 [0,2,0,0,0,0|2,0,0]=4 14848 B10R0.41 C=CCCCSC(CC)CC 62a_100011713584_100000210505 [0,2,0,0,0,0|2,0,0]=4 14849 B10R0.41 C=CCCNCC(CC)CC 2230a_100015191253_100011215472 [0,2,0,0,0,0|2,0,0]=4 14850 B10R0.41 C=CCCNCC(CC)CC 2230a_100102946423_100000754431 [0,2,0,0,0,0|2,0,0]=4 14851 B10R0.41 C=CCCNCC(CC)CC 269862a_100015191253_100000211137 [0,2,0,0,0,0|2,0,0]=4 14852 B10R0.41 C=CCCNCC(CC)CC 270004a_100015191253_100000211137 [0,2,0,0,0,0|2,0,0]=4 14853 B10R0.41 C=CCCOCC(CC)CC 34a_100011205117_100011215472 [0,2,0,0,0,0|2,0,0]=4 14854 B10R0.41 C=CCCOCC(CC)CC 7a_100000703878_100000754431 [0,2,0,0,0,0|2,0,0]=4 14855 B10R0.41 C=CCCOCC(CC)OC 34a_100011934954_100000754431 [0,2,0,0,0,0|2,0,0]=4 14856 B10R0.41 C=CCCOCC(CC)OC 7a_100011934954_100000754431 [0,2,0,0,0,0|2,0,0]=4 14857 B10R0.41 C=CCCSCC(CC)CC 62a_100000754431_100011215472 [0,2,0,0,0,0|2,0,0]=4 14858 B10R0.41 C=CCCSCC(CC)CC 62a_100011215472_100000754431 [0,2,0,0,0,0|2,0,0]=4 14859 B10R0.41 C=C[C@@H](CO)NCCCC=O 2230a_100016989147_200011292268 [0,2,0,0,0,0|2,0,0]=4 14860 B10R0.41 C=C[C@@H](CO)NCCCCC 2230a_100016989147_100000210326 [0,2,0,0,0,0|2,0,0]=4 14861 B10R0.41 C=C[C@@H](CO)NCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|2,0,0]=4 14862 B10R0.41 CCC(CC)NCCCC=O 2230a_100000199018_200011292268 [0,2,0,0,0,0|1,0,0]=3 14863 B10R0.41 CCC(CC)OCCCC=O 7a_100000688536_200011292268 [0,2,0,0,0,0|1,0,0]=3 14864 B10R0.41 CCC(CC)SCCCC=O 62a_100000210505_200011292268 [0,2,0,0,0,0|1,0,0]=3 14865 B10R0.41 CCC(CC)SCCCC=O 62a_200011292268_100000210505 [0,2,0,0,0,0|1,0,0]=3 14866 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [0,2,0,0,0,0|1,0,1]=4 14867 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,2,0,0,0,0|1,0,1]=4 14868 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,2,0,0,0,0|1,0,1]=4 14869 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,2,0,0,0,0|1,0,1]=4 14870 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,2,0,0,0,0|1,0,1]=4 14871 B10R0.41 CCCCCNC(C=O)C=O 2230a_100000209983_100000736813 [0,2,0,0,0,0|1,0,0]=3 14872 B10R0.41 CCCCCOC(C=O)C=O 34a_100000210253_100000736813 [0,2,0,0,0,0|1,0,0]=3 14873 B10R0.41 CCCCCSC(C=O)C=O 62a_100000210326_100000736813 [0,2,0,0,0,0|1,0,0]=3 14874 B10R0.41 CCCCCSC(C=O)C=O 62a_100000736813_100000210326 [0,2,0,0,0,0|1,0,0]=3 14875 B10R0.41 CCN(CC)CCCCC=O 2230a_100000724800_100000139335 [0,2,0,0,0,0|1,0,0]=3 14876 B10R0.41 CCN(CC)CCCCC=O 269956a_100000042499_100000139335 [0,2,0,0,0,0|1,0,0]=3 14877 B10R0.41 CCN(CC)CCCCC=O 269982a_100000724800_100000139335 [0,2,0,0,0,0|1,0,0]=3 14878 B10R0.41 CCN(CC)CCNCC=O 2230a_100015382049_200015260668 [0,2,0,0,0,0|2,0,0]=4 14879 B10R0.41 CCN(CC)CCOCC=O 7a_100016990331_200015260668 [0,2,0,0,0,0|2,0,0]=4 14880 B10R0.41 CCN(CC)CCSCC=O 62a_200015260668_100000700428 [0,2,0,0,0,0|2,0,0]=4 14881 B10R0.41 CCOCCNC(C=O)C=O 2230a_102516460346_100000736813 [0,2,0,0,0,0|2,0,0]=4 14882 B10R0.41 CCOCCNC(C=O)C=O 34a_102516460346_100000736813 [0,2,0,0,0,0|2,0,0]=4 14883 B10R0.41 CCOCCOC(C=O)C=O 34a_100000210136_100000736813 [0,2,0,0,0,0|2,0,0]=4 14884 B10R0.41 CCOCCSC(C=O)C=O 62a_100000210147_100000736813 [0,2,0,0,0,0|2,0,0]=4 14885 B10R0.41 CCOCCSC(C=O)C=O 62a_100000736813_100011215890 [0,2,0,0,0,0|2,0,0]=4 14886 B10R0.41 CCSCCNC(C=O)C=O 2230a_100000106463_100000736813 [0,2,0,0,0,0|2,0,0]=4 14887 B10R0.41 CCSCCOC(C=O)C=O 34a_100000212035_100000736813 [0,2,0,0,0,0|2,0,0]=4 14888 B10R0.41 CCSCCSC(C=O)C=O 62a_100000736813_100000757381 [0,2,0,0,0,0|2,0,0]=4 14889 B10R0.41 CCSCCSC(C=O)C=O 62a_100000757381_100000736813 [0,2,0,0,0,0|2,0,0]=4 14890 B10R0.41 CC[C@@H](CO)NCCCC=O 2230a_100000709445_200011292268 [0,2,0,0,0,0|1,0,0]=3 14891 B10R0.41 CNCCCOC(C=O)C=O 34a_100000213112_100000736813 [0,2,0,0,0,0|2,0,0]=4 14892 B10R0.41 COC(CCSCC=O)OC 62a_100000139399_200015260668 [0,2,0,0,0,0|2,0,0]=4 14893 B10R0.41 COC(CCSCC=O)OC 62a_200015260668_100000139399 [0,2,0,0,0,0|2,0,0]=4 14894 B10R0.41 COCCCNC(C=O)C=O 34a_100150723488_100000736813 [0,2,0,0,0,0|2,0,0]=4 14895 B10R0.41 COCCCOC(C=O)C=O 34a_100000740835_100000736813 [0,2,0,0,0,0|2,0,0]=4 14896 B10R0.41 COCCCSC(C=O)C=O 62a_100000709357_100000736813 [0,2,0,0,0,0|2,0,0]=4 14897 B10R0.41 COCCCSC(C=O)C=O 62a_100000736813_100000709357 [0,2,0,0,0,0|2,0,0]=4 14898 B10R0.41 CSCCCNC(C=O)C=O 2230a_100000749238_100000736813 [0,2,0,0,0,0|2,0,0]=4 14899 B10R0.41 CSCCCOC(C=O)C=O 34a_100000690336_100000736813 [0,2,0,0,0,0|2,0,0]=4 14900 B10R0.41 NCCCCOC(C=O)C=O 34a_100000750430_100000736813 [0,2,0,0,0,0|2,0,0]=4 14901 B10R0.41 O=CC(C=O)NCCCCO 2230a_100000750430_100000736813 [0,2,0,0,0,0|2,0,0]=4 14902 B10R0.41 O=CC(C=O)NCCCCO 34a_100000750430_100000736813 [0,2,0,0,0,0|2,0,0]=4 14903 B10R0.41 O=CC(C=O)OCCCCBr 34a_100011216708_100000736813 [0,2,0,0,0,0|2,0,0]=4 14904 B10R0.41 O=CC(C=O)OCCCCCl 34a_100000210776_100000736813 [0,2,0,0,0,0|2,0,0]=4 14905 B10R0.41 O=CC(C=O)OCCCCF 34a_100011995726_100000736813 [0,2,0,0,0,0|2,0,0]=4 14906 B10R0.41 O=CC(C=O)OCCCCI 34a_200012148704_100000736813 [0,2,0,0,0,0|2,0,0]=4 14907 B10R0.41 O=CC(C=O)SCCCCF 62a_100000729493_100000736813 [0,2,0,0,0,0|2,0,0]=4 14908 B10R0.41 O=CC(C=O)SCCCCF 62a_100000736813_100000729493 [0,2,0,0,0,0|2,0,0]=4 14909 B10R0.41 O=CC(C=O)SCCCCO 62a_100000210776_100000736813 [0,2,0,0,0,0|2,0,0]=4 14910 B10R0.41 O=CC(C=O)SCCCCO 62a_100000736813_100000210776 [0,2,0,0,0,0|2,0,0]=4 14911 B10R0.41 O=CCCCNC(CO)CO 2230a_100000759517_200011292268 [0,2,0,0,0,0|2,0,0]=4 14912 B10R0.41 O=CCCCOC(CCl)CCl 7a_100000737055_200011292268 [0,2,0,0,0,0|2,0,0]=4 14913 B10R0.41 O=CCCCOC(CF)CF 7a_100000032261_200011292268 [0,2,0,0,0,0|2,0,0]=4 14914 B10R0.41 O=CCCCO[C@@H](CF)CCl 7a_100015614560_200011292268 [0,2,0,0,0,0|2,0,0]=4 14915 B10R0.59 C=CC(C)COCC(C)CC 34a_100011215527_100000748023 [0,2,0,0,0,0|2,0,0]=4 14916 B10R0.59 C=CC(C)COCC(C)CC 7a_100011215527_100000748023 [0,2,0,0,0,0|2,0,0]=4 14917 B10R0.59 C=CC(C)COCC(O)CC 34a_100011215527_100011218378 [0,2,0,0,0,0|2,0,0]=4 14918 B10R0.59 C=CC(C)COCC(O)CC 7a_100011215527_100011218378 [0,2,0,0,0,0|2,0,0]=4 14919 B10R0.59 C=CC(C)COC[C@@H](C)CC 34a_100011215527_100009816398 [0,2,0,0,0,0|2,0,0]=4 14920 B10R0.59 C=CC(C)COC[C@@H](C)CC 7a_100011215527_100009816398 [0,2,0,0,0,0|2,0,0]=4 14921 B10R0.59 C=CC(O)CNCC(C)CC 2230a_100020588543_100000730141 [0,2,0,0,0,0|2,0,0]=4 14922 B10R0.59 C=CC(O)CNCC(O)CC 2230a_100011218483_100000730141 [0,2,0,0,0,0|2,0,0]=4 14923 B10R0.59 C=CC(O)COC[C@@H](C)CC 7a_100009816381_100000730141 [0,2,0,0,0,0|2,0,0]=4 14924 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000730141_100000748023 [0,2,0,0,0,0|2,0,0]=4 14925 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000748023_100000730141 [0,2,0,0,0,0|2,0,0]=4 14926 B10R0.59 C=CC(O)CSCC(O)CC 62a_100000730141_100011218378 [0,2,0,0,0,0|2,0,0]=4 14927 B10R0.59 C=CC(O)CSCC(O)CC 62a_100011218378_100000730141 [0,2,0,0,0,0|2,0,0]=4 14928 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100000730141_100009816398 [0,2,0,0,0,0|2,0,0]=4 14929 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100009816398_100000730141 [0,2,0,0,0,0|2,0,0]=4 14930 B10R0.59 C=C[C@H](N)COCC(C)CC 34a_100016989147_100000748023 [0,2,0,0,0,0|2,0,0]=4 14931 B10R0.59 C=C[C@H](N)COCC(O)CC 34a_100016989147_100011218378 [0,2,0,0,0,0|2,0,0]=4 14932 B10R0.59 C=C[C@H](N)COC[C@@H](C)CC 34a_100016989147_100009816398 [0,2,0,0,0,0|2,0,0]=4 14933 B10R0.62 C=CC(C)(C)OCCCCC 34a_100011215311_100000718602 [0,2,0,0,0,0|2,0,0]=4 14934 B10R0.62 C=CC(C)(C)OCCCCC 7a_100011215311_100000210326 [0,2,0,0,0,0|2,0,0]=4 14935 B10R0.62 C=CC(F)(F)SCCCCC 62a_100000210326_100009814244 [0,2,0,0,0,0|2,0,0]=4 14936 B10R0.62 C=CC(F)(F)SCCCCC 62a_100009814244_100000210326 [0,2,0,0,0,0|2,0,0]=4 14937 B10R0.62 C=CCCCNC(C)(C)CC 2230a_100000211385_100011713584 [0,2,0,0,0,0|2,0,0]=4 14938 B10R0.62 C=CCCCOC(C)(C)CC 7a_100000210230_100000757094 [0,2,0,0,0,0|2,0,0]=4 14939 B10R0.62 C=CCCCOC(C)(C)CC 7a_100000758997_100000210677 [0,2,0,0,0,0|2,0,0]=4 14940 B10R0.62 C=CCCCSC(C)(C)CC 62a_100000032637_100000757094 [0,2,0,0,0,0|2,0,0]=4 14941 B10R0.62 C=CCCCSC(C)(C)CC 62a_100011713584_100000032637 [0,2,0,0,0,0|2,0,0]=4 14942 B10R0.62 C=CCCOCC(C)(C)CC 7a_100000765029_100000754431 [0,2,0,0,0,0|2,0,0]=4 14943 B10R0.62 CC(C)(CCl)OCCCC=O 7a_100000764493_200011292268 [0,2,0,0,0,0|2,0,0]=4 14944 B10R0.62 CC(C)(CO)NCCCC=O 2230a_100000210608_200011292268 [0,2,0,0,0,0|2,0,0]=4 14945 B10R0.62 CCC(C)(C)NCCCC=O 2230a_100000211385_200011292268 [0,2,0,0,0,0|1,0,0]=3 14946 B10R0.62 CCC(C)(C)OCCCC=O 7a_100000210230_200011292268 [0,2,0,0,0,0|1,0,0]=3 14947 B10R0.62 CCC(C)(C)SCCCC=O 62a_100000032637_200011292268 [0,2,0,0,0,0|1,0,0]=3 14948 B10R0.62 CCC(C)(C)SCCCC=O 62a_200011292268_100000032637 [0,2,0,0,0,0|1,0,0]=3 14949 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [0,2,0,0,0,0|2,0,0]=4 14950 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [0,2,0,0,0,0|2,0,0]=4 14951 B10R0.62 CCS(=O)(=O)CCNCC=O 2230a_100000751051_200015260668 [0,2,0,0,0,0|2,0,0]=4 14952 B10R0.62 CCS(=O)(=O)CCNCC=O 34a_100000751051_200009817547 [0,2,0,0,0,0|2,0,0]=4 14953 B10R0.62 CCS(=O)(=O)CCOCC=O 34a_200011216379_200009817547 [0,2,0,0,0,0|2,0,0]=4 14954 B10R0.62 CCS(=O)(=O)CCOCC=O 7a_200011216379_200015260668 [0,2,0,0,0,0|2,0,0]=4 14955 B10R0.62 CCS(=O)(=O)CCSCC=O 62a_100000756660_200015260668 [0,2,0,0,0,0|2,0,0]=4 14956 B10R0.62 CCS(=O)(=O)CCSCC=O 62a_200015260668_100000756660 [0,2,0,0,0,0|2,0,0]=4 14957 B10R0.62 COC(C)(C)CCOCC=O 7a_100000699976_200015260668 [0,2,0,0,0,0|2,0,0]=4 14958 B10R0.62 O=CCCCSC(F)(F)CO 62a_100011217949_200011292268 [0,2,0,0,0,0|2,0,0]=4 14959 B10R0.62 O=CCCCSC(F)(F)CO 62a_200011292268_100011217949 [0,2,0,0,0,0|2,0,0]=4 14960 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,1,0,0|1,0,1]=4 14961 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,1,0,0|1,0,1]=4 14962 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 14963 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|1,0,1]=4 14964 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 14965 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|1,0,1]=4 14966 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|1,0,1]=4 14967 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|1,0,1]=4 14968 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 14969 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,1]=4 14970 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 14971 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|1,0,1]=4 14972 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|1,0,1]=4 14973 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|1,0,1]=4 14974 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,1]=4 14975 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,1]=4 14976 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 14977 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 14978 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|1,0,1]=4 14979 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 14980 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 14981 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|1,0,1]=4 14982 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|1,0,1]=4 14983 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|1,0,1]=4 14984 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,1]=4 14985 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,1]=4 14986 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 14987 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 14988 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 14989 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 14990 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 14991 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 14992 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [1,0,0,1,0,0|1,0,1]=4 14993 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [1,0,0,1,0,0|1,0,1]=4 14994 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,1,0,0|1,0,1]=4 14995 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,1,0,0|1,0,1]=4 14996 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,1,0,0|1,0,1]=4 14997 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,1,0,0|1,0,1]=4 14998 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,1,0,0|1,0,1]=4 14999 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,1,0,0|1,0,1]=4 15000 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 15001 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,1]=4 15002 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 15003 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|1,0,1]=4 15004 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,1,0,0|1,0,1]=4 15005 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,1,0,0|1,0,1]=4 15006 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 15007 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 15008 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|1,0,1]=4 15009 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 15010 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|1,0,1]=4 15011 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 15012 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,1,0,0|1,0,1]=4 15013 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,1,0,0|1,0,1]=4 15014 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,1,0,0|1,0,1]=4 15015 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,1,0,0|1,0,1]=4 15016 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|1,0,1]=4 15017 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|1,0,1]=4 15018 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|1,0,1]=4 15019 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 15020 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 15021 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 15022 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,1]=4 15023 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,1]=4 15024 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|1,0,1]=4 15025 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|1,0,1]=4 15026 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [1,0,0,1,0,0|2,0,0]=4 15027 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [1,0,0,1,0,0|2,0,0]=4 15028 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [1,0,0,1,0,0|2,0,0]=4 15029 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 15030 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 15031 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [1,0,0,1,0,0|2,0,0]=4 15032 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [1,0,0,1,0,0|2,0,0]=4 15033 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [1,0,0,1,0,0|1,0,0]=3 15034 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [1,0,0,1,0,0|1,0,0]=3 15035 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [1,0,0,1,0,0|2,0,0]=4 15036 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [1,0,0,1,0,0|2,0,0]=4 15037 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [1,0,0,1,0,0|1,0,1]=4 15038 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [1,0,0,1,0,0|1,0,1]=4 15039 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 15040 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 15041 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,1,0,0|1,0,1]=4 15042 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,1,0,0|1,0,1]=4 15043 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|1,0,1]=4 15044 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|1,0,1]=4 15045 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 15046 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 15047 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 15048 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,1]=4 15049 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,1]=4 15050 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|1,0,1]=4 15051 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|1,0,1]=4 15052 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 15053 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 15054 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [1,0,0,1,0,0|2,0,0]=4 15055 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [1,0,0,1,0,0|2,0,0]=4 15056 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [1,0,0,1,0,0|2,0,0]=4 15057 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 15058 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 15059 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [1,0,0,1,0,0|2,0,0]=4 15060 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [1,0,0,1,0,0|2,0,0]=4 15061 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [1,0,0,1,0,0|2,0,0]=4 15062 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [1,0,0,1,0,0|2,0,0]=4 15063 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [1,0,0,1,0,0|1,0,1]=4 15064 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [1,0,0,1,0,0|1,0,1]=4 15065 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [1,0,0,1,0,0|1,0,1]=4 15066 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [1,0,0,1,0,0|1,0,1]=4 15067 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [1,0,0,1,0,0|1,0,1]=4 15068 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [1,0,0,1,0,0|1,0,1]=4 15069 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [1,0,0,1,0,0|1,0,1]=4 15070 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [1,0,0,1,0,0|1,0,1]=4 15071 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [1,0,0,1,0,0|1,0,1]=4 15072 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [1,0,0,1,0,0|1,0,1]=4 15073 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [1,0,0,1,0,0|1,0,1]=4 15074 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [1,0,0,1,0,0|1,0,1]=4 15075 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [1,0,0,1,0,0|1,0,1]=4 15076 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [1,0,0,1,0,0|1,0,1]=4 15077 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,1,0,0|1,0,1]=4 15078 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,1,0,0|1,0,1]=4 15079 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,1,0,0|1,0,1]=4 15080 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,1,0,0|1,0,1]=4 15081 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [1,0,0,1,0,0|1,0,1]=4 15082 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [1,0,0,1,0,0|1,0,1]=4 15083 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [1,0,0,1,0,0|1,0,1]=4 15084 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|1,0,1]=4 15085 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|1,0,1]=4 15086 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [1,0,0,1,0,0|1,0,1]=4 15087 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [1,0,0,1,0,0|1,0,1]=4 15088 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,1,0,0|1,0,1]=4 15089 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,1,0,0|1,0,1]=4 15090 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [1,0,0,1,0,0|1,0,1]=4 15091 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [1,0,0,1,0,0|1,0,1]=4 15092 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [1,0,0,1,0,0|2,0,0]=4 15093 B8R1.10 FCCNC1CCC1 2230a_100000749019_100011217306 [1,0,0,1,0,0|2,0,0]=4 15094 B8R1.10 FCCNC1CCC1 34a_100000724931_100000749161 [1,0,0,1,0,0|2,0,0]=4 15095 B8R1.10 FCCNC1CCC1 34a_100000749019_100011217306 [1,0,0,1,0,0|2,0,0]=4 15096 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [1,0,0,1,0,0|2,0,0]=4 15097 B8R1.10 FCCSC1CCC1 62a_100011217306_100000749161 [1,0,0,1,0,0|2,0,0]=4 15098 B8R1.10 FCNCC1CCC1 34a_100000738700_100015361967 [1,0,0,1,0,0|2,0,0]=4 15099 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [1,0,0,1,0,0|2,0,0]=4 15100 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [1,0,0,1,0,0|2,0,0]=4 15101 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [1,0,0,1,0,0|2,0,0]=4 15102 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [1,0,0,1,0,0|2,0,0]=4 15103 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [1,0,0,1,0,0|1,0,0]=3 15104 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [1,0,0,1,0,0|1,0,0]=3 15105 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [1,0,0,1,0,0|2,0,0]=4 15106 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [1,0,0,1,0,0|1,0,0]=3 15107 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [1,0,0,1,0,0|2,0,0]=4 15108 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [1,0,0,1,0,0|1,0,0]=3 15109 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [1,0,0,1,0,0|2,0,0]=4 15110 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [1,0,0,1,0,0|1,0,1]=4 15111 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [1,0,0,1,0,0|1,0,1]=4 15112 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [1,0,0,1,0,0|1,0,1]=4 15113 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [1,0,0,1,0,0|1,0,1]=4 15114 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [1,0,0,1,0,0|1,0,1]=4 15115 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [1,0,0,1,0,0|1,0,1]=4 15116 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [1,0,0,1,0,0|1,0,1]=4 15117 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 15118 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 15119 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 15120 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 15121 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 15122 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 15123 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 15124 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 15125 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [1,0,0,1,0,0|1,0,1]=4 15126 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [1,0,0,1,0,0|1,0,1]=4 15127 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [1,0,0,1,0,0|1,0,1]=4 15128 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [1,0,0,1,0,0|1,0,1]=4 15129 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [1,0,0,1,0,0|1,0,1]=4 15130 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 15131 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 15132 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 15133 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|1,0,0]=3 15134 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|1,0,0]=3 15135 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|1,0,0]=3 15136 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|1,0,1]=4 15137 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 15138 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 15139 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|2,0,0]=4 15140 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|2,0,0]=4 15141 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|2,0,0]=4 15142 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|1,0,0]=3 15143 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|1,0,0]=3 15144 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 15145 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 15146 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|2,0,0]=4 15147 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [1,0,0,1,0,0|2,0,0]=4 15148 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,0,0,1,0,0|2,0,0]=4 15149 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,0,0,1,0,0|2,0,0]=4 15150 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|1,0,0]=3 15151 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|1,0,0]=3 15152 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|2,0,0]=4 15153 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|2,0,0]=4 15154 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,0,0,1,0,0|1,0,1]=4 15155 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,0,0,1,0,0|1,0,1]=4 15156 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 15157 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 15158 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [1,0,0,1,0,0|2,0,0]=4 15159 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 15160 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 15161 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 15162 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 15163 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 15164 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|1,0,0]=3 15165 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [1,0,0,1,0,0|2,0,0]=4 15166 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,0,0,1,0,0|2,0,0]=4 15167 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,0,0,1,0,0|2,0,0]=4 15168 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|1,0,0]=3 15169 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|1,0,0]=3 15170 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|2,0,0]=4 15171 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|2,0,0]=4 15172 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,0,0,1,0,0|1,0,1]=4 15173 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,0,0,1,0,0|1,0,1]=4 15174 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [1,0,0,1,0,0|1,0,1]=4 15175 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [1,0,0,1,0,0|1,0,1]=4 15176 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [1,0,0,1,0,0|1,0,0]=3 15177 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [1,0,0,1,0,0|1,0,0]=3 15178 B8R1.13 CC1CCN1CCF 269982a_100000755817_100011217306 [1,0,0,1,0,0|2,0,0]=4 15179 B8R1.13 CC1CCN1CCF 34a_100000755817_100011217306 [1,0,0,1,0,0|2,0,0]=4 15180 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [1,0,0,1,0,0|1,0,1]=4 15181 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [1,0,0,1,0,0|1,0,1]=4 15182 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [1,0,0,1,0,0|1,0,1]=4 15183 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [1,0,0,1,0,0|1,0,1]=4 15184 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|1,0,0]=3 15185 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,1,0,0|1,0,0]=3 15186 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,1,0,0|1,0,0]=3 15187 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [1,0,0,1,0,0|2,0,0]=4 15188 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [1,0,0,1,0,0|2,0,0]=4 15189 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 15190 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 15191 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 15192 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 15193 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 15194 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 15195 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [1,0,0,1,0,0|2,0,0]=4 15196 B8R1.36 BrCCOCC1CC1 34a_100000211926_100000742324 [1,0,0,1,0,0|2,0,0]=4 15197 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [1,0,0,1,0,0|1,0,1]=4 15198 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [1,0,0,1,0,0|1,0,1]=4 15199 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [1,0,0,1,0,0|1,0,1]=4 15200 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [1,0,0,1,0,0|1,0,1]=4 15201 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [1,0,0,1,0,0|1,0,1]=4 15202 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [1,0,0,1,0,0|1,0,1]=4 15203 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [1,0,0,1,0,0|1,0,1]=4 15204 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [1,0,0,1,0,0|1,0,1]=4 15205 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [1,0,0,1,0,0|1,0,1]=4 15206 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [1,0,0,1,0,0|1,0,1]=4 15207 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [1,0,0,1,0,0|1,0,1]=4 15208 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|1,0,1]=4 15209 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [1,0,0,1,0,0|1,0,1]=4 15210 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [1,0,0,1,0,0|1,0,1]=4 15211 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [1,0,0,1,0,0|1,0,1]=4 15212 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [1,0,0,1,0,0|1,0,1]=4 15213 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [1,0,0,1,0,0|1,0,1]=4 15214 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [1,0,0,1,0,0|1,0,1]=4 15215 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|1,0,1]=4 15216 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|1,0,1]=4 15217 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [1,0,0,1,0,0|1,0,1]=4 15218 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [1,0,0,1,0,0|1,0,1]=4 15219 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|1,0,1]=4 15220 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|1,0,1]=4 15221 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [1,0,0,1,0,0|1,1,0]=4 15222 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [1,0,0,1,0,0|1,1,0]=4 15223 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|1,0,1]=4 15224 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|1,0,1]=4 15225 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|1,0,1]=4 15226 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|1,0,1]=4 15227 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|1,0,1]=4 15228 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 15229 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,1]=4 15230 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 15231 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|1,0,1]=4 15232 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|1,0,1]=4 15233 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|1,0,1]=4 15234 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|1,0,1]=4 15235 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|1,0,1]=4 15236 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|1,0,1]=4 15237 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 15238 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|1,0,1]=4 15239 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 15240 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|1,0,1]=4 15241 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|1,0,1]=4 15242 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|1,0,1]=4 15243 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [1,0,0,1,0,0|2,0,0]=4 15244 B8R1.36 FCCCNC1CC1 34a_100000212008_100011934791 [1,0,0,1,0,0|2,0,0]=4 15245 B8R1.36 FCCCNC1CC1 34a_100015189416_100000211595 [1,0,0,1,0,0|2,0,0]=4 15246 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [1,0,0,1,0,0|2,0,0]=4 15247 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [1,0,0,1,0,0|2,0,0]=4 15248 B8R1.36 FCCNCC1CC1 2230a_100000735609_100011217306 [1,0,0,1,0,0|2,0,0]=4 15249 B8R1.36 FCCNCC1CC1 269862a_100000724931_100000741477 [1,0,0,1,0,0|2,0,0]=4 15250 B8R1.36 FCCNCC1CC1 34a_100000724931_100000742324 [1,0,0,1,0,0|2,0,0]=4 15251 B8R1.36 FCCNCC1CC1 34a_100000735609_100011217306 [1,0,0,1,0,0|2,0,0]=4 15252 B8R1.36 FCCOCC1CC1 34a_100000211283_100011217306 [1,0,0,1,0,0|2,0,0]=4 15253 B8R1.36 FCCSCC1CC1 62a_100000756562_100011217306 [1,0,0,1,0,0|2,0,0]=4 15254 B8R1.36 FCCSCC1CC1 62a_100011217306_100000742324 [1,0,0,1,0,0|2,0,0]=4 15255 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [1,0,0,1,0,0|2,0,0]=4 15256 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 15257 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 15258 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [1,0,0,1,0,0|2,0,0]=4 15259 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [1,0,0,1,0,0|2,0,0]=4 15260 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [1,0,0,1,0,0|2,0,0]=4 15261 B8R1.36 NCCOCC1CC1 34a_100000210304_100000742324 [1,0,0,1,0,0|2,0,0]=4 15262 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [1,0,0,1,0,0|1,0,0]=3 15263 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [1,0,0,1,0,0|1,0,0]=3 15264 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [1,0,0,1,0,0|1,0,0]=3 15265 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [1,0,0,1,0,0|2,0,0]=4 15266 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [1,0,0,1,0,0|1,0,0]=3 15267 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [1,0,0,1,0,0|1,0,0]=3 15268 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [1,0,0,1,0,0|2,0,0]=4 15269 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [1,0,0,1,0,0|2,0,0]=4 15270 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [1,0,0,1,0,0|2,0,0]=4 15271 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [1,0,0,1,0,0|2,0,0]=4 15272 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [1,0,0,1,0,0|2,0,0]=4 15273 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [1,0,0,1,0,0|2,0,0]=4 15274 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [1,0,0,1,0,0|1,0,1]=4 15275 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [1,0,0,1,0,0|1,0,1]=4 15276 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [1,0,0,1,0,0|1,0,1]=4 15277 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [1,0,0,1,0,0|1,0,1]=4 15278 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [1,0,0,1,0,0|1,0,1]=4 15279 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [1,0,0,1,0,0|1,0,1]=4 15280 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [1,0,0,1,0,0|1,0,1]=4 15281 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [1,0,0,1,0,0|1,0,1]=4 15282 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [1,0,0,1,0,0|1,0,1]=4 15283 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [1,0,0,1,0,0|1,0,1]=4 15284 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|1,0,1]=4 15285 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|1,0,1]=4 15286 B10R1.10 C=CCN1CCCC(C1)F 2230a_100000697950_100000210623 [0,1,0,1,0,0|2,0,0]=4 15287 B10R1.10 C=CCN1CCCC(C1)F 269982a_100000697950_100000210623 [0,1,0,1,0,0|2,0,0]=4 15288 B10R1.10 C=CCN1CCCC(C1)F 34a_100000697950_100015514636 [0,1,0,1,0,0|2,0,0]=4 15289 B10R1.10 C=CCN1CCCC(C1)O 2230a_100000211013_100000210623 [0,1,0,1,0,0|2,0,0]=4 15290 B10R1.10 C=CCN1CCCC(C1)O 269982a_100000211013_100000210623 [0,1,0,1,0,0|2,0,0]=4 15291 B10R1.10 C=CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210623 [0,1,0,1,0,0|2,0,0]=4 15292 B10R1.10 C=CCN1CCC[C@@H](C1)C 269982a_100000717927_100000210623 [0,1,0,1,0,0|2,0,0]=4 15293 B10R1.10 C=CCN1CCC[C@@H](C1)C 34a_100000717927_100015514636 [0,1,0,1,0,0|2,0,0]=4 15294 B10R1.10 CC1CN(CCO1)CC=O 2230a_100000729577_200015260668 [0,1,0,1,0,0|2,0,0]=4 15295 B10R1.10 CC1CN(CCO1)CC=O 269982a_100000729577_200015260668 [0,1,0,1,0,0|2,0,0]=4 15296 B10R1.10 CC1CN(CCO1)CC=O 34a_100000729577_200009817547 [0,1,0,1,0,0|2,0,0]=4 15297 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|2,0,0]=4 15298 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|2,0,0]=4 15299 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 15300 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 15301 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,1,0,1,0,0|2,0,0]=4 15302 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|1,0,0]=3 15303 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|2,0,0]=4 15304 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,1,0,1,0,0|2,0,0]=4 15305 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,1,0,1,0,0|1,0,0]=3 15306 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|2,0,0]=4 15307 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,1,0,1,0,0|2,0,0]=4 15308 B10R1.10 C[C@H]1CCCN(C1)CC=O 2230a_100000717927_200015260668 [0,1,0,1,0,0|1,0,0]=3 15309 B10R1.10 C[C@H]1CCCN(C1)CC=O 269982a_100000717927_200015260668 [0,1,0,1,0,0|1,0,0]=3 15310 B10R1.10 C[C@H]1CCCN(C1)CC=O 34a_100000717927_200009817547 [0,1,0,1,0,0|1,0,0]=3 15311 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,1,0,0|2,0,0]=4 15312 B10R1.10 O=CCN1CCCC(C1)F 2230a_100000697950_200015260668 [0,1,0,1,0,0|1,0,0]=3 15313 B10R1.10 O=CCN1CCCC(C1)F 269982a_100000697950_200015260668 [0,1,0,1,0,0|1,0,0]=3 15314 B10R1.10 O=CCN1CCCC(C1)F 34a_100000697950_200009817547 [0,1,0,1,0,0|1,0,0]=3 15315 B10R1.10 O=CCN1CCCC(C1)O 2230a_100000211013_200015260668 [0,1,0,1,0,0|1,0,0]=3 15316 B10R1.10 O=CCN1CCCC(C1)O 269982a_100000211013_200015260668 [0,1,0,1,0,0|1,0,0]=3 15317 B10R1.10 O=CCN1CCOC(C1)O 2230a_100000688207_200015260668 [0,1,0,1,0,0|2,0,0]=4 15318 B10R1.10 O=CCN1CCOC(C1)O 269982a_100000688207_200015260668 [0,1,0,1,0,0|2,0,0]=4 15319 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,1,0,1,0,0|2,0,0]=4 15320 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,1,0,1,0,0|1,0,0]=3 15321 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|2,0,0]=4 15322 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,1,0,1,0,0|2,0,0]=4 15323 B10R1.16 C=CCCN1CCC(C1)O 2230a_100011215560_100000754431 [0,1,0,1,0,0|2,0,0]=4 15324 B10R1.16 C=CCCN1CCC(C1)O 269982a_100011215560_100000754431 [0,1,0,1,0,0|2,0,0]=4 15325 B10R1.16 C=CCCN1CC[C@@H](C1)F 2230a_100015203821_100000754431 [0,1,0,1,0,0|2,0,0]=4 15326 B10R1.16 C=CCCN1CC[C@@H](C1)F 269982a_100015203821_100000754431 [0,1,0,1,0,0|2,0,0]=4 15327 B10R1.16 C=CCCN1CC[C@@H](C1)F 34a_100015203821_100000754431 [0,1,0,1,0,0|2,0,0]=4 15328 B10R1.16 C=CCCN1CC[C@H](C1)C 2230a_100016987628_100000754431 [0,1,0,1,0,0|2,0,0]=4 15329 B10R1.16 C=CCCN1CC[C@H](C1)C 269982a_100016987628_100000754431 [0,1,0,1,0,0|2,0,0]=4 15330 B10R1.16 C=CCCN1CC[C@H](C1)C 34a_100016987628_100000754431 [0,1,0,1,0,0|2,0,0]=4 15331 B10R1.16 C=CCNC1CCC(C1)C 270004a_100020586998_100011215218 [0,1,0,1,0,0|2,0,0]=4 15332 B10R1.16 C=CCNC1CCC(C1)O 270004a_100020586998_100012614533 [0,1,0,1,0,0|2,0,0]=4 15333 B10R1.16 C=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210623 [0,1,0,1,0,0|2,0,0]=4 15334 B10R1.16 C=CCOC1CCC(C1)C 34a_100000698185_100015514636 [0,1,0,1,0,0|2,0,0]=4 15335 B10R1.16 CC1CCC(C1)OCC=O 34a_100000698185_200009817547 [0,1,0,1,0,0|1,0,0]=3 15336 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,1,0,0|2,0,0]=4 15337 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,1,0,0|2,0,0]=4 15338 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|1,0,0]=3 15339 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,1,0,0|2,0,0]=4 15340 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,1,0,0|2,0,0]=4 15341 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,1,0,0|2,0,0]=4 15342 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,1,0,0|2,0,0]=4 15343 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,1,0,0|2,0,0]=4 15344 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,1,0,1,0,0|2,0,0]=4 15345 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,1,0,1,0,0|1,0,0]=3 15346 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,1,0,1,0,0|1,0,0]=3 15347 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,1,0,1,0,0|1,0,0]=3 15348 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,1,0,0|2,0,0]=4 15349 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,1,0,1,0,0|1,0,0]=3 15350 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,1,0,0|2,0,0]=4 15351 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,1,0,0|2,0,0]=4 15352 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,1,0,0|2,0,0]=4 15353 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,1,0,0|2,0,0]=4 15354 B10R1.16 CCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210202 [0,1,0,1,0,0|2,0,0]=4 15355 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,1,0,0|2,0,0]=4 15356 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,1,0,0|2,0,0]=4 15357 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,1,0,0|2,0,0]=4 15358 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,1,0,0|2,0,0]=4 15359 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,1,0,0|2,0,0]=4 15360 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,1,0,0|1,0,0]=3 15361 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,1,0,0|1,0,0]=3 15362 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,1,0,0|2,0,0]=4 15363 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,1,0,0|2,0,0]=4 15364 B10R1.16 CN1CCC(C1)SCC=O 62a_200015260668_200012183744 [0,1,0,1,0,0|2,0,0]=4 15365 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,1,0,1,0,0|2,0,0]=4 15366 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,1,0,1,0,0|2,0,0]=4 15367 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,1,0,1,0,0|2,0,0]=4 15368 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,1,0,1,0,0|2,0,0]=4 15369 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,1,0,1,0,0|2,0,0]=4 15370 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,1,0,1,0,0|2,0,0]=4 15371 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,1,0,1,0,0|2,0,0]=4 15372 B10R1.16 O=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_200015260668 [0,1,0,1,0,0|1,0,0]=3 15373 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [0,1,0,1,0,0|1,0,1]=4 15374 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,1,0,1,0,0|0,0,2]=4 15375 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,1,0,1,0,0|0,0,2]=4 15376 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,1,0,0|0,0,0]=2 15377 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,1,0,0|0,0,0]=2 15378 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|1,0,0]=3 15379 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|1,0,0]=3 15380 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|1,0,0]=3 15381 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|1,0,0]=3 15382 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,1,0,0|1,0,0]=3 15383 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,1,0,0|1,0,0]=3 15384 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,1,0,1,0,0|1,0,0]=3 15385 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [0,1,0,1,0,0|2,0,0]=4 15386 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,1,0,1,0,0|1,0,0]=3 15387 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,1,0,1,0,0|1,0,0]=3 15388 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,1,0,1,0,0|1,0,0]=3 15389 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,1,0,1,0,0|1,0,0]=3 15390 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 15391 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 15392 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 15393 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,1,0,1,0,0|2,0,0]=4 15394 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,1,0,1,0,0|2,0,0]=4 15395 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,1,0,1,0,0|2,0,0]=4 15396 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,1,0,1,0,0|2,0,0]=4 15397 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,1,0,1,0,0|2,0,0]=4 15398 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,1,0,1,0,0|2,0,0]=4 15399 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,1,0,1,0,0|2,0,0]=4 15400 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,1,0,1,0,0|2,0,0]=4 15401 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,1,0,1,0,0|2,0,0]=4 15402 B10R1.18 CC(C)NC1C=CCCC1 2230a_100138425928_100000751183 [0,1,0,1,0,0|2,0,0]=4 15403 B10R1.18 CC(C)OC1C=CCCC1 34a_100011215024_100000210206 [0,1,0,1,0,0|2,0,0]=4 15404 B10R1.18 CC(C)SC1C=CCCC1 62a_100000210206_100000751183 [0,1,0,1,0,0|2,0,0]=4 15405 B10R1.18 CC(C)SC1C=CCCC1 62a_100000751183_100000210206 [0,1,0,1,0,0|2,0,0]=4 15406 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 15407 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [0,1,0,1,0,0|2,0,0]=4 15408 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 15409 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [0,1,0,1,0,0|2,0,0]=4 15410 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 15411 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 15412 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 15413 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 15414 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [0,1,0,1,0,0|2,0,0]=4 15415 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [0,1,0,1,0,0|2,0,0]=4 15416 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [0,1,0,1,0,0|2,0,0]=4 15417 B10R1.18 NC(=O)CN1CCOCC1 2230a_100015191051_100000747473 [0,1,0,1,0,0|2,0,0]=4 15418 B10R1.18 NC(=O)CN1CCOCC1 269982a_100015191051_100000187820 [0,1,0,1,0,0|2,0,0]=4 15419 B10R1.18 NC(=O)CN1CCOCC1 34a_100015191051_100000187820 [0,1,0,1,0,0|2,0,0]=4 15420 B10R1.18 NC(=O)CN1CCSCC1 2230a_100000737611_100000747473 [0,1,0,1,0,0|2,0,0]=4 15421 B10R1.18 NC(=O)CN1CCSCC1 269982a_100000737611_100000187820 [0,1,0,1,0,0|2,0,0]=4 15422 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [0,1,0,1,0,0|2,0,0]=4 15423 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [0,1,0,1,0,0|2,0,0]=4 15424 B10R1.18 O=C([O-])CN1CCOCC1 269982a_100015191051_100020667443 [0,1,0,1,0,0|2,0,0]=4 15425 B10R1.18 O=C([O-])CN1CCOCC1 34a_100015191051_100020667443 [0,1,0,1,0,0|2,0,0]=4 15426 B10R1.18 O=C([O-])CN1CCSCC1 269982a_100000737611_100020667443 [0,1,0,1,0,0|2,0,0]=4 15427 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,1,0,1,0,0|0,0,2]=4 15428 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,1,0,1,0,0|0,0,2]=4 15429 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,1,0,0|0,0,0]=2 15430 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|1,0,0]=3 15431 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|1,0,0]=3 15432 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,1,0,0|1,0,0]=3 15433 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,1,0,1,0,0|1,0,0]=3 15434 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [0,1,0,1,0,0|2,0,0]=4 15435 B10R1.24 C=C1CC(C1)CNCC=O 2230a_100102567296_200015260668 [0,1,0,1,0,0|1,0,1]=4 15436 B10R1.24 C=C1CC(C1)CNCC=O 34a_100102567296_200009817547 [0,1,0,1,0,0|1,0,1]=4 15437 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [0,1,0,1,0,0|2,0,0]=4 15438 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [0,1,0,1,0,0|2,0,0]=4 15439 B10R1.24 C=C1CC(C1)COCC=O 34a_100011011225_200009817547 [0,1,0,1,0,0|1,0,1]=4 15440 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [0,1,0,1,0,0|2,0,0]=4 15441 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [0,1,0,1,0,0|2,0,0]=4 15442 B10R1.24 C=CCCCN1CC(C1)C 2230a_100000702820_100011713584 [0,1,0,1,0,0|2,0,0]=4 15443 B10R1.24 C=CCCCN1CC(C1)C 269982a_100000702820_100000757094 [0,1,0,1,0,0|2,0,0]=4 15444 B10R1.24 C=CCCCN1CC(C1)C 34a_100000702820_100000757094 [0,1,0,1,0,0|2,0,0]=4 15445 B10R1.24 C=CCCCN1CC(C1)F 2230a_100000690557_100011713584 [0,1,0,1,0,0|2,0,0]=4 15446 B10R1.24 C=CCCCN1CC(C1)F 269982a_100000690557_100000757094 [0,1,0,1,0,0|2,0,0]=4 15447 B10R1.24 C=CCCCN1CC(C1)F 34a_100000690557_100000757094 [0,1,0,1,0,0|2,0,0]=4 15448 B10R1.24 C=CCCCN1CC(C1)O 269982a_100000749847_100000757094 [0,1,0,1,0,0|2,0,0]=4 15449 B10R1.24 C=CCCNC1CC(C1)F 2230a_100016993743_100000754431 [0,1,0,1,0,0|2,0,0]=4 15450 B10R1.24 C=CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000754431 [0,1,0,1,0,0|2,0,0]=4 15451 B10R1.24 C=CCNCC1CC(C1)O 2230a_100016992100_100000210623 [0,1,0,1,0,0|2,0,0]=4 15452 B10R1.24 C=CCOCC1CC(C1)Cl 34a_100009874164_100015514636 [0,1,0,1,0,0|2,0,0]=4 15453 B10R1.24 CC1CN(C1)CCCC=O 2230a_100000702820_200011292268 [0,1,0,1,0,0|1,0,0]=3 15454 B10R1.24 CC1CN(C1)CCCC=O 269982a_100000702820_200011292268 [0,1,0,1,0,0|1,0,0]=3 15455 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,1,0,1,0,0|1,0,0]=3 15456 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,1,0,1,0,0|1,0,0]=3 15457 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,1,0,1,0,0|1,0,0]=3 15458 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,1,0,1,0,0|1,0,0]=3 15459 B10R1.24 CCOCSC1CC(=O)C1 62a_100009894365_100000739092 [0,1,0,1,0,0|2,0,0]=4 15460 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [0,1,0,1,0,0|2,0,0]=4 15461 B10R1.24 COCSCC1CC(=O)C1 62a_100000766300_100009874392 [0,1,0,1,0,0|2,0,0]=4 15462 B10R1.24 COCSCC1CC(=O)C1 62a_100009874392_100000766300 [0,1,0,1,0,0|2,0,0]=4 15463 B10R1.24 CSCCSC1CC(=O)C1 62a_100009894365_100000751147 [0,1,0,1,0,0|2,0,0]=4 15464 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [0,1,0,1,0,0|2,0,0]=4 15465 B10R1.24 CSCSCC1CC(=O)C1 62a_100009874392_100011218213 [0,1,0,1,0,0|2,0,0]=4 15466 B10R1.24 CSCSCC1CC(=O)C1 62a_100011218213_100009874392 [0,1,0,1,0,0|2,0,0]=4 15467 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [0,1,0,1,0,0|2,0,0]=4 15468 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [0,1,0,1,0,0|2,0,0]=4 15469 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [0,1,0,1,0,0|2,0,0]=4 15470 B10R1.24 O=C1CC(C1)CSCCF 62a_100009874392_100011217306 [0,1,0,1,0,0|2,0,0]=4 15471 B10R1.24 O=C1CC(C1)CSCCF 62a_100011217306_100009874392 [0,1,0,1,0,0|2,0,0]=4 15472 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [0,1,0,1,0,0|2,0,0]=4 15473 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [0,1,0,1,0,0|2,0,0]=4 15474 B10R1.24 O=C1CC(C1)SCCCF 62a_100009894365_100011934791 [0,1,0,1,0,0|2,0,0]=4 15475 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [0,1,0,1,0,0|2,0,0]=4 15476 B10R1.24 O=CCCCN1CC(C1)F 2230a_100000690557_200011292268 [0,1,0,1,0,0|1,0,0]=3 15477 B10R1.24 O=CCCCN1CC(C1)F 269982a_100000690557_200011292268 [0,1,0,1,0,0|1,0,0]=3 15478 B10R1.24 O=CCCCN1CC(C1)O 269982a_100000749847_200011292268 [0,1,0,1,0,0|1,0,0]=3 15479 B10R1.24 O=CCNCC1CC(C1)O 2230a_100016992100_200015260668 [0,1,0,1,0,0|1,0,0]=3 15480 B10R1.24 O=CCOCC1CC(=O)C1 34a_100000101936_200009817547 [0,1,0,1,0,0|1,0,1]=4 15481 B10R1.24 O=CCOCC1CC(C1)Cl 34a_100009874164_200009817547 [0,1,0,1,0,0|1,0,0]=3 15482 B10R1.24 O=CCSCC1CC(=O)C1 62a_100009874392_200015260668 [0,1,0,1,0,0|1,0,1]=4 15483 B10R1.24 O=CCSCC1CC(=O)C1 62a_200015260668_100009874392 [0,1,0,1,0,0|1,0,1]=4 15484 B10R1.38 CNC1CCCCC1(C)C 269862a_106832991636_100000031690 [0,1,0,1,0,0|2,0,0]=4 15485 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,1,0,1,0,0|2,0,0]=4 15486 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,1,0,1,0,0|2,0,0]=4 15487 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [0,1,0,1,0,0|2,0,0]=4 15488 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,1,0,1,0,0|1,0,0]=3 15489 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,1,0,1,0,0|1,0,0]=3 15490 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,1,0,1,0,0|1,0,0]=3 15491 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,1,0,1,0,0|1,0,0]=3 15492 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,1,0,1,0,0|1,0,0]=3 15493 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,1,0,1,0,0|1,0,0]=3 15494 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,1,0,1,0,0|1,0,0]=3 15495 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,1,0,1,0,0|1,0,0]=3 15496 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,1,0,1,0,0|2,0,0]=4 15497 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,1,0,1,0,0|2,0,0]=4 15498 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,1,0,1,0,0|2,0,0]=4 15499 B10R1.56 C#CCCOCC1CC1C 34a_100000744939_100000688953 [0,1,0,1,0,0|1,0,1]=4 15500 B10R1.56 C#CCCOCC1CC1C 7a_100000744939_100000688953 [0,1,0,1,0,0|1,0,1]=4 15501 B10R1.56 C/C=C/COCC1CC1C 34a_100000744939_100102629194 [0,1,0,1,0,0|1,0,1]=4 15502 B10R1.56 C/C=C/COCC1CC1C 7a_100000744939_100102629194 [0,1,0,1,0,0|1,0,1]=4 15503 B10R1.56 C=CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011713584 [0,1,0,1,0,0|2,0,0]=4 15504 B10R1.56 C=CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011713584 [0,1,0,1,0,0|2,0,0]=4 15505 B10R1.56 C=CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000757094 [0,1,0,1,0,0|2,0,0]=4 15506 B10R1.56 C=CCCOCC1CC1C 34a_100000744939_100000754431 [0,1,0,1,0,0|1,0,0]=3 15507 B10R1.56 C=CCCOCC1CC1C 7a_100000744939_100000754431 [0,1,0,1,0,0|1,0,0]=3 15508 B10R1.56 CC1CC1COCCC#N 7a_100000744939_100000184422 [0,1,0,1,0,0|1,0,1]=4 15509 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [0,1,0,1,0,0|1,0,1]=4 15510 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [0,1,0,1,0,0|1,0,1]=4 15511 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,1,0,1,0,0|0,0,2]=4 15512 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,1,0,1,0,0|0,0,2]=4 15513 B10R1.56 CC=CCOCC1CC1C 34a_100000744939_100000070051 [0,1,0,1,0,0|1,0,1]=4 15514 B10R1.56 CC=CCOCC1CC1C 7a_100000744939_100000070051 [0,1,0,1,0,0|1,0,1]=4 15515 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,1,0,1,0,0|1,0,1]=4 15516 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,1,0,1,0,0|1,0,1]=4 15517 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,1,0,1,0,0|1,0,1]=4 15518 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,1,0,1,0,0|1,0,1]=4 15519 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,1,0,1,0,0|1,0,1]=4 15520 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [0,1,0,1,0,0|2,0,0]=4 15521 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [0,1,0,1,0,0|2,0,0]=4 15522 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [0,1,0,1,0,0|2,0,0]=4 15523 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [0,1,0,1,0,0|2,0,0]=4 15524 B10R1.56 O=CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200011292268 [0,1,0,1,0,0|1,0,0]=3 15525 B10R1.56 O=CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200011292268 [0,1,0,1,0,0|1,0,0]=3 15526 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|0,0,1]=3 15527 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|0,0,0]=2 15528 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,1,0,0|1,0,0]=3 15529 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|1,0,1]=4 15530 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|1,0,1]=4 15531 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,1,0,0|1,0,1]=4 15532 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,1,0,0|1,0,0]=3 15533 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,1,0,0|1,0,0]=3 15534 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,1,0,0|1,0,0]=3 15535 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,1,0,0|1,0,0]=3 15536 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,1,0,1,0,0|2,0,0]=4 15537 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,1,0,1,0,0|2,0,0]=4 15538 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,1,0,1,0,0|2,0,0]=4 15539 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,1,0,0|1,0,0]=3 15540 B10R1.61 CC(C)C1CCCCN1C 2230a_100000757267_200000210301 [0,1,0,1,0,0|2,0,0]=4 15541 B10R1.61 CC(C)C1CCCCN1C 269982a_100000757267_200000210301 [0,1,0,1,0,0|2,0,0]=4 15542 B10R1.61 CC(C)C1CCCCN1C 34a_100000757267_200000210301 [0,1,0,1,0,0|2,0,0]=4 15543 B10R1.61 CC(C)C1CCCCN1[13CH3] 2230a_100000757267_200025704644 [0,1,0,1,0,0|2,0,0]=4 15544 B10R1.61 CC(C)C1CCCCN1[13CH3] 269982a_100000757267_200025704644 [0,1,0,1,0,0|2,0,0]=4 15545 B10R1.61 CC(C)C1CCCCN1[13CH3] 34a_100000757267_200025704644 [0,1,0,1,0,0|2,0,0]=4 15546 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|0,0,0]=2 15547 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [0,1,0,1,0,0|2,0,0]=4 15548 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,1,0,1,0,0|1,0,0]=3 15549 B10R1.61 CN(C)C1CCCNC1=O 2230a_100102631434_100000687798 [0,1,0,1,0,0|2,0,0]=4 15550 B10R1.61 CN(C)C1CCCNC1=O 269982a_100102631434_100000687798 [0,1,0,1,0,0|2,0,0]=4 15551 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 15552 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 15553 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 15554 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,1,0,0|1,0,0]=3 15555 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,1,0,0|1,0,0]=3 15556 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,1,0,0|2,0,0]=4 15557 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,1,0,0|2,0,0]=4 15558 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,1,0,0|2,0,0]=4 15559 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,1,0,0|1,0,0]=3 15560 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|1,0,1]=4 15561 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 15562 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 15563 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 15564 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,1,0,0|1,0,0]=3 15565 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,1,0,0|2,0,0]=4 15566 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,1,0,0|2,0,0]=4 15567 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,1,0,0|2,0,0]=4 15568 B10R1.64 C=C(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748629 [0,1,0,1,0,0|2,0,0]=4 15569 B10R1.64 C=C(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748629 [0,1,0,1,0,0|2,0,0]=4 15570 B10R1.64 C=C(C)CN1CCC[C@H]1C 2230a_100015189458_100000748629 [0,1,0,1,0,0|2,0,0]=4 15571 B10R1.64 C=C(C)CN1CCC[C@H]1C 269982a_100015189458_100000748629 [0,1,0,1,0,0|2,0,0]=4 15572 B10R1.64 C=C(C)CN1CCC[C@H]1C 34a_100015189458_100000748629 [0,1,0,1,0,0|2,0,0]=4 15573 B10R1.64 C=C(F)CN1CCC[C@@H]1C 2230a_100020605311_100009893438 [0,1,0,1,0,0|2,0,0]=4 15574 B10R1.64 C=C(F)CN1CCC[C@@H]1C 269982a_100020605311_100009893438 [0,1,0,1,0,0|2,0,0]=4 15575 B10R1.64 C=C(F)CN1CCC[C@H]1C 2230a_100015189458_100009893438 [0,1,0,1,0,0|2,0,0]=4 15576 B10R1.64 C=C(F)CN1CCC[C@H]1C 269982a_100015189458_100009893438 [0,1,0,1,0,0|2,0,0]=4 15577 B10R1.64 C=C(F)CN1CCC[C@H]1C 34a_100015189458_100009893438 [0,1,0,1,0,0|2,0,0]=4 15578 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,1,0,1,0,0|1,0,1]=4 15579 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,1,0,0|2,0,0]=4 15580 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,1,0,0|2,0,0]=4 15581 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [0,1,0,1,0,0|2,0,0]=4 15582 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [0,1,0,1,0,0|2,0,0]=4 15583 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [0,1,0,1,0,0|2,0,0]=4 15584 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [0,1,0,1,0,0|2,0,0]=4 15585 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [0,1,0,1,0,0|2,0,0]=4 15586 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [0,1,0,1,0,0|2,0,0]=4 15587 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [0,1,0,1,0,0|1,0,0]=3 15588 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [0,1,0,1,0,0|1,0,0]=3 15589 B10R1.64 CC(C)NC1CCNC1=O 2230a_100016995588_100000210206 [0,1,0,1,0,0|2,0,0]=4 15590 B10R1.64 CC(C)NC1CCNC1=O 34a_100016995588_100000210206 [0,1,0,1,0,0|2,0,0]=4 15591 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,1,0,1,0,0|2,0,0]=4 15592 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,1,0,1,0,0|2,0,0]=4 15593 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [0,1,0,1,0,0|1,0,0]=3 15594 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [0,1,0,1,0,0|1,0,0]=3 15595 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,1,0,1,0,0|2,0,0]=4 15596 B10R1.64 CC(C)O[C@H]1CCNC1=O 34a_100000688343_100000210206 [0,1,0,1,0,0|2,0,0]=4 15597 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [0,1,0,1,0,0|1,0,0]=3 15598 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [0,1,0,1,0,0|1,0,0]=3 15599 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,1,0,1,0,0|2,0,0]=4 15600 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,1,0,1,0,0|2,0,0]=4 15601 B10R1.64 CC1SCCN1CC(=O)N 2230a_200011216479_100000747473 [0,1,0,1,0,0|2,0,0]=4 15602 B10R1.64 CC1SCCN1CC(=O)N 269982a_200011216479_100000187820 [0,1,0,1,0,0|2,0,0]=4 15603 B10R1.64 CC1SCCN1CC(=O)N 34a_200011216479_100000187820 [0,1,0,1,0,0|2,0,0]=4 15604 B10R1.64 CC1SCCN1CC(=O)[O-] 269982a_200011216479_100020667443 [0,1,0,1,0,0|2,0,0]=4 15605 B10R1.64 CC1SCCN1CC(=O)[O-] 34a_200011216479_100020667443 [0,1,0,1,0,0|2,0,0]=4 15606 B10R1.64 CN(C)CN1CCCC1=O 269982a_100102631434_100000026320 [0,1,0,1,0,0|2,0,0]=4 15607 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [0,1,0,1,0,0|1,0,0]=3 15608 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [0,1,0,1,0,0|1,0,0]=3 15609 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [0,1,0,1,0,0|1,0,0]=3 15610 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [0,1,0,1,0,0|1,0,0]=3 15611 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [0,1,0,1,0,0|1,0,0]=3 15612 B10R1.64 C[C@@H]1CCCN1C[N+](=O)[O-] 269982a_100015189458_100000761209 [0,1,0,1,0,0|2,0,0]=4 15613 B10R1.64 C[C@@H]1CCCN1C[N+](=O)[O-] 34a_100015189458_100000761209 [0,1,0,1,0,0|2,0,0]=4 15614 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [0,1,0,1,0,0|1,0,0]=3 15615 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [0,1,0,1,0,0|1,0,0]=3 15616 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [0,1,0,1,0,0|1,0,0]=3 15617 B10R1.64 C[C@H]1CCCN1C[N+](=O)[O-] 269982a_100020605311_100000761209 [0,1,0,1,0,0|2,0,0]=4 15618 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,1,0,1,0,0|1,0,1]=4 15619 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [0,1,0,1,0,0|2,0,0]=4 15620 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [0,1,0,1,0,0|2,0,0]=4 15621 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [0,1,0,1,0,0|2,0,0]=4 15622 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [0,1,0,1,0,0|2,0,0]=4 15623 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [0,1,0,1,0,0|2,0,0]=4 15624 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [0,1,0,1,0,0|2,0,0]=4 15625 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [0,1,0,1,0,0|2,0,0]=4 15626 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [0,1,0,1,0,0|2,0,0]=4 15627 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [0,1,0,1,0,0|2,0,0]=4 15628 B10R1.66 C=C(F)CNC1CCCC1 2230a_100000211070_100009893438 [0,1,0,1,0,0|2,0,0]=4 15629 B10R1.66 C=C(F)CNC1CCCC1 34a_100000211070_100009893438 [0,1,0,1,0,0|2,0,0]=4 15630 B10R1.66 C=C(F)COC1CCCC1 34a_100000210269_100009893438 [0,1,0,1,0,0|2,0,0]=4 15631 B10R1.66 C=C(F)COC1CCCC1 34a_200010262243_100000179811 [0,1,0,1,0,0|2,0,0]=4 15632 B10R1.66 C=C(F)COC1CCCC1 7a_100000210269_100000042424 [0,1,0,1,0,0|2,0,0]=4 15633 B10R1.66 C=C(F)CSC1CCCC1 62a_100000042424_100000179811 [0,1,0,1,0,0|2,0,0]=4 15634 B10R1.66 C=C(F)CSC1CCCC1 62a_100011217020_100000042424 [0,1,0,1,0,0|2,0,0]=4 15635 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,1,0,1,0,0|0,0,0]=2 15636 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,1,0,1,0,0|0,0,0]=2 15637 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|1,0,0]=3 15638 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,1,0,1,0,0|2,0,0]=4 15639 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,1,0,1,0,0|2,0,0]=4 15640 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,1,0,1,0,0|1,0,0]=3 15641 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,1,0,1,0,0|1,0,0]=3 15642 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,1,0,1,0,0|1,0,0]=3 15643 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,1,0,1,0,0|2,0,0]=4 15644 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [0,1,0,1,0,0|2,0,0]=4 15645 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,1,0,1,0,0|1,0,0]=3 15646 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,1,0,1,0,0|1,0,0]=3 15647 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,1,0,1,0,0|2,0,0]=4 15648 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,1,0,1,0,0|1,0,0]=3 15649 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,1,0,1,0,0|1,0,0]=3 15650 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,1,0,1,0,0|1,0,0]=3 15651 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,1,0,1,0,0|1,0,0]=3 15652 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,1,0,1,0,0|2,0,0]=4 15653 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,1,0,1,0,0|2,0,0]=4 15654 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,1,0,1,0,0|2,0,0]=4 15655 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,1,0,1,0,0|2,0,0]=4 15656 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 15657 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 15658 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 15659 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,1,0,1,0,0|2,0,0]=4 15660 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,1,0,1,0,0|2,0,0]=4 15661 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,1,0,1,0,0|2,0,0]=4 15662 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [0,1,0,1,0,0|2,0,0]=4 15663 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [0,1,0,1,0,0|2,0,0]=4 15664 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [0,1,0,1,0,0|1,0,0]=3 15665 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [0,1,0,1,0,0|1,0,0]=3 15666 B10R1.66 NC(=O)CCN1CCSC1 2230a_100011215254_100000744528 [0,1,0,1,0,0|2,0,0]=4 15667 B10R1.66 NC(=O)CCN1CCSC1 269982a_100011215254_100000744528 [0,1,0,1,0,0|2,0,0]=4 15668 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,1,0,1,0,0|1,0,0]=3 15669 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,1,0,1,0,0|1,0,0]=3 15670 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,1,0,1,0,0|1,0,0]=3 15671 B10R1.66 NC(=O)CNC1CCOC1 2230a_100000711301_100000731011 [0,1,0,1,0,0|2,0,0]=4 15672 B10R1.66 NC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747473 [0,1,0,1,0,0|2,0,0]=4 15673 B10R1.66 NC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747473 [0,1,0,1,0,0|2,0,0]=4 15674 B10R1.66 NC(=O)CN[C@H]1CCOC1 34a_100015188467_100000187820 [0,1,0,1,0,0|2,0,0]=4 15675 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,1,0,1,0,0|1,0,0]=3 15676 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,1,0,1,0,0|1,0,0]=3 15677 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,1,0,1,0,0|2,0,0]=4 15678 B10R1.66 NC(=O)COC1CCSC1 7a_100011232664_100000187820 [0,1,0,1,0,0|2,0,0]=4 15679 B10R1.66 NC(=O)CO[C@H]1CCOC1 34a_100000717292_100000187820 [0,1,0,1,0,0|2,0,0]=4 15680 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,1,0,1,0,0|1,0,0]=3 15681 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,1,0,1,0,0|1,0,0]=3 15682 B10R1.66 NC(=O)CSC1CCOC1 62a_100000747473_100000690089 [0,1,0,1,0,0|2,0,0]=4 15683 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,1,0,1,0,0|1,0,0]=3 15684 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,1,0,1,0,0|2,0,0]=4 15685 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,1,0,1,0,0|1,0,0]=3 15686 B10R1.66 O=C([O-])CN[C@H]1CCOC1 34a_100015188467_100020667443 [0,1,0,1,0,0|2,0,0]=4 15687 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,1,0,1,0,0|1,0,0]=3 15688 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,1,0,1,0,0|2,0,0]=4 15689 B10R1.66 O=C([O-])CO[C@H]1CCOC1 34a_100000717292_100020667443 [0,1,0,1,0,0|2,0,0]=4 15690 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,1,0,1,0,0|1,0,0]=3 15691 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,1,0,1,0,0|1,0,0]=3 15692 B10R1.66 O=C([O-])CSC1CCOC1 62a_100020667443_100000690089 [0,1,0,1,0,0|2,0,0]=4 15693 B10R1.66 O=[N+]([O-])CNC1CCCC1 34a_100000211070_100000761209 [0,1,0,1,0,0|2,0,0]=4 15694 B10R1.66 O=[N+]([O-])COC1CCCC1 34a_100000210269_100000761209 [0,1,0,1,0,0|2,0,0]=4 15695 B10R1.66 O=[N+]([O-])CSC1CCCC1 62a_100011217020_100000761209 [0,1,0,1,0,0|2,0,0]=4 15696 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,1,0,1,0,0|0,0,0]=2 15697 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|1,0,0]=3 15698 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,1,0,1,0,0|2,0,0]=4 15699 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,1,0,1,0,0|1,0,0]=3 15700 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,1,0,1,0,0|2,0,0]=4 15701 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,1,0,1,0,0|1,0,0]=3 15702 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [0,1,0,1,0,0|2,0,0]=4 15703 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [0,1,0,1,0,0|2,0,0]=4 15704 B10R1.73 C=C(F)COCC1CC1C 34a_100000744939_100009893438 [0,1,0,1,0,0|2,0,0]=4 15705 B10R1.73 C=C(F)COCC1CC1C 7a_100000744939_100000042424 [0,1,0,1,0,0|2,0,0]=4 15706 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,1,0,1,0,0|1,0,0]=3 15707 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,1,0,1,0,0|1,0,0]=3 15708 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,1,0,1,0,0|1,0,0]=3 15709 B10R1.73 CC1CC1COC[N+](=O)[O-] 34a_100000744939_100000761209 [0,1,0,1,0,0|2,0,0]=4 15710 B10R1.73 NC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000744528 [0,1,0,1,0,0|2,0,0]=4 15711 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000744528 [0,1,0,1,0,0|2,0,0]=4 15712 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000731001 [0,1,0,1,0,0|2,0,0]=4 15713 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,1,0,1,0,0|1,0,1]=4 15714 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,1,0,1,0,0|1,0,1]=4 15715 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,1,0,1,0,0|1,0,1]=4 15716 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,1,0,1,0,0|1,0,1]=4 15717 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,1,0,1,0,0|1,0,1]=4 15718 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,1,0,1,0,0|1,0,1]=4 15719 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|1,0,0]=3 15720 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 15721 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 15722 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 15723 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [0,1,0,1,0,0|2,0,0]=4 15724 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [0,1,0,1,0,0|2,0,0]=4 15725 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,1,0,1,0,0|2,0,0]=4 15726 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [0,1,0,1,0,0|2,0,0]=4 15727 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,1,0,1,0,0|2,0,0]=4 15728 B10R1.117 C=C(C)CCN1CCC1C 269982a_100000755817_100000730704 [0,1,0,1,0,0|2,0,0]=4 15729 B10R1.117 C=C(C)CCN1CCC1C 34a_100000755817_100000730704 [0,1,0,1,0,0|2,0,0]=4 15730 B10R1.117 C=C(C)COC1CCC1=O 34a_100000210245_100009892977 [0,1,0,1,0,0|1,0,1]=4 15731 B10R1.117 C=C(C)CSC1CCC1=O 62a_100000748629_100009892977 [0,1,0,1,0,0|1,0,1]=4 15732 B10R1.117 C=C(C)CSC1CCC1=O 62a_100009892977_100000211660 [0,1,0,1,0,0|1,0,1]=4 15733 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,1,0,0|0,0,1]=3 15734 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,1,0,0|1,0,0]=3 15735 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,1,0,1,0,0|1,0,1]=4 15736 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,1,0,1,0,0|2,0,0]=4 15737 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,1,0,1,0,0|2,0,0]=4 15738 B10R1.117 CC(Br)COC1CCC1=O 34a_100012180447_100009892977 [0,1,0,1,0,0|1,0,0]=3 15739 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,1,0,1,0,0|1,0,0]=3 15740 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,1,0,1,0,0|1,0,0]=3 15741 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,1,0,1,0,0|1,0,0]=3 15742 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,1,0,1,0,0|1,0,0]=3 15743 B10R1.117 CC(F)COC1CCC1=O 34a_100015925927_100009892977 [0,1,0,1,0,0|1,0,0]=3 15744 B10R1.117 CC(O)CNC1CCC1=O 34a_100000210904_100009892977 [0,1,0,1,0,0|1,0,0]=3 15745 B10R1.117 CC(O)CSC1CCC1=O 62a_100009892977_100011218427 [0,1,0,1,0,0|1,0,0]=3 15746 B10R1.117 CC(O)CSC1CCC1=O 62a_100011218427_100009892977 [0,1,0,1,0,0|1,0,0]=3 15747 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [0,1,0,1,0,0|1,0,0]=3 15748 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [0,1,0,1,0,0|1,0,0]=3 15749 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,1,0,1,0,0|1,0,0]=3 15750 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,1,0,1,0,0|1,0,0]=3 15751 B10R1.117 C[C@@H](Cl)COC1CCC1=O 34a_100016084084_100009892977 [0,1,0,1,0,0|1,0,0]=3 15752 B10R1.117 C[C@@H](N)COC1CCC1=O 34a_100000737577_100009892977 [0,1,0,1,0,0|1,0,0]=3 15753 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009817552_100009892977 [0,1,0,1,0,0|1,0,0]=3 15754 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009892977_100009817552 [0,1,0,1,0,0|1,0,0]=3 15755 B10R1.117 O=C1CCC1NCC(F)F 34a_100000765723_100009892977 [0,1,0,1,0,0|2,0,0]=4 15756 B10R1.117 O=C1CCC1OCC(F)F 34a_100000743014_100009892977 [0,1,0,1,0,0|2,0,0]=4 15757 B10R1.117 O=C1CCC1SCC(F)F 62a_100009892977_100011934356 [0,1,0,1,0,0|2,0,0]=4 15758 B10R1.117 O=C1CCC1SCC(F)F 62a_100011934356_100009892977 [0,1,0,1,0,0|2,0,0]=4 15759 B10R1.126 C=C(Br)CCOCC1CC1 34a_100009813270_100000742324 [0,1,0,1,0,0|2,0,0]=4 15760 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [0,1,0,1,0,0|2,0,0]=4 15761 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [0,1,0,1,0,0|2,0,0]=4 15762 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [0,1,0,1,0,0|2,0,0]=4 15763 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [0,1,0,1,0,0|2,0,0]=4 15764 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [0,1,0,1,0,0|2,0,0]=4 15765 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [0,1,0,1,0,0|2,0,0]=4 15766 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [0,1,0,1,0,0|2,0,0]=4 15767 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [0,1,0,1,0,0|2,0,0]=4 15768 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [0,1,0,1,0,0|2,0,0]=4 15769 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [0,1,0,1,0,0|2,0,0]=4 15770 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [0,1,0,1,0,0|2,0,0]=4 15771 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [0,1,0,1,0,0|2,0,0]=4 15772 B10R1.126 C=C(F)CNCCC1CC1 34a_100000764129_100009893438 [0,1,0,1,0,0|2,0,0]=4 15773 B10R1.126 C=C(F)COCCC1CC1 34a_100000754188_100009893438 [0,1,0,1,0,0|2,0,0]=4 15774 B10R1.126 C=C(F)COCCC1CC1 34a_200010262243_100000694398 [0,1,0,1,0,0|2,0,0]=4 15775 B10R1.126 C=C(F)COCCC1CC1 7a_100000754188_100000042424 [0,1,0,1,0,0|2,0,0]=4 15776 B10R1.126 C=C(F)CSCCC1CC1 62a_100000042424_100000764125 [0,1,0,1,0,0|2,0,0]=4 15777 B10R1.126 C=C(F)CSCCC1CC1 62a_100000764125_100000042424 [0,1,0,1,0,0|2,0,0]=4 15778 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,1,0,1,0,0|1,0,0]=3 15779 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,1,0,1,0,0|1,0,0]=3 15780 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,1,0,1,0,0|1,0,0]=3 15781 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,1,0,1,0,0|1,0,0]=3 15782 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,1,0,1,0,0|1,0,0]=3 15783 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,1,0,1,0,0|2,0,0]=4 15784 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,1,0,1,0,0|2,0,0]=4 15785 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [0,1,0,1,0,0|2,0,0]=4 15786 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,1,0,1,0,0|2,0,0]=4 15787 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,1,0,1,0,0|1,0,0]=3 15788 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,1,0,1,0,0|1,0,0]=3 15789 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,1,0,1,0,0|2,0,0]=4 15790 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,1,0,1,0,0|2,0,0]=4 15791 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [0,1,0,1,0,0|2,0,0]=4 15792 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [0,1,0,1,0,0|2,0,0]=4 15793 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,1,0,1,0,0|2,0,0]=4 15794 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,1,0,1,0,0|2,0,0]=4 15795 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,1,0,1,0,0|1,0,0]=3 15796 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,1,0,1,0,0|2,0,0]=4 15797 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,1,0,1,0,0|2,0,0]=4 15798 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,1,0,1,0,0|2,0,0]=4 15799 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,1,0,1,0,0|2,0,0]=4 15800 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,1,0,1,0,0|2,0,0]=4 15801 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,1,0,1,0,0|2,0,0]=4 15802 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,1,0,1,0,0|2,0,0]=4 15803 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,1,0,1,0,0|2,0,0]=4 15804 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,1,0,1,0,0|2,0,0]=4 15805 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [0,1,0,1,0,0|1,0,0]=3 15806 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [0,1,0,1,0,0|1,0,0]=3 15807 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [0,1,0,1,0,0|1,0,0]=3 15808 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [0,1,0,1,0,0|1,0,0]=3 15809 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [0,1,0,1,0,0|1,0,0]=3 15810 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [0,1,0,1,0,0|1,0,0]=3 15811 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [0,1,0,1,0,0|1,0,0]=3 15812 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [0,1,0,1,0,0|1,0,0]=3 15813 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [0,1,0,1,0,0|1,0,0]=3 15814 B10R1.126 NC(=O)CCOCC1CO1 34a_100000757172_102125554688 [0,1,0,1,0,0|2,0,0]=4 15815 B10R1.126 NC(=O)CCOCC1CO1 7a_100000757172_102125554688 [0,1,0,1,0,0|2,0,0]=4 15816 B10R1.126 NC(=O)CCOCC1CS1 7a_100000757172_100000031435 [0,1,0,1,0,0|2,0,0]=4 15817 B10R1.126 NC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000731001 [0,1,0,1,0,0|2,0,0]=4 15818 B10R1.126 NC(=O)CCOC[C@@H]1CO1 7a_100000757172_100000745022 [0,1,0,1,0,0|2,0,0]=4 15819 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [0,1,0,1,0,0|1,0,0]=3 15820 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [0,1,0,1,0,0|1,0,0]=3 15821 B10R1.126 NC(=O)CCSCC1CO1 62a_100000744528_102125554688 [0,1,0,1,0,0|2,0,0]=4 15822 B10R1.126 NC(=O)CCSCC1CO1 62a_102125554688_100000744528 [0,1,0,1,0,0|2,0,0]=4 15823 B10R1.126 NC(=O)CCSCC1CS1 62a_100000031435_100000744528 [0,1,0,1,0,0|2,0,0]=4 15824 B10R1.126 NC(=O)CCSCC1CS1 62a_100000744528_100000031435 [0,1,0,1,0,0|2,0,0]=4 15825 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000744528_100000745022 [0,1,0,1,0,0|2,0,0]=4 15826 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000744528 [0,1,0,1,0,0|2,0,0]=4 15827 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,1,0,1,0,0|1,0,0]=3 15828 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,1,0,1,0,0|1,0,0]=3 15829 B10R1.126 NC(=O)CNCCC1CO1 2230a_100000711301_100000732470 [0,1,0,1,0,0|2,0,0]=4 15830 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,1,0,1,0,0|1,0,0]=3 15831 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,1,0,1,0,0|1,0,0]=3 15832 B10R1.126 NC(=O)COCC[C@@H]1CO1 34a_100009820653_100000187820 [0,1,0,1,0,0|2,0,0]=4 15833 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,1,0,1,0,0|1,0,0]=3 15834 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,1,0,1,0,0|1,0,0]=3 15835 B10R1.126 NC(=O)CSCCC1CO1 62a_100000732470_100000747473 [0,1,0,1,0,0|2,0,0]=4 15836 B10R1.126 NC(=O)CSCCC1CO1 62a_100000747473_100000732470 [0,1,0,1,0,0|2,0,0]=4 15837 B10R1.126 NC(=O)NCCNC1CC1 34a_100020590234_100000211595 [0,1,0,1,0,0|2,0,0]=4 15838 B10R1.126 NC(=O)NCCOC1CC1 34a_100000181757_100000211595 [0,1,0,1,0,0|2,0,0]=4 15839 B10R1.126 NC(=O)NCCSC1CC1 62a_200000034859_100000211595 [0,1,0,1,0,0|2,0,0]=4 15840 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,1,0,1,0,0|2,0,0]=4 15841 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,1,0,1,0,0|2,0,0]=4 15842 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,1,0,1,0,0|1,0,0]=3 15843 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,1,0,1,0,0|2,0,0]=4 15844 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [0,1,0,1,0,0|2,0,0]=4 15845 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,1,0,1,0,0|1,0,0]=3 15846 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,1,0,1,0,0|1,0,0]=3 15847 B10R1.126 O=C([O-])COCC[C@@H]1CO1 34a_100009820653_100020667443 [0,1,0,1,0,0|2,0,0]=4 15848 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,1,0,1,0,0|1,0,0]=3 15849 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,1,0,1,0,0|1,0,0]=3 15850 B10R1.126 O=C([O-])CSCCC1CO1 62a_100000732470_100020667443 [0,1,0,1,0,0|2,0,0]=4 15851 B10R1.126 O=C([O-])CSCCC1CO1 62a_100020667443_100000732470 [0,1,0,1,0,0|2,0,0]=4 15852 B10R1.126 O=[N+]([O-])CCCOC1CC1 34a_200000037920_100000211595 [0,1,0,1,0,0|2,0,0]=4 15853 B10R1.126 O=[N+]([O-])CNCCC1CC1 34a_100000764129_100000761209 [0,1,0,1,0,0|2,0,0]=4 15854 B10R1.126 O=[N+]([O-])COCCC1CC1 34a_100000754188_100000761209 [0,1,0,1,0,0|2,0,0]=4 15855 B10R1.126 O=[N+]([O-])CSCCC1CC1 62a_100000764125_100000761209 [0,1,0,1,0,0|2,0,0]=4 15856 B10R1.127 C=C(Br)CCOC1CCC1 34a_100009813270_100000749161 [0,1,0,1,0,0|2,0,0]=4 15857 B10R1.127 C=C(C)CCNC1CCC1 2230a_100000749019_100000730704 [0,1,0,1,0,0|2,0,0]=4 15858 B10R1.127 C=C(C)CCNC1CCC1 34a_100000749019_100000730704 [0,1,0,1,0,0|2,0,0]=4 15859 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [0,1,0,1,0,0|2,0,0]=4 15860 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [0,1,0,1,0,0|2,0,0]=4 15861 B10R1.127 C=C(C)CCSC1CCC1 62a_100000730704_100000749161 [0,1,0,1,0,0|2,0,0]=4 15862 B10R1.127 C=C(C)CNCC1CCC1 2230a_100000738700_100000748629 [0,1,0,1,0,0|2,0,0]=4 15863 B10R1.127 C=C(C)CNCC1CCC1 34a_100000738700_100000748629 [0,1,0,1,0,0|2,0,0]=4 15864 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [0,1,0,1,0,0|2,0,0]=4 15865 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [0,1,0,1,0,0|2,0,0]=4 15866 B10R1.127 C=C(C)CSCC1CCC1 62a_100000748629_100000763275 [0,1,0,1,0,0|2,0,0]=4 15867 B10R1.127 C=C(C)CSCC1CCC1 62a_100000763275_100000211660 [0,1,0,1,0,0|2,0,0]=4 15868 B10R1.127 C=C(F)CNCC1CCC1 2230a_100000738700_100009893438 [0,1,0,1,0,0|2,0,0]=4 15869 B10R1.127 C=C(F)CNCC1CCC1 34a_100000738700_100009893438 [0,1,0,1,0,0|2,0,0]=4 15870 B10R1.127 C=C(F)COCC1CCC1 34a_100000760304_100009893438 [0,1,0,1,0,0|2,0,0]=4 15871 B10R1.127 C=C(F)COCC1CCC1 34a_200010262243_100000763275 [0,1,0,1,0,0|2,0,0]=4 15872 B10R1.127 C=C(F)CSCC1CCC1 62a_100000042424_100000763275 [0,1,0,1,0,0|2,0,0]=4 15873 B10R1.127 C=C(F)CSCC1CCC1 62a_100000763275_100000042424 [0,1,0,1,0,0|2,0,0]=4 15874 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,1,0,1,0,0|1,0,0]=3 15875 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|1,0,0]=3 15876 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [0,1,0,1,0,0|2,0,0]=4 15877 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [0,1,0,1,0,0|2,0,0]=4 15878 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [0,1,0,1,0,0|2,0,0]=4 15879 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,1,0,1,0,0|1,0,0]=3 15880 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [0,1,0,1,0,0|2,0,0]=4 15881 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|1,0,0]=3 15882 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|2,0,0]=4 15883 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [0,1,0,1,0,0|2,0,0]=4 15884 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,1,0,1,0,0|2,0,0]=4 15885 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,1,0,1,0,0|2,0,0]=4 15886 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [0,1,0,1,0,0|2,0,0]=4 15887 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,1,0,1,0,0|2,0,0]=4 15888 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,1,0,1,0,0|2,0,0]=4 15889 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,1,0,1,0,0|2,0,0]=4 15890 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,1,0,1,0,0|2,0,0]=4 15891 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [0,1,0,1,0,0|1,0,0]=3 15892 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [0,1,0,1,0,0|1,0,0]=3 15893 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [0,1,0,1,0,0|1,0,0]=3 15894 B10R1.127 NC(=O)CCNC1COC1 2230a_100016991112_100000744528 [0,1,0,1,0,0|2,0,0]=4 15895 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [0,1,0,1,0,0|1,0,0]=3 15896 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [0,1,0,1,0,0|1,0,0]=3 15897 B10R1.127 NC(=O)CCOC1COC1 34a_100000757172_100009818527 [0,1,0,1,0,0|2,0,0]=4 15898 B10R1.127 NC(=O)CCOC1COC1 7a_100000757172_100009818527 [0,1,0,1,0,0|2,0,0]=4 15899 B10R1.127 NC(=O)CCOC1CSC1 7a_100000072292_100000744528 [0,1,0,1,0,0|2,0,0]=4 15900 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [0,1,0,1,0,0|1,0,0]=3 15901 B10R1.127 NC(=O)CCSC1COC1 62a_100000744528_100009818527 [0,1,0,1,0,0|2,0,0]=4 15902 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,1,0,1,0,0|1,0,0]=3 15903 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,1,0,1,0,0|1,0,0]=3 15904 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,1,0,1,0,0|1,0,0]=3 15905 B10R1.127 NC(=O)CNCC1CCO1 2230a_100000711301_100000103362 [0,1,0,1,0,0|2,0,0]=4 15906 B10R1.127 NC(=O)CNCC1COC1 2230a_100000711301_100010264016 [0,1,0,1,0,0|2,0,0]=4 15907 B10R1.127 NC(=O)CNCC1COC1 2230a_100015281925_100000747473 [0,1,0,1,0,0|2,0,0]=4 15908 B10R1.127 NC(=O)CNCC1COC1 34a_100015281925_100000187820 [0,1,0,1,0,0|2,0,0]=4 15909 B10R1.127 NC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747473 [0,1,0,1,0,0|2,0,0]=4 15910 B10R1.127 NC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000187820 [0,1,0,1,0,0|2,0,0]=4 15911 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,1,0,1,0,0|1,0,0]=3 15912 B10R1.127 NC(=O)COCC1CCO1 34a_100000039022_100000187820 [0,1,0,1,0,0|2,0,0]=4 15913 B10R1.127 NC(=O)COCC1CNC1 34a_100016987283_100000187820 [0,1,0,1,0,0|2,0,0]=4 15914 B10R1.127 NC(=O)COCC1COC1 34a_100000060846_100000187820 [0,1,0,1,0,0|2,0,0]=4 15915 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,1,0,1,0,0|1,0,0]=3 15916 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,1,0,1,0,0|1,0,0]=3 15917 B10R1.127 NC(=O)CSCC1CCO1 62a_100000103362_100000747473 [0,1,0,1,0,0|2,0,0]=4 15918 B10R1.127 NC(=O)CSCC1CCO1 62a_100000747473_100000103362 [0,1,0,1,0,0|2,0,0]=4 15919 B10R1.127 NC(=O)CSCC1COC1 62a_100000747473_100010264016 [0,1,0,1,0,0|2,0,0]=4 15920 B10R1.127 NC(=O)CSCC1COC1 62a_100010264016_100000747473 [0,1,0,1,0,0|2,0,0]=4 15921 B10R1.127 NC(=O)NCCN1CCC1 269982a_100000754969_200000034859 [0,1,0,1,0,0|2,0,0]=4 15922 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,1,0,1,0,0|2,0,0]=4 15923 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,1,0,1,0,0|1,0,0]=3 15924 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,1,0,1,0,0|2,0,0]=4 15925 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,1,0,1,0,0|2,0,0]=4 15926 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [0,1,0,1,0,0|2,0,0]=4 15927 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,1,0,1,0,0|1,0,0]=3 15928 B10R1.127 O=C([O-])CNCC1COC1 34a_100015281925_100020667443 [0,1,0,1,0,0|2,0,0]=4 15929 B10R1.127 O=C([O-])CNC[C@@H]1CCO1 34a_100020831831_100020667443 [0,1,0,1,0,0|2,0,0]=4 15930 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,1,0,1,0,0|1,0,0]=3 15931 B10R1.127 O=C([O-])COCC1CCO1 34a_100000039022_100020667443 [0,1,0,1,0,0|2,0,0]=4 15932 B10R1.127 O=C([O-])COCC1CNC1 34a_100016987283_100020667443 [0,1,0,1,0,0|2,0,0]=4 15933 B10R1.127 O=C([O-])COCC1COC1 34a_100000060846_100020667443 [0,1,0,1,0,0|2,0,0]=4 15934 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,1,0,1,0,0|1,0,0]=3 15935 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,1,0,1,0,0|1,0,0]=3 15936 B10R1.127 O=C([O-])CSCC1CCO1 62a_100000103362_100020667443 [0,1,0,1,0,0|2,0,0]=4 15937 B10R1.127 O=C([O-])CSCC1CCO1 62a_100020667443_100000103362 [0,1,0,1,0,0|2,0,0]=4 15938 B10R1.127 O=C([O-])CSCC1COC1 62a_100010264016_100020667443 [0,1,0,1,0,0|2,0,0]=4 15939 B10R1.127 O=C([O-])CSCC1COC1 62a_100020667443_100010264016 [0,1,0,1,0,0|2,0,0]=4 15940 B10R1.127 O=[N+]([O-])CNCC1CCC1 34a_100000738700_100000761209 [0,1,0,1,0,0|2,0,0]=4 15941 B10R1.127 O=[N+]([O-])COCC1CCC1 34a_100000760304_100000761209 [0,1,0,1,0,0|2,0,0]=4 15942 B10R1.127 O=[N+]([O-])CSCC1CCC1 62a_100000763275_100000761209 [0,1,0,1,0,0|2,0,0]=4 15943 B10R1.133 C=CCN1CCCC1(C)C 2230a_100000761399_100000210623 [0,1,0,1,0,0|2,0,0]=4 15944 B10R1.133 C=CCN1CCCC1(C)C 269982a_100000761399_100000210623 [0,1,0,1,0,0|2,0,0]=4 15945 B10R1.133 C=CCN1CCCC1(C)C 34a_100000761399_100015514636 [0,1,0,1,0,0|2,0,0]=4 15946 B10R1.133 CC1(CCCN1CC=O)C 2230a_100000761399_200015260668 [0,1,0,1,0,0|1,0,0]=3 15947 B10R1.133 CC1(CCCN1CC=O)C 269982a_100000761399_200015260668 [0,1,0,1,0,0|1,0,0]=3 15948 B10R1.133 CC1(CCCN1CC=O)C 34a_100000761399_200009817547 [0,1,0,1,0,0|1,0,0]=3 15949 B10R1.133 CC1(COCN1CC=O)C 2230a_100000043020_200015260668 [0,1,0,1,0,0|2,0,0]=4 15950 B10R1.133 CC1(COCN1CC=O)C 269982a_100000043020_200015260668 [0,1,0,1,0,0|2,0,0]=4 15951 B10R1.133 CC1(SCCN1CC=O)C 2230a_100011217261_200015260668 [0,1,0,1,0,0|2,0,0]=4 15952 B10R1.133 CC1(SCCN1CC=O)C 269982a_100011217261_200015260668 [0,1,0,1,0,0|2,0,0]=4 15953 B10R1.133 CC1(SCCN1CC=O)C 34a_100011217261_200009817547 [0,1,0,1,0,0|2,0,0]=4 15954 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,1,0,1,0,0|2,0,0]=4 15955 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [0,1,0,1,0,0|1,0,1]=4 15956 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [0,1,0,1,0,0|1,0,1]=4 15957 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [0,1,0,1,0,0|1,0,1]=4 15958 B10R1.177 C#CCCCCNC1CC1 34a_100000212008_100010269958 [0,1,0,1,0,0|1,0,1]=4 15959 B10R1.177 C#CCCCCNC1CC1 34a_100000706060_100000211595 [0,1,0,1,0,0|1,0,1]=4 15960 B10R1.177 C#CCCCCOC1CC1 34a_100000766709_100000211595 [0,1,0,1,0,0|1,0,1]=4 15961 B10R1.177 C#CCCCCSC1CC1 62a_100010269958_100000211595 [0,1,0,1,0,0|1,0,1]=4 15962 B10R1.177 C#CCCCNCC1CC1 2230a_100000735609_100000731252 [0,1,0,1,0,0|1,0,1]=4 15963 B10R1.177 C#CCCCNCC1CC1 34a_100000718082_100000742324 [0,1,0,1,0,0|1,0,1]=4 15964 B10R1.177 C#CCCCNCC1CC1 34a_100000735609_100000695029 [0,1,0,1,0,0|1,0,1]=4 15965 B10R1.177 C#CCCCOCC1CC1 34a_100000211283_100000695029 [0,1,0,1,0,0|1,0,1]=4 15966 B10R1.177 C#CCCCOCC1CC1 34a_100000215630_100000742324 [0,1,0,1,0,0|1,0,1]=4 15967 B10R1.177 C#CCCCOCC1CC1 7a_100000215630_100000742324 [0,1,0,1,0,0|1,0,1]=4 15968 B10R1.177 C#CCCCSCC1CC1 62a_100000756562_100011215417 [0,1,0,1,0,0|1,0,1]=4 15969 B10R1.177 C#CCCCSCC1CC1 62a_100011215417_100000742324 [0,1,0,1,0,0|1,0,1]=4 15970 B10R1.177 C#CCCNCCC1CC1 34a_100000755551_100000694398 [0,1,0,1,0,0|1,0,1]=4 15971 B10R1.177 C#CCCNCCC1CC1 34a_100000764129_100000688953 [0,1,0,1,0,0|1,0,1]=4 15972 B10R1.177 C#CCCOCCC1CC1 34a_100000754188_100000688953 [0,1,0,1,0,0|1,0,1]=4 15973 B10R1.177 C#CCCOCCC1CC1 34a_100011215631_100000694398 [0,1,0,1,0,0|1,0,1]=4 15974 B10R1.177 C#CCCOCCC1CC1 7a_100000754188_100000688953 [0,1,0,1,0,0|1,0,1]=4 15975 B10R1.177 C#CCCSCCC1CC1 62a_100000688953_100000764125 [0,1,0,1,0,0|1,0,1]=4 15976 B10R1.177 C#CCCSCCC1CC1 62a_100000764125_100000688953 [0,1,0,1,0,0|1,0,1]=4 15977 B10R1.177 C/C=C/CCOCC1CC1 34a_100016278192_100000742324 [0,1,0,1,0,0|1,0,1]=4 15978 B10R1.177 C/C=C/CNCCC1CC1 34a_100000764129_100102629194 [0,1,0,1,0,0|1,0,1]=4 15979 B10R1.177 C/C=C/COCCC1CC1 34a_100000754188_100102629194 [0,1,0,1,0,0|1,0,1]=4 15980 B10R1.177 C/C=C/COCCC1CC1 34a_100016270725_100000694398 [0,1,0,1,0,0|1,0,1]=4 15981 B10R1.177 C/C=C/COCCC1CC1 7a_100000754188_100102629194 [0,1,0,1,0,0|1,0,1]=4 15982 B10R1.177 C/C=C/CSCCC1CC1 62a_100000764125_100102629194 [0,1,0,1,0,0|1,0,1]=4 15983 B10R1.177 C/C=C/CSCCC1CC1 62a_100102629194_100000764125 [0,1,0,1,0,0|1,0,1]=4 15984 B10R1.177 C=CCCCCNC1CC1 34a_100000212008_100011215482 [0,1,0,1,0,0|1,0,0]=3 15985 B10R1.177 C=CCCCCNC1CC1 34a_100000703577_100000211595 [0,1,0,1,0,0|1,0,0]=3 15986 B10R1.177 C=CCCCCOC1CC1 34a_100000766645_100000211595 [0,1,0,1,0,0|1,0,0]=3 15987 B10R1.177 C=CCCCCSC1CC1 62a_100011215482_100000211595 [0,1,0,1,0,0|1,0,0]=3 15988 B10R1.177 C=CCCCNCC1CC1 2230a_100000700776_100000742324 [0,1,0,1,0,0|1,0,0]=3 15989 B10R1.177 C=CCCCNCC1CC1 2230a_100000735609_100011713584 [0,1,0,1,0,0|1,0,0]=3 15990 B10R1.177 C=CCCCNCC1CC1 269862a_100000700776_100000741477 [0,1,0,1,0,0|1,0,0]=3 15991 B10R1.177 C=CCCCNCC1CC1 34a_100000700776_100000742324 [0,1,0,1,0,0|1,0,0]=3 15992 B10R1.177 C=CCCCNCC1CC1 34a_100000735609_100000757094 [0,1,0,1,0,0|1,0,0]=3 15993 B10R1.177 C=CCCCNCC1CO1 2230a_100000700776_100011216344 [0,1,0,1,0,0|2,0,0]=4 15994 B10R1.177 C=CCCCNCC1CO1 34a_100000700776_102125554688 [0,1,0,1,0,0|2,0,0]=4 15995 B10R1.177 C=CCCCOCC1CC1 34a_100000211283_100000757094 [0,1,0,1,0,0|1,0,0]=3 15996 B10R1.177 C=CCCCOCC1CC1 34a_100000758997_100000742324 [0,1,0,1,0,0|1,0,0]=3 15997 B10R1.177 C=CCCCOCC1CC1 7a_100000758997_100000742324 [0,1,0,1,0,0|1,0,0]=3 15998 B10R1.177 C=CCCCOCC1CO1 34a_100000758997_102125554688 [0,1,0,1,0,0|2,0,0]=4 15999 B10R1.177 C=CCCCOCC1CO1 7a_100000758997_102125554688 [0,1,0,1,0,0|2,0,0]=4 16000 B10R1.177 C=CCCCOCC1CS1 7a_100000758997_100000031435 [0,1,0,1,0,0|2,0,0]=4 16001 B10R1.177 C=CCCCOC[C@@H]1CO1 34a_100000757423_100000757094 [0,1,0,1,0,0|2,0,0]=4 16002 B10R1.177 C=CCCCOC[C@@H]1CO1 7a_100000758997_100000745022 [0,1,0,1,0,0|2,0,0]=4 16003 B10R1.177 C=CCCCSCC1CC1 62a_100000756562_100000757094 [0,1,0,1,0,0|1,0,0]=3 16004 B10R1.177 C=CCCCSCC1CC1 62a_100011713584_100000742324 [0,1,0,1,0,0|1,0,0]=3 16005 B10R1.177 C=CCCCSCC1CO1 62a_100011713584_102125554688 [0,1,0,1,0,0|2,0,0]=4 16006 B10R1.177 C=CCCCSCC1CO1 62a_102125554688_100000757094 [0,1,0,1,0,0|2,0,0]=4 16007 B10R1.177 C=CCCCSCC1CS1 62a_100000031435_100000757094 [0,1,0,1,0,0|2,0,0]=4 16008 B10R1.177 C=CCCCSCC1CS1 62a_100011713584_100000031435 [0,1,0,1,0,0|2,0,0]=4 16009 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100000745022_100000757094 [0,1,0,1,0,0|2,0,0]=4 16010 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100011713584_100000745022 [0,1,0,1,0,0|2,0,0]=4 16011 B10R1.177 C=CCCNCCC1CC1 2230a_100015191253_100000694398 [0,1,0,1,0,0|1,0,0]=3 16012 B10R1.177 C=CCCNCCC1CC1 34a_100000764129_100000754431 [0,1,0,1,0,0|1,0,0]=3 16013 B10R1.177 C=CCCNCCC1CO1 2230a_100015191253_100000732470 [0,1,0,1,0,0|2,0,0]=4 16014 B10R1.177 C=CCCOCCC1CC1 34a_100000754188_100000754431 [0,1,0,1,0,0|1,0,0]=3 16015 B10R1.177 C=CCCOCCC1CC1 34a_100011205117_100000694398 [0,1,0,1,0,0|1,0,0]=3 16016 B10R1.177 C=CCCOCCC1CC1 7a_100000754188_100000754431 [0,1,0,1,0,0|1,0,0]=3 16017 B10R1.177 C=CCCOCCC1CO1 34a_100011205117_100000732470 [0,1,0,1,0,0|2,0,0]=4 16018 B10R1.177 C=CCCOCC[C@@H]1CO1 34a_100009820653_100000754431 [0,1,0,1,0,0|2,0,0]=4 16019 B10R1.177 C=CCCSCCC1CC1 62a_100000754431_100000764125 [0,1,0,1,0,0|1,0,0]=3 16020 B10R1.177 C=CCCSCCC1CC1 62a_100000764125_100000754431 [0,1,0,1,0,0|1,0,0]=3 16021 B10R1.177 C=CCCSCCC1CO1 62a_100000732470_100000754431 [0,1,0,1,0,0|2,0,0]=4 16022 B10R1.177 C=CCCSCCC1CO1 62a_100000754431_100000732470 [0,1,0,1,0,0|2,0,0]=4 16023 B10R1.177 C=CCNCCCC1CO1 2230a_100020586998_100000733510 [0,1,0,1,0,0|2,0,0]=4 16024 B10R1.177 C=CCOCCCC1CO1 34a_200000210373_100000733510 [0,1,0,1,0,0|2,0,0]=4 16025 B10R1.177 C=CCOCCNC1CC1 34a_100000738766_100015514636 [0,1,0,1,0,0|2,0,0]=4 16026 B10R1.177 C=CCOCCOC1CC1 34a_100000037705_100000211595 [0,1,0,1,0,0|2,0,0]=4 16027 B10R1.177 C=CCSCCCC1CO1 62a_100000210623_100000733510 [0,1,0,1,0,0|2,0,0]=4 16028 B10R1.177 C=CCSCCCC1CO1 62a_100000733510_100000210623 [0,1,0,1,0,0|2,0,0]=4 16029 B10R1.177 C=COCCCNC1CC1 34a_100000210767_100000211595 [0,1,0,1,0,0|2,0,0]=4 16030 B10R1.177 C=COCCNCC1CC1 2230a_100000735609_100000039644 [0,1,0,1,0,0|2,0,0]=4 16031 B10R1.177 C=COCCNCC1CC1 34a_100000735609_100000039644 [0,1,0,1,0,0|2,0,0]=4 16032 B10R1.177 C=COCCOCC1CC1 34a_100000033082_100000742324 [0,1,0,1,0,0|2,0,0]=4 16033 B10R1.177 C=COCCOCC1CC1 34a_100000211283_100000039644 [0,1,0,1,0,0|2,0,0]=4 16034 B10R1.177 C=COCCSCC1CC1 62a_100000039644_100000742324 [0,1,0,1,0,0|2,0,0]=4 16035 B10R1.177 C=COCCSCC1CC1 62a_100000756562_100000039644 [0,1,0,1,0,0|2,0,0]=4 16036 B10R1.177 CC=CCCCOC1CC1 34a_100020645299_100000211595 [0,1,0,1,0,0|1,0,1]=4 16037 B10R1.177 CC=CCNCCC1CC1 34a_100000764129_100000070051 [0,1,0,1,0,0|1,0,1]=4 16038 B10R1.177 CC=CCOCCC1CC1 34a_100000754188_100000070051 [0,1,0,1,0,0|1,0,1]=4 16039 B10R1.177 CC=CCOCCC1CC1 7a_100000754188_100000070051 [0,1,0,1,0,0|1,0,1]=4 16040 B10R1.177 CC=CCSCCC1CC1 62a_100000070051_100000764125 [0,1,0,1,0,0|1,0,1]=4 16041 B10R1.177 CC=CCSCCC1CC1 62a_100000764125_100000070051 [0,1,0,1,0,0|1,0,1]=4 16042 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [0,1,0,1,0,0|1,0,1]=4 16043 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,1,0,1,0,0|1,0,1]=4 16044 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [0,1,0,1,0,0|1,0,1]=4 16045 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [0,1,0,1,0,0|1,0,1]=4 16046 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [0,1,0,1,0,0|1,0,1]=4 16047 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [0,1,0,1,0,0|1,0,1]=4 16048 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [0,1,0,1,0,0|1,0,1]=4 16049 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,1,0,1,0,0|0,0,2]=4 16050 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [0,1,0,1,0,0|1,0,1]=4 16051 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [0,1,0,1,0,0|1,0,1]=4 16052 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [0,1,0,1,0,0|1,0,1]=4 16053 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,1,0,1,0,0|0,0,2]=4 16054 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,1,0,1,0,0|0,0,2]=4 16055 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [0,1,0,1,0,0|0,1,1]=4 16056 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,1,0,1,0,0|0,0,2]=4 16057 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,1,0,1,0,0|0,0,2]=4 16058 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [0,1,0,1,0,0|1,0,1]=4 16059 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [0,1,0,1,0,0|1,0,1]=4 16060 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,1,0,1,0,0|0,0,2]=4 16061 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,1,0,1,0,0|0,0,2]=4 16062 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [0,1,0,1,0,0|0,1,1]=4 16063 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [0,1,0,1,0,0|0,1,1]=4 16064 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,1,0,1,0,0|0,0,2]=4 16065 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,1,0,1,0,0|0,0,2]=4 16066 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [0,1,0,1,0,0|1,0,1]=4 16067 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [0,1,0,1,0,0|1,0,1]=4 16068 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [0,1,0,1,0,0|1,0,1]=4 16069 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,1,0,1,0,0|0,0,2]=4 16070 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,1,0,1,0,0|0,0,2]=4 16071 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [0,1,0,1,0,0|1,0,1]=4 16072 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [0,1,0,1,0,0|1,0,1]=4 16073 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [0,1,0,1,0,0|1,0,1]=4 16074 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [0,1,0,1,0,0|1,0,1]=4 16075 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,1,0,1,0,0|0,0,2]=4 16076 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,1,0,1,0,0|0,0,2]=4 16077 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,1,0,1,0,0|0,0,2]=4 16078 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [0,1,0,1,0,0|1,0,1]=4 16079 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [0,1,0,1,0,0|1,0,1]=4 16080 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,1,0,1,0,0|0,0,2]=4 16081 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,1,0,1,0,0|0,0,2]=4 16082 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,1,0,1,0,0|0,0,2]=4 16083 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,1,0,1,0,0|0,0,2]=4 16084 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,1,0,1,0,0|0,0,2]=4 16085 B10R1.177 CNCCCOCC1CC1 34a_100000213112_100000742324 [0,1,0,1,0,0|2,0,0]=4 16086 B10R1.177 COCCCCNC1CC1 34a_100000212008_100000755781 [0,1,0,1,0,0|2,0,0]=4 16087 B10R1.177 COCCCCOC1CC1 34a_100000740925_100000211595 [0,1,0,1,0,0|2,0,0]=4 16088 B10R1.177 COCCCCSC1CC1 62a_100000730899_100000211595 [0,1,0,1,0,0|2,0,0]=4 16089 B10R1.177 COCCCNCC1CC1 2230a_100000735609_100000740836 [0,1,0,1,0,0|2,0,0]=4 16090 B10R1.177 COCCCNCC1CC1 269862a_100150723488_100000741477 [0,1,0,1,0,0|2,0,0]=4 16091 B10R1.177 COCCCNCC1CC1 34a_100000735609_100000740836 [0,1,0,1,0,0|2,0,0]=4 16092 B10R1.177 COCCCNCC1CC1 34a_100150723488_100000742324 [0,1,0,1,0,0|2,0,0]=4 16093 B10R1.177 COCCCOCC1CC1 34a_100000211283_100000740836 [0,1,0,1,0,0|2,0,0]=4 16094 B10R1.177 COCCCOCC1CC1 34a_100000740835_100000742324 [0,1,0,1,0,0|2,0,0]=4 16095 B10R1.177 COCCCSCC1CC1 62a_100000709357_100000742324 [0,1,0,1,0,0|2,0,0]=4 16096 B10R1.177 COCCCSCC1CC1 62a_100000756562_100000709357 [0,1,0,1,0,0|2,0,0]=4 16097 B10R1.177 COCCNCCC1CC1 2230a_100000209980_100000694398 [0,1,0,1,0,0|2,0,0]=4 16098 B10R1.177 COCCNCCC1CC1 34a_100000764129_100011201679 [0,1,0,1,0,0|2,0,0]=4 16099 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [0,1,0,1,0,0|2,0,0]=4 16100 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [0,1,0,1,0,0|2,0,0]=4 16101 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [0,1,0,1,0,0|2,0,0]=4 16102 B10R1.177 COCCSCCC1CC1 62a_100000233755_100000764125 [0,1,0,1,0,0|2,0,0]=4 16103 B10R1.177 COCCSCCC1CC1 62a_100000764125_100000233755 [0,1,0,1,0,0|2,0,0]=4 16104 B10R1.177 CSCCCCOC1CC1 34a_100011217163_100000211595 [0,1,0,1,0,0|2,0,0]=4 16105 B10R1.177 CSCCCNCC1CC1 2230a_100000749238_100000742324 [0,1,0,1,0,0|2,0,0]=4 16106 B10R1.177 CSCCCNCC1CC1 269862a_100000749238_100000741477 [0,1,0,1,0,0|2,0,0]=4 16107 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [0,1,0,1,0,0|2,0,0]=4 16108 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [0,1,0,1,0,0|2,0,0]=4 16109 B10R1.177 CSCCNCCC1CC1 2230a_100020590264_100000694398 [0,1,0,1,0,0|2,0,0]=4 16110 B10R1.177 CSCCNCCC1CC1 34a_100000764129_100000212216 [0,1,0,1,0,0|2,0,0]=4 16111 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [0,1,0,1,0,0|2,0,0]=4 16112 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [0,1,0,1,0,0|2,0,0]=4 16113 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [0,1,0,1,0,0|2,0,0]=4 16114 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [0,1,0,1,0,0|2,0,0]=4 16115 B10R1.177 CSCCSCCC1CC1 62a_100000212216_100000764125 [0,1,0,1,0,0|2,0,0]=4 16116 B10R1.177 CSCCSCCC1CC1 62a_100000764125_100000751147 [0,1,0,1,0,0|2,0,0]=4 16117 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [0,1,0,1,0,0|1,0,1]=4 16118 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [0,1,0,1,0,0|1,0,1]=4 16119 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [0,1,0,1,0,0|1,0,1]=4 16120 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [0,1,0,1,0,0|1,0,1]=4 16121 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [0,1,0,1,0,0|1,0,1]=4 16122 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [0,1,0,1,0,0|1,0,1]=4 16123 B10R1.177 FCCCCNCC1CC1 2230a_100000735609_100000729493 [0,1,0,1,0,0|1,0,1]=4 16124 B10R1.177 FCCCCNCC1CC1 34a_100000735609_100000729493 [0,1,0,1,0,0|1,0,1]=4 16125 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [0,1,0,1,0,0|1,0,1]=4 16126 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [0,1,0,1,0,0|1,0,1]=4 16127 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [0,1,0,1,0,0|1,0,1]=4 16128 B10R1.177 FCCCCSCC1CC1 62a_100000729493_100000742324 [0,1,0,1,0,0|1,0,1]=4 16129 B10R1.177 FCCCCSCC1CC1 62a_100000756562_100000729493 [0,1,0,1,0,0|1,0,1]=4 16130 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [0,1,0,1,0,0|1,0,1]=4 16131 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [0,1,0,1,0,0|1,0,1]=4 16132 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [0,1,0,1,0,0|1,0,1]=4 16133 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [0,1,0,1,0,0|1,0,1]=4 16134 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [0,1,0,1,0,0|1,0,1]=4 16135 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [0,1,0,1,0,0|1,0,1]=4 16136 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [0,1,0,1,0,0|1,0,1]=4 16137 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [0,1,0,1,0,0|1,0,1]=4 16138 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [0,1,0,1,0,0|1,0,1]=4 16139 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [0,1,0,1,0,0|1,0,1]=4 16140 B10R1.177 N#CCCCCSC1CC1 62a_100011219923_100000211595 [0,1,0,1,0,0|1,0,1]=4 16141 B10R1.177 N#CCCCNCC1CC1 2230a_100000735609_100000687738 [0,1,0,1,0,0|1,0,1]=4 16142 B10R1.177 N#CCCCSCC1CC1 62a_100000687738_100000742324 [0,1,0,1,0,0|1,0,1]=4 16143 B10R1.177 N#CCCCSCC1CC1 62a_100000756562_100000687738 [0,1,0,1,0,0|1,0,1]=4 16144 B10R1.177 N#CCCOCCC1CC1 7a_100000754188_100000184422 [0,1,0,1,0,0|1,0,1]=4 16145 B10R1.177 N#CCCSCCC1CC1 62a_100000764125_100011215226 [0,1,0,1,0,0|1,0,1]=4 16146 B10R1.177 N#CCCSCCC1CC1 62a_100011215226_100000764125 [0,1,0,1,0,0|1,0,1]=4 16147 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [0,1,0,1,0,0|1,0,1]=4 16148 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [0,1,0,1,0,0|1,0,1]=4 16149 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [0,1,0,1,0,0|1,0,1]=4 16150 B10R1.177 NOCCOCCC1CC1 34a_100000700252_100000694398 [0,1,0,1,0,0|2,0,0]=4 16151 B10R1.177 O=CCCCCSC1CC1 62a_100000139335_100000211595 [0,1,0,1,0,0|0,0,0]=2 16152 B10R1.177 O=CCCCNCC1CC1 2230a_100000735609_200011292268 [0,1,0,1,0,0|0,0,0]=2 16153 B10R1.177 O=CCCCSCC1CC1 62a_100000756562_200011292268 [0,1,0,1,0,0|0,0,0]=2 16154 B10R1.177 O=CCCCSCC1CC1 62a_200011292268_100000742324 [0,1,0,1,0,0|0,0,0]=2 16155 B10R1.177 O=CCCCSCC1CO1 62a_102125554688_200011292268 [0,1,0,1,0,0|1,0,0]=3 16156 B10R1.177 O=CCCCSCC1CO1 62a_200011292268_102125554688 [0,1,0,1,0,0|1,0,0]=3 16157 B10R1.177 O=CCCCSCC1CS1 62a_100000031435_200011292268 [0,1,0,1,0,0|1,0,0]=3 16158 B10R1.177 O=CCCCSCC1CS1 62a_200011292268_100000031435 [0,1,0,1,0,0|1,0,0]=3 16159 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_100000745022_200011292268 [0,1,0,1,0,0|1,0,0]=3 16160 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_200011292268_100000745022 [0,1,0,1,0,0|1,0,0]=3 16161 B10R1.177 O=CCOCC#CC1CC1 34a_100000083941_200009817547 [0,1,0,1,0,0|0,0,2]=4 16162 B10R1.177 O=CCOCC#CC1CC1 7a_100000083941_200015260668 [0,1,0,1,0,0|0,0,2]=4 16163 B10R1.177 O=CCOCCNC1CC1 34a_100000738766_200009817547 [0,1,0,1,0,0|1,0,0]=3 16164 B10R1.177 O=CCSCC#CC1CC1 62a_100009895102_200015260668 [0,1,0,1,0,0|0,0,2]=4 16165 B10R1.177 O=CCSCC#CC1CC1 62a_200015260668_100009895102 [0,1,0,1,0,0|0,0,2]=4 16166 B10R1.177 O=CCSCCCC1CO1 62a_100000733510_200015260668 [0,1,0,1,0,0|1,0,0]=3 16167 B10R1.177 O=CCSCCCC1CO1 62a_200015260668_100000733510 [0,1,0,1,0,0|1,0,0]=3 16168 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,1,0,1,0,0|0,0,2]=4 16169 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,1,0,1,0,0|0,0,2]=4 16170 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,1,0,1,0,0|0,0,2]=4 16171 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [0,1,0,1,0,0|0,0,2]=4 16172 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [0,1,0,1,0,0|0,0,2]=4 16173 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [0,1,0,1,0,0|0,0,2]=4 16174 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [0,1,0,1,0,0|0,0,2]=4 16175 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [0,1,0,1,0,0|0,0,2]=4 16176 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,1,0,1,0,0|0,0,2]=4 16177 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [0,1,0,1,0,0|0,0,2]=4 16178 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [0,1,0,1,0,0|0,0,2]=4 16179 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [0,1,0,1,0,0|0,0,2]=4 16180 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [0,1,0,1,0,0|0,0,2]=4 16181 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [0,1,0,1,0,0|0,0,2]=4 16182 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [0,1,0,1,0,0|0,0,2]=4 16183 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [0,1,0,1,0,0|0,0,2]=4 16184 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,1,0,1,0,0|0,0,2]=4 16185 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|0,0,0]=2 16186 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|0,0,0]=2 16187 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|1,0,0]=3 16188 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|1,0,0]=3 16189 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|1,0,0]=3 16190 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|1,0,0]=3 16191 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 16192 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 16193 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 16194 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,1,0,1,0,0|2,0,0]=4 16195 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 16196 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 16197 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,1,0,1,0,0|2,0,0]=4 16198 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,1,0,1,0,0|2,0,0]=4 16199 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 16200 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 16201 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 16202 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 16203 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,1,0,1,0,0|0,0,2]=4 16204 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|0,0,0]=2 16205 B10R1.375 C=CCOCC1CC1(C)C 34a_100000728257_100015514636 [0,1,0,1,0,0|2,0,0]=4 16206 B10R1.375 C=CCOCC1CC1(C)C 7a_100000728257_100015514636 [0,1,0,1,0,0|2,0,0]=4 16207 B10R1.375 CC1(CC1COCC=O)C 34a_100000728257_200009817547 [0,1,0,1,0,0|1,0,0]=3 16208 B10R1.375 CC1(CC1COCC=O)C 7a_100000728257_200015260668 [0,1,0,1,0,0|1,0,0]=3 16209 B10R1.375 CC1(OC1COCC=O)C 34a_200010283642_200009817547 [0,1,0,1,0,0|2,0,0]=4 16210 B10R1.375 CC1(OC1COCC=O)C 7a_200010283642_200015260668 [0,1,0,1,0,0|2,0,0]=4 16211 B10R1.375 O=CCOCC1CC1(F)F 34a_100000056500_200009817547 [0,1,0,1,0,0|2,0,0]=4 16212 B10R1.375 O=CCOCC1CC1(F)F 7a_100000056500_200015260668 [0,1,0,1,0,0|2,0,0]=4 16213 B10R1.375 O=CCSCC1CC1(F)F 62a_100009817841_200015260668 [0,1,0,1,0,0|2,0,0]=4 16214 B10R1.375 O=CCSCC1CC1(F)F 62a_200015260668_100009817841 [0,1,0,1,0,0|2,0,0]=4 16215 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,1,0,1,0,0|1,0,1]=4 16216 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,1,0,1,0,0|1,0,1]=4 16217 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000201337_200000210301 [0,1,0,1,0,0|2,0,0]=4 16218 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000207505_100000210623 [0,1,0,1,0,0|2,0,0]=4 16219 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000225617_100000179811 [0,1,0,1,0,0|2,0,0]=4 16220 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000201337_200000210301 [0,1,0,1,0,0|2,0,0]=4 16221 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000207505_100000210623 [0,1,0,1,0,0|2,0,0]=4 16222 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000225617_100000179811 [0,1,0,1,0,0|2,0,0]=4 16223 B10R1.11 C=CCN(C)C1CCCC1 270004a_100000225617_100000210133 [0,1,0,1,0,0|2,0,0]=4 16224 B10R1.11 C=CCN(C)C1CCCC1 34a_100000201337_200000210301 [0,1,0,1,0,0|2,0,0]=4 16225 B10R1.11 C=CCN(C)C1CCCC1 34a_100000207505_100015514636 [0,1,0,1,0,0|2,0,0]=4 16226 B10R1.11 C=CCN([13CH3])C1CCCC1 2230a_100000201337_200025704644 [0,1,0,1,0,0|2,0,0]=4 16227 B10R1.11 C=CCN([13CH3])C1CCCC1 269982a_100000201337_200025704644 [0,1,0,1,0,0|2,0,0]=4 16228 B10R1.11 C=CCN([13CH3])C1CCCC1 34a_100000201337_200025704644 [0,1,0,1,0,0|2,0,0]=4 16229 B10R1.11 CN(CC=O)C1CCCC1 2230a_100000207505_200015260668 [0,1,0,1,0,0|1,0,0]=3 16230 B10R1.11 CN(CC=O)C1CCCC1 269982a_100000207505_200015260668 [0,1,0,1,0,0|1,0,0]=3 16231 B10R1.11 CN(CC=O)C1CCCC1 34a_100000207505_200009817547 [0,1,0,1,0,0|1,0,0]=3 16232 B10R1.11 CN(CC=O)C1CCOC1 2230a_100016988252_200015260668 [0,1,0,1,0,0|2,0,0]=4 16233 B10R1.11 CN(CC=O)C1CCOC1 269982a_100016988252_200015260668 [0,1,0,1,0,0|2,0,0]=4 16234 B10R1.11 CN(CC=O)C1CCOC1 34a_100016988252_200009817547 [0,1,0,1,0,0|2,0,0]=4 16235 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|0,0,0]=2 16236 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 16237 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 16238 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 16239 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 16240 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|0,0,0]=2 16241 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|0,0,0]=2 16242 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|1,0,0]=3 16243 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|1,0,0]=3 16244 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 16245 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 16246 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|0,0,0]=2 16247 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|0,0,0]=2 16248 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|1,0,0]=3 16249 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|1,0,0]=3 16250 B10R1.21 BrCCCOC1CCCC1 34a_100011217188_100000179811 [0,1,0,1,0,0|1,0,1]=4 16251 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [0,1,0,1,0,0|1,0,1]=4 16252 B10R1.21 C#CCCCN1CCCC1 2230a_100000188435_100000731252 [0,1,0,1,0,0|1,0,1]=4 16253 B10R1.21 C#CCCCN1CCCC1 269982a_100000188435_100011215417 [0,1,0,1,0,0|1,0,1]=4 16254 B10R1.21 C#CCCNC1CCCC1 2230a_100000211070_100000688953 [0,1,0,1,0,0|1,0,1]=4 16255 B10R1.21 C#CCCNC1CCCC1 34a_100000211070_100000688953 [0,1,0,1,0,0|1,0,1]=4 16256 B10R1.21 C#CCCNC1CCCC1 34a_100000755551_100000179811 [0,1,0,1,0,0|1,0,1]=4 16257 B10R1.21 C#CCCOC1CCCC1 34a_100000210269_100000688953 [0,1,0,1,0,0|1,0,1]=4 16258 B10R1.21 C#CCCOC1CCCC1 34a_100011215631_100000179811 [0,1,0,1,0,0|1,0,1]=4 16259 B10R1.21 C#CCCOC1CCCC1 7a_100000210269_100000688953 [0,1,0,1,0,0|1,0,1]=4 16260 B10R1.21 C#CCCSC1CCCC1 62a_100000688953_100000179811 [0,1,0,1,0,0|1,0,1]=4 16261 B10R1.21 C#CCCSC1CCCC1 62a_100011217020_100000688953 [0,1,0,1,0,0|1,0,1]=4 16262 B10R1.21 C#CCNCC1CCCC1 2230a_100000737975_100000038162 [0,1,0,1,0,0|1,0,1]=4 16263 B10R1.21 C#CCNCC1CCCC1 34a_100000212058_100000740388 [0,1,0,1,0,0|1,0,1]=4 16264 B10R1.21 C#CCNCC1CCCC1 34a_100000737975_100000184674 [0,1,0,1,0,0|1,0,1]=4 16265 B10R1.21 C#CCOCC1CCCC1 34a_100000210247_100000740388 [0,1,0,1,0,0|1,0,1]=4 16266 B10R1.21 C#CCOCC1CCCC1 34a_100000742336_100000184674 [0,1,0,1,0,0|1,0,1]=4 16267 B10R1.21 C#CCOCC1CCCC1 7a_100000742336_100000038162 [0,1,0,1,0,0|1,0,1]=4 16268 B10R1.21 C#CCSCC1CCCC1 62a_100000038162_100000740388 [0,1,0,1,0,0|1,0,1]=4 16269 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [0,1,0,1,0,0|1,0,1]=4 16270 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [0,1,0,1,0,0|1,0,1]=4 16271 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [0,1,0,1,0,0|1,0,1]=4 16272 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [0,1,0,1,0,0|1,0,1]=4 16273 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [0,1,0,1,0,0|1,0,1]=4 16274 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [0,1,0,1,0,0|1,0,1]=4 16275 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [0,1,0,1,0,0|1,0,0]=3 16276 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [0,1,0,1,0,0|1,0,0]=3 16277 B10R1.21 C=CCCCN1CCSC1 2230a_100011215254_100011713584 [0,1,0,1,0,0|2,0,0]=4 16278 B10R1.21 C=CCCCN1CCSC1 269982a_100011215254_100000757094 [0,1,0,1,0,0|2,0,0]=4 16279 B10R1.21 C=CCCNC1CCCC1 2230a_100000211070_100000754431 [0,1,0,1,0,0|1,0,0]=3 16280 B10R1.21 C=CCCNC1CCCC1 2230a_100015191253_100000179811 [0,1,0,1,0,0|1,0,0]=3 16281 B10R1.21 C=CCCNC1CCCC1 270004a_100015191253_100000210133 [0,1,0,1,0,0|1,0,0]=3 16282 B10R1.21 C=CCCNC1CCCC1 34a_100000211070_100000754431 [0,1,0,1,0,0|1,0,0]=3 16283 B10R1.21 C=CCCNC1CCOC1 2230a_100015191253_100000731011 [0,1,0,1,0,0|2,0,0]=4 16284 B10R1.21 C=CCCNC1CCOC1 270004a_100015191253_100000752484 [0,1,0,1,0,0|2,0,0]=4 16285 B10R1.21 C=CCCNC1CCSC1 270004a_100015191253_100000212027 [0,1,0,1,0,0|2,0,0]=4 16286 B10R1.21 C=CCCN[C@@H]1CCOC1 2230a_200015188469_100000754431 [0,1,0,1,0,0|2,0,0]=4 16287 B10R1.21 C=CCCN[C@H]1CCOC1 2230a_100015188467_100000754431 [0,1,0,1,0,0|2,0,0]=4 16288 B10R1.21 C=CCCN[C@H]1CCOC1 34a_100015188467_100000754431 [0,1,0,1,0,0|2,0,0]=4 16289 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [0,1,0,1,0,0|1,0,0]=3 16290 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [0,1,0,1,0,0|1,0,0]=3 16291 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [0,1,0,1,0,0|1,0,0]=3 16292 B10R1.21 C=CCCOC1CCCO1 34a_100000085407_100000754431 [0,1,0,1,0,0|2,0,0]=4 16293 B10R1.21 C=CCCOC1CCOC1 34a_100011205117_100000690089 [0,1,0,1,0,0|2,0,0]=4 16294 B10R1.21 C=CCCOC1CCSC1 7a_100011232664_100000754431 [0,1,0,1,0,0|2,0,0]=4 16295 B10R1.21 C=CCCO[C@H]1CCOC1 34a_100000717292_100000754431 [0,1,0,1,0,0|2,0,0]=4 16296 B10R1.21 C=CCCSC1CCCC1 62a_100000754431_100000179811 [0,1,0,1,0,0|1,0,0]=3 16297 B10R1.21 C=CCCSC1CCCC1 62a_100011217020_100000754431 [0,1,0,1,0,0|1,0,0]=3 16298 B10R1.21 C=CCCSC1CCOC1 62a_100000754431_100000690089 [0,1,0,1,0,0|2,0,0]=4 16299 B10R1.21 C=CCNCC1CCCC1 2230a_100000737975_100000210623 [0,1,0,1,0,0|1,0,0]=3 16300 B10R1.21 C=CCNCC1CCCC1 2230a_100020586998_100000740388 [0,1,0,1,0,0|1,0,0]=3 16301 B10R1.21 C=CCNCC1CCCC1 34a_100000737975_100015514636 [0,1,0,1,0,0|1,0,0]=3 16302 B10R1.21 C=CCNCC1CCCO1 2230a_100020586998_100000203698 [0,1,0,1,0,0|2,0,0]=4 16303 B10R1.21 C=CCNCC1CCOC1 2230a_100000737293_100000210623 [0,1,0,1,0,0|2,0,0]=4 16304 B10R1.21 C=CCNCC1CCOC1 2230a_100020586998_100000702531 [0,1,0,1,0,0|2,0,0]=4 16305 B10R1.21 C=CCNCC1CCOC1 34a_100000737293_100015514636 [0,1,0,1,0,0|2,0,0]=4 16306 B10R1.21 C=CCNC[C@@H]1CCCO1 2230a_100020590478_100000210623 [0,1,0,1,0,0|2,0,0]=4 16307 B10R1.21 C=CCNC[C@@H]1CCCO1 34a_100020590478_100015514636 [0,1,0,1,0,0|2,0,0]=4 16308 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [0,1,0,1,0,0|1,0,0]=3 16309 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [0,1,0,1,0,0|1,0,0]=3 16310 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [0,1,0,1,0,0|1,0,0]=3 16311 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [0,1,0,1,0,0|2,0,0]=4 16312 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [0,1,0,1,0,0|2,0,0]=4 16313 B10R1.21 C=CCOCC1CCNC1 34a_100000748654_100015514636 [0,1,0,1,0,0|2,0,0]=4 16314 B10R1.21 C=CCOCC1CCOC1 34a_100000740260_100015514636 [0,1,0,1,0,0|2,0,0]=4 16315 B10R1.21 C=CCOCC1CCOC1 34a_200000210373_100011261433 [0,1,0,1,0,0|2,0,0]=4 16316 B10R1.21 C=CCOC[C@H]1CCCN1 34a_100000745186_100015514636 [0,1,0,1,0,0|2,0,0]=4 16317 B10R1.21 C=CCSCC1CCCC1 62a_100000210623_100000740388 [0,1,0,1,0,0|1,0,0]=3 16318 B10R1.21 C=CCSCC1CCCC1 62a_100000740388_100000210623 [0,1,0,1,0,0|1,0,0]=3 16319 B10R1.21 C=CCSCC1CCCO1 62a_100000203698_100000210623 [0,1,0,1,0,0|2,0,0]=4 16320 B10R1.21 C=CCSCC1CCCO1 62a_100000210623_100000203698 [0,1,0,1,0,0|2,0,0]=4 16321 B10R1.21 C=CCSCC1CCOC1 62a_100000210623_100000702531 [0,1,0,1,0,0|2,0,0]=4 16322 B10R1.21 C=CCSCC1CCOC1 62a_100000702531_100000210623 [0,1,0,1,0,0|2,0,0]=4 16323 B10R1.21 C=COCCN1CCCC1 2230a_100000188435_100000039644 [0,1,0,1,0,0|2,0,0]=4 16324 B10R1.21 C=COCCN1CCCC1 269982a_100000188435_100000039644 [0,1,0,1,0,0|2,0,0]=4 16325 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [0,1,0,1,0,0|1,0,1]=4 16326 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [0,1,0,1,0,0|1,0,1]=4 16327 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [0,1,0,1,0,0|1,0,1]=4 16328 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [0,1,0,1,0,0|1,0,1]=4 16329 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [0,1,0,1,0,0|1,0,1]=4 16330 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [0,1,0,1,0,0|1,0,1]=4 16331 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [0,1,0,1,0,0|1,0,1]=4 16332 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [0,1,0,1,0,0|1,0,1]=4 16333 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [0,1,0,1,0,0|1,0,1]=4 16334 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [0,1,0,1,0,0|2,0,0]=4 16335 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [0,1,0,1,0,0|2,0,0]=4 16336 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [0,1,0,1,0,0|1,0,1]=4 16337 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [0,1,0,1,0,0|1,0,1]=4 16338 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [0,1,0,1,0,0|1,0,1]=4 16339 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [0,1,0,1,0,0|1,0,1]=4 16340 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [0,1,0,1,0,0|1,0,1]=4 16341 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [0,1,0,1,0,0|1,0,1]=4 16342 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [0,1,0,1,0,0|2,0,0]=4 16343 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [0,1,0,1,0,0|2,0,0]=4 16344 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [0,1,0,1,0,0|2,0,0]=4 16345 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [0,1,0,1,0,0|2,0,0]=4 16346 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [0,1,0,1,0,0|2,0,0]=4 16347 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [0,1,0,1,0,0|2,0,0]=4 16348 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [0,1,0,1,0,0|2,0,0]=4 16349 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [0,1,0,1,0,0|1,0,1]=4 16350 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [0,1,0,1,0,0|1,0,1]=4 16351 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [0,1,0,1,0,0|1,0,1]=4 16352 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [0,1,0,1,0,0|1,0,1]=4 16353 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,1,0,1,0,0|0,0,2]=4 16354 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [0,1,0,1,0,0|2,0,0]=4 16355 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [0,1,0,1,0,0|2,0,0]=4 16356 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [0,1,0,1,0,0|2,0,0]=4 16357 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [0,1,0,1,0,0|2,0,0]=4 16358 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [0,1,0,1,0,0|1,0,1]=4 16359 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [0,1,0,1,0,0|1,0,1]=4 16360 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [0,1,0,1,0,0|2,0,0]=4 16361 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [0,1,0,1,0,0|1,0,1]=4 16362 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [0,1,0,1,0,0|1,0,1]=4 16363 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [0,1,0,1,0,0|1,0,1]=4 16364 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [0,1,0,1,0,0|2,0,0]=4 16365 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [0,1,0,1,0,0|2,0,0]=4 16366 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,1,0,1,0,0|0,0,2]=4 16367 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,1,0,1,0,0|0,0,2]=4 16368 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [0,1,0,1,0,0|1,0,1]=4 16369 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,1,0,1,0,0|1,0,1]=4 16370 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,1,0,1,0,0|1,0,1]=4 16371 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,1,0,1,0,0|1,0,1]=4 16372 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,1,0,1,0,0|0,0,2]=4 16373 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,1,0,1,0,0|0,0,2]=4 16374 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [0,1,0,1,0,0|2,0,0]=4 16375 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [0,1,0,1,0,0|2,0,0]=4 16376 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [0,1,0,1,0,0|2,0,0]=4 16377 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [0,1,0,1,0,0|1,0,1]=4 16378 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [0,1,0,1,0,0|1,0,1]=4 16379 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [0,1,0,1,0,0|1,0,1]=4 16380 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,1,0,1,0,0|0,0,2]=4 16381 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,1,0,1,0,0|0,0,2]=4 16382 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [0,1,0,1,0,0|2,0,0]=4 16383 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [0,1,0,1,0,0|2,0,0]=4 16384 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [0,1,0,1,0,0|1,0,1]=4 16385 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [0,1,0,1,0,0|1,0,1]=4 16386 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [0,1,0,1,0,0|1,0,1]=4 16387 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [0,1,0,1,0,0|1,0,1]=4 16388 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [0,1,0,1,0,0|1,0,1]=4 16389 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [0,1,0,1,0,0|1,0,1]=4 16390 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [0,1,0,1,0,0|2,0,0]=4 16391 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [0,1,0,1,0,0|2,0,0]=4 16392 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [0,1,0,1,0,0|1,0,1]=4 16393 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [0,1,0,1,0,0|1,0,1]=4 16394 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [0,1,0,1,0,0|1,0,1]=4 16395 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [0,1,0,1,0,0|1,0,1]=4 16396 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [0,1,0,1,0,0|1,0,1]=4 16397 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [0,1,0,1,0,0|1,0,1]=4 16398 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [0,1,0,1,0,0|1,0,1]=4 16399 B10R1.21 CNCCCN1CCCC1 2230a_106832991635_100011445909 [0,1,0,1,0,0|2,0,0]=4 16400 B10R1.21 CNCCCN1CCCC1 34a_100102657272_100016991639 [0,1,0,1,0,0|2,0,0]=4 16401 B10R1.21 CNCCCN1CCCC1 7a_106832991635_100011445909 [0,1,0,1,0,0|2,0,0]=4 16402 B10R1.21 CNCCOC1CCCC1 34a_100000741755_200000210301 [0,1,0,1,0,0|2,0,0]=4 16403 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [0,1,0,1,0,0|0,0,2]=4 16404 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [0,1,0,1,0,0|0,0,2]=4 16405 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [0,1,0,1,0,0|0,0,2]=4 16406 B10R1.21 COCCCN1CCCC1 2230a_100000188435_100000740836 [0,1,0,1,0,0|2,0,0]=4 16407 B10R1.21 COCCCN1CCCC1 269982a_100000188435_100000740836 [0,1,0,1,0,0|2,0,0]=4 16408 B10R1.21 COCCCN1CCCC1 34a_100138415774_100016991639 [0,1,0,1,0,0|2,0,0]=4 16409 B10R1.21 COCCNC1CCCC1 2230a_100000209980_100000179811 [0,1,0,1,0,0|2,0,0]=4 16410 B10R1.21 COCCNC1CCCC1 2230a_100000211070_100011201679 [0,1,0,1,0,0|2,0,0]=4 16411 B10R1.21 COCCNC1CCCC1 270004a_100000209980_100000210133 [0,1,0,1,0,0|2,0,0]=4 16412 B10R1.21 COCCNC1CCCC1 34a_100000211070_100011201679 [0,1,0,1,0,0|2,0,0]=4 16413 B10R1.21 COCCNC1CCCC1 34a_200000200444_200000210301 [0,1,0,1,0,0|2,0,0]=4 16414 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [0,1,0,1,0,0|2,0,0]=4 16415 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [0,1,0,1,0,0|2,0,0]=4 16416 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [0,1,0,1,0,0|2,0,0]=4 16417 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [0,1,0,1,0,0|2,0,0]=4 16418 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [0,1,0,1,0,0|2,0,0]=4 16419 B10R1.21 COCCSC1CCCC1 62a_100000233755_100000179811 [0,1,0,1,0,0|2,0,0]=4 16420 B10R1.21 COCCSC1CCCC1 62a_100011217020_100000233755 [0,1,0,1,0,0|2,0,0]=4 16421 B10R1.21 COCNCC1CCCC1 2230a_100000737975_100000766300 [0,1,0,1,0,0|2,0,0]=4 16422 B10R1.21 COCSCC1CCCC1 62a_100000740388_100000766300 [0,1,0,1,0,0|2,0,0]=4 16423 B10R1.21 COCSCC1CCCC1 62a_100000766300_100000740388 [0,1,0,1,0,0|2,0,0]=4 16424 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [0,1,0,1,0,0|0,1,1]=4 16425 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [0,1,0,1,0,0|0,1,1]=4 16426 B10R1.21 CSCCCN1CCCC1 62a_100016991639_200000210301 [0,1,0,1,0,0|2,0,0]=4 16427 B10R1.21 CSCCCN1CCCC1 62a_200000210301_100011445909 [0,1,0,1,0,0|2,0,0]=4 16428 B10R1.21 CSCCNC1CCCC1 2230a_100000211070_100000751147 [0,1,0,1,0,0|2,0,0]=4 16429 B10R1.21 CSCCNC1CCCC1 2230a_100020590264_100000179811 [0,1,0,1,0,0|2,0,0]=4 16430 B10R1.21 CSCCNC1CCCC1 270004a_100020590264_100000210133 [0,1,0,1,0,0|2,0,0]=4 16431 B10R1.21 CSCCNC1CCCC1 34a_100000211070_100000212216 [0,1,0,1,0,0|2,0,0]=4 16432 B10R1.21 CSCCOC1CCCC1 34a_100000210269_100000212216 [0,1,0,1,0,0|2,0,0]=4 16433 B10R1.21 CSCCOC1CCCC1 34a_100000230434_100000179811 [0,1,0,1,0,0|2,0,0]=4 16434 B10R1.21 CSCCOC1CCCC1 7a_100000210269_100000212216 [0,1,0,1,0,0|2,0,0]=4 16435 B10R1.21 CSCCOC1CCCC1 7a_100000230434_100000179811 [0,1,0,1,0,0|2,0,0]=4 16436 B10R1.21 CSCCSC1CCCC1 62a_100000212216_100000179811 [0,1,0,1,0,0|2,0,0]=4 16437 B10R1.21 CSCCSC1CCCC1 62a_100011217020_100000751147 [0,1,0,1,0,0|2,0,0]=4 16438 B10R1.21 CSCNCC1CCCC1 2230a_100000737975_100011218213 [0,1,0,1,0,0|2,0,0]=4 16439 B10R1.21 CSCNCC1CCCC1 34a_100000737975_100011218213 [0,1,0,1,0,0|2,0,0]=4 16440 B10R1.21 CSCOCC1CCCC1 34a_100000742336_100011218213 [0,1,0,1,0,0|2,0,0]=4 16441 B10R1.21 CSCSCC1CCCC1 62a_100000740388_100011218213 [0,1,0,1,0,0|2,0,0]=4 16442 B10R1.21 CSCSCC1CCCC1 62a_100011218213_100000740388 [0,1,0,1,0,0|2,0,0]=4 16443 B10R1.21 ClCCCOC1CCCC1 34a_100000230001_100000179811 [0,1,0,1,0,0|1,0,1]=4 16444 B10R1.21 FCCCCN1CCCC1 2230a_100000188435_100000729493 [0,1,0,1,0,0|1,0,1]=4 16445 B10R1.21 FCCCCN1CCCC1 269982a_100000188435_100000729493 [0,1,0,1,0,0|1,0,1]=4 16446 B10R1.21 FCCCNC1CCCC1 2230a_100000211070_100011934791 [0,1,0,1,0,0|1,0,1]=4 16447 B10R1.21 FCCCNC1CCCC1 2230a_100015189416_100000179811 [0,1,0,1,0,0|1,0,1]=4 16448 B10R1.21 FCCCNC1CCCC1 270004a_100015189416_100000210133 [0,1,0,1,0,0|1,0,1]=4 16449 B10R1.21 FCCCNC1CCCC1 34a_100000211070_100011934791 [0,1,0,1,0,0|1,0,1]=4 16450 B10R1.21 FCCCNC1CCCC1 34a_100015189416_100000179811 [0,1,0,1,0,0|1,0,1]=4 16451 B10R1.21 FCCCOC1CCCC1 34a_100000210269_100011934791 [0,1,0,1,0,0|1,0,1]=4 16452 B10R1.21 FCCCOC1CCCC1 34a_100000759539_100000179811 [0,1,0,1,0,0|1,0,1]=4 16453 B10R1.21 FCCCOC1CCCC1 7a_100000210269_100011934791 [0,1,0,1,0,0|1,0,1]=4 16454 B10R1.21 FCCCSC1CCCC1 62a_100011217020_100011934791 [0,1,0,1,0,0|1,0,1]=4 16455 B10R1.21 FCCCSC1CCCC1 62a_100011934791_100000179811 [0,1,0,1,0,0|1,0,1]=4 16456 B10R1.21 FCCNCC1CCCC1 2230a_100000737975_100011217306 [0,1,0,1,0,0|1,0,1]=4 16457 B10R1.21 FCCNCC1CCCC1 269862a_100000724931_100000746403 [0,1,0,1,0,0|1,0,1]=4 16458 B10R1.21 FCCNCC1CCCC1 34a_100000724931_100000740388 [0,1,0,1,0,0|1,0,1]=4 16459 B10R1.21 FCCNCC1CCCC1 34a_100000737975_100011217306 [0,1,0,1,0,0|1,0,1]=4 16460 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [0,1,0,1,0,0|1,0,1]=4 16461 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [0,1,0,1,0,0|1,0,1]=4 16462 B10R1.21 FCCSCC1CCCC1 62a_100000740388_100011217306 [0,1,0,1,0,0|1,0,1]=4 16463 B10R1.21 FCCSCC1CCCC1 62a_100011217306_100000740388 [0,1,0,1,0,0|1,0,1]=4 16464 B10R1.21 FCNCCC1CCCC1 34a_100000739158_100015361967 [0,1,0,1,0,0|1,0,1]=4 16465 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [0,1,0,1,0,0|1,0,1]=4 16466 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [0,1,0,1,0,0|1,0,1]=4 16467 B10R1.21 FCSCCC1CCCC1 62a_100000760354_100015361967 [0,1,0,1,0,0|1,0,1]=4 16468 B10R1.21 FCSCCC1CCCC1 62a_100015361967_100000760354 [0,1,0,1,0,0|1,0,1]=4 16469 B10R1.21 N#CCCCN1CCCC1 2230a_100000188435_100000687738 [0,1,0,1,0,0|1,0,1]=4 16470 B10R1.21 N#CCCCN1CCCC1 269982a_100000188435_100000687738 [0,1,0,1,0,0|1,0,1]=4 16471 B10R1.21 N#CCCNC1CCCC1 2230a_100000211070_100011215226 [0,1,0,1,0,0|1,0,1]=4 16472 B10R1.21 N#CCCNC1CCCC1 270004a_100000720768_100000210133 [0,1,0,1,0,0|1,0,1]=4 16473 B10R1.21 N#CCCOC1CCCC1 7a_100000210269_100000184422 [0,1,0,1,0,0|1,0,1]=4 16474 B10R1.21 N#CCCSC1CCCC1 62a_100011215226_100000179811 [0,1,0,1,0,0|1,0,1]=4 16475 B10R1.21 N#CCCSC1CCCC1 62a_100011217020_100011215226 [0,1,0,1,0,0|1,0,1]=4 16476 B10R1.21 N#CCNCC1CCCC1 2230a_100000737975_100011215382 [0,1,0,1,0,0|1,0,1]=4 16477 B10R1.21 N#CCOCC1CCCC1 7a_100000742336_100011215382 [0,1,0,1,0,0|1,0,1]=4 16478 B10R1.21 N#CCSCC1CCCC1 62a_100000740388_100011215382 [0,1,0,1,0,0|1,0,1]=4 16479 B10R1.21 N#CCSCC1CCCC1 62a_100011215382_100000740388 [0,1,0,1,0,0|1,0,1]=4 16480 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [0,1,0,1,0,0|1,0,1]=4 16481 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [0,1,0,1,0,0|1,0,1]=4 16482 B10R1.21 NOCCOC1CCCC1 34a_100000700252_100000179811 [0,1,0,1,0,0|2,0,0]=4 16483 B10R1.21 O=CCCCN1CC=CC1 269982a_100015195280_200011292268 [0,1,0,1,0,0|0,0,2]=4 16484 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [0,1,0,1,0,0|0,0,0]=2 16485 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [0,1,0,1,0,0|0,0,0]=2 16486 B10R1.21 O=CCCCN1CCSC1 2230a_100011215254_200011292268 [0,1,0,1,0,0|1,0,0]=3 16487 B10R1.21 O=CCCCN1CCSC1 269982a_100011215254_200011292268 [0,1,0,1,0,0|1,0,0]=3 16488 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [0,1,0,1,0,0|0,0,0]=2 16489 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [0,1,0,1,0,0|0,0,0]=2 16490 B10R1.21 O=CCNCC1CCOC1 2230a_100000737293_200015260668 [0,1,0,1,0,0|1,0,0]=3 16491 B10R1.21 O=CCNCC1CCOC1 34a_100000737293_200009817547 [0,1,0,1,0,0|1,0,0]=3 16492 B10R1.21 O=CCNCC1OCCO1 2230a_100000036311_200015260668 [0,1,0,1,0,0|2,0,0]=4 16493 B10R1.21 O=CCNCC1OCCO1 34a_100000036311_200009817547 [0,1,0,1,0,0|2,0,0]=4 16494 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [0,1,0,1,0,0|1,0,0]=3 16495 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [0,1,0,1,0,0|1,0,0]=3 16496 B10R1.21 O=CCOCC1CC=CC1 34a_100000688395_200009817547 [0,1,0,1,0,0|0,0,2]=4 16497 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [0,1,0,1,0,0|0,0,0]=2 16498 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [0,1,0,1,0,0|0,0,0]=2 16499 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [0,1,0,1,0,0|1,0,0]=3 16500 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [0,1,0,1,0,0|1,0,0]=3 16501 B10R1.21 O=CCOCC1CCNC1 34a_100000748654_200009817547 [0,1,0,1,0,0|1,0,0]=3 16502 B10R1.21 O=CCOCC1CCOC1 34a_100000740260_200009817547 [0,1,0,1,0,0|1,0,0]=3 16503 B10R1.21 O=CCOCC1COCO1 34a_100011216627_200009817547 [0,1,0,1,0,0|2,0,0]=4 16504 B10R1.21 O=CCOCC1OCCO1 34a_100000087154_200009817547 [0,1,0,1,0,0|2,0,0]=4 16505 B10R1.21 O=CCOC[C@H]1CCCN1 34a_100000745186_200009817547 [0,1,0,1,0,0|1,0,0]=3 16506 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [0,1,0,1,0,0|0,0,0]=2 16507 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [0,1,0,1,0,0|0,0,0]=2 16508 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [0,1,0,1,0,0|1,0,0]=3 16509 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [0,1,0,1,0,0|1,0,0]=3 16510 B10R1.21 O=CCSCC1CCOC1 62a_100000702531_200015260668 [0,1,0,1,0,0|1,0,0]=3 16511 B10R1.21 O=CCSCC1CCOC1 62a_200015260668_100000702531 [0,1,0,1,0,0|1,0,0]=3 16512 B10R1.21 O=CCSCC1OCCO1 62a_100000755774_200015260668 [0,1,0,1,0,0|2,0,0]=4 16513 B10R1.21 O=CCSCC1OCCO1 62a_200015260668_100000755774 [0,1,0,1,0,0|2,0,0]=4 16514 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [0,1,0,1,0,0|0,0,2]=4 16515 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [0,1,0,1,0,0|0,0,2]=4 16516 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [0,1,0,1,0,0|0,0,2]=4 16517 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [0,1,0,1,0,0|0,0,2]=4 16518 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [0,1,0,1,0,0|0,0,2]=4 16519 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [0,1,0,1,0,0|0,0,2]=4 16520 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [0,1,0,1,0,0|0,0,2]=4 16521 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [0,1,0,1,0,0|0,0,2]=4 16522 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [0,1,0,1,0,0|0,0,2]=4 16523 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [0,1,0,1,0,0|0,0,2]=4 16524 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [0,1,0,1,0,0|0,0,2]=4 16525 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [0,1,0,1,0,0|0,0,2]=4 16526 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [0,1,0,1,0,0|0,0,2]=4 16527 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [0,1,0,1,0,0|0,0,2]=4 16528 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [0,1,0,1,0,0|0,0,2]=4 16529 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [0,1,0,1,0,0|0,0,2]=4 16530 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [0,1,0,1,0,0|0,0,2]=4 16531 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [0,1,0,1,0,0|0,0,2]=4 16532 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [0,1,0,1,0,0|1,0,1]=4 16533 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [0,1,0,1,0,0|1,0,1]=4 16534 B10R1.21 [13CH3]NCCOC1CCCC1 34a_100000741755_200025704644 [0,1,0,1,0,0|2,0,0]=4 16535 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [0,1,0,1,0,0|0,0,2]=4 16536 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [0,1,0,1,0,0|0,0,2]=4 16537 B10R1.21 [13CH3]OCCNC1CCCC1 34a_200000200444_200025704644 [0,1,0,1,0,0|2,0,0]=4 16538 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [0,1,0,1,0,0|2,0,0]=4 16539 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [0,1,0,1,0,0|2,0,0]=4 16540 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [0,1,0,1,0,0|0,1,1]=4 16541 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [0,1,0,1,0,0|0,1,1]=4 16542 B10R1.21 [13CH3]SCCCN1CCCC1 62a_100016991639_200025704644 [0,1,0,1,0,0|2,0,0]=4 16543 B10R1.21 [13CH3]SCCCN1CCCC1 62a_200025704644_100011445909 [0,1,0,1,0,0|2,0,0]=4 16544 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [0,1,0,1,0,0|2,0,0]=4 16545 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [0,1,0,1,0,0|2,0,0]=4 16546 B10R1.25 CCN1CCN(CC1=O)C 2230a_100000701330_200000210301 [0,1,0,1,0,0|2,0,0]=4 16547 B10R1.25 CCN1CCN(CC1=O)C 269982a_100000701330_200000210301 [0,1,0,1,0,0|2,0,0]=4 16548 B10R1.25 CCN1CCN(CC1=O)[13CH3] 2230a_100000701330_200025704644 [0,1,0,1,0,0|2,0,0]=4 16549 B10R1.25 CCN1CCN(CC1=O)[13CH3] 269982a_100000701330_200025704644 [0,1,0,1,0,0|2,0,0]=4 16550 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [0,1,0,1,0,0|2,0,0]=4 16551 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [0,1,0,1,0,0|2,0,0]=4 16552 B10R1.29 C#CCCN1CCC[C@@H]1C 2230a_100020605311_100000688953 [0,1,0,1,0,0|1,0,1]=4 16553 B10R1.29 C#CCCN1CCC[C@@H]1C 269982a_100020605311_100000730999 [0,1,0,1,0,0|1,0,1]=4 16554 B10R1.29 C#CCCN1CCC[C@H]1C 2230a_100015189458_100000688953 [0,1,0,1,0,0|1,0,1]=4 16555 B10R1.29 C#CCCN1CCC[C@H]1C 269982a_100015189458_100000730999 [0,1,0,1,0,0|1,0,1]=4 16556 B10R1.29 C#CCCN1CCC[C@H]1C 34a_100015189458_100000688953 [0,1,0,1,0,0|1,0,1]=4 16557 B10R1.29 C#CCNC1CCCC1=O 34a_100000212058_100000709159 [0,1,0,1,0,0|0,0,2]=4 16558 B10R1.29 C#CCOC1CCCC1=O 34a_100000210247_100000709159 [0,1,0,1,0,0|0,0,2]=4 16559 B10R1.29 C#CCOC1CCCC1=O 34a_200000719330_100000184674 [0,1,0,1,0,0|0,0,2]=4 16560 B10R1.29 C#CCOC1CCCC1C 34a_100011216460_100000184674 [0,1,0,1,0,0|1,0,1]=4 16561 B10R1.29 C#CCOC1CCCC1C 7a_100011216460_100000038162 [0,1,0,1,0,0|1,0,1]=4 16562 B10R1.29 C#CCSC1CCCC1=O 62a_100000038162_100000211823 [0,1,0,1,0,0|0,0,2]=4 16563 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [0,1,0,1,0,0|1,0,1]=4 16564 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [0,1,0,1,0,0|1,0,1]=4 16565 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [0,1,0,1,0,0|1,0,1]=4 16566 B10R1.29 C=CCCN1CCC[C@@H]1C 2230a_100020605311_100000754431 [0,1,0,1,0,0|1,0,0]=3 16567 B10R1.29 C=CCCN1CCC[C@@H]1C 269982a_100020605311_100000754431 [0,1,0,1,0,0|1,0,0]=3 16568 B10R1.29 C=CCCN1CCC[C@H]1C 2230a_100015189458_100000754431 [0,1,0,1,0,0|1,0,0]=3 16569 B10R1.29 C=CCCN1CCC[C@H]1C 269982a_100015189458_100000754431 [0,1,0,1,0,0|1,0,0]=3 16570 B10R1.29 C=CCCN1CCC[C@H]1C 34a_100015189458_100000754431 [0,1,0,1,0,0|1,0,0]=3 16571 B10R1.29 C=CCCN1CCSC1C 2230a_200011216479_100000754431 [0,1,0,1,0,0|2,0,0]=4 16572 B10R1.29 C=CCCN1CCSC1C 269982a_200011216479_100000754431 [0,1,0,1,0,0|2,0,0]=4 16573 B10R1.29 C=CCCN1CCSC1C 34a_200011216479_100000754431 [0,1,0,1,0,0|2,0,0]=4 16574 B10R1.29 C=CCNC1CCCC1=O 2230a_100020586998_100000211823 [0,1,0,1,0,0|0,0,2]=4 16575 B10R1.29 C=CCNC1CCOC1C 270004a_100020586998_100000691750 [0,1,0,1,0,0|2,0,0]=4 16576 B10R1.29 C=CCOC1CCCC1=O 34a_200000210373_100000709159 [0,1,0,1,0,0|0,0,2]=4 16577 B10R1.29 C=CCOC1CCCC1=O 34a_200000719330_100015514636 [0,1,0,1,0,0|0,0,2]=4 16578 B10R1.29 C=CCOC1CCCC1C 34a_100011216460_100015514636 [0,1,0,1,0,0|1,0,0]=3 16579 B10R1.29 C=CCOC1CCCC1C 7a_100011216460_100015514636 [0,1,0,1,0,0|1,0,0]=3 16580 B10R1.29 C=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015514636 [0,1,0,1,0,0|2,0,0]=4 16581 B10R1.29 C=CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100015514636 [0,1,0,1,0,0|2,0,0]=4 16582 B10R1.29 C=CCO[C@H]1CNC[C@H]1C 34a_200015306588_100015514636 [0,1,0,1,0,0|2,0,0]=4 16583 B10R1.29 C=CCSC1CCCC1=O 62a_100000210623_100000211823 [0,1,0,1,0,0|0,0,2]=4 16584 B10R1.29 C=CCSC1CCCC1=O 62a_100000211823_100000210623 [0,1,0,1,0,0|0,0,2]=4 16585 B10R1.29 C=CCS[C@@H]1CCC[C@H]1O 62a_100000210623_200016002552 [0,1,0,1,0,0|2,0,0]=4 16586 B10R1.29 C=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210623 [0,1,0,1,0,0|2,0,0]=4 16587 B10R1.29 CC1CCCC1NCCF 269862a_100000724931_100000752053 [0,1,0,1,0,0|1,0,1]=4 16588 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [0,1,0,1,0,0|0,0,2]=4 16589 B10R1.29 CC1CCCC1OCC#N 7a_100011216460_100011215382 [0,1,0,1,0,0|1,0,1]=4 16590 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [0,1,0,1,0,0|0,0,0]=2 16591 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [0,1,0,1,0,0|0,0,0]=2 16592 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [0,1,0,1,0,0|1,0,1]=4 16593 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [0,1,0,1,0,0|1,0,1]=4 16594 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,1,0,1,0,0|0,0,2]=4 16595 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,1,0,1,0,0|0,0,2]=4 16596 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [0,1,0,1,0,0|1,0,1]=4 16597 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [0,1,0,1,0,0|1,0,1]=4 16598 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [0,1,0,1,0,0|1,0,1]=4 16599 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [0,1,0,1,0,0|2,0,0]=4 16600 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [0,1,0,1,0,0|2,0,0]=4 16601 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [0,1,0,1,0,0|2,0,0]=4 16602 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [0,1,0,1,0,0|2,0,0]=4 16603 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [0,1,0,1,0,0|2,0,0]=4 16604 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [0,1,0,1,0,0|2,0,0]=4 16605 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [0,1,0,1,0,0|1,0,1]=4 16606 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [0,1,0,1,0,0|1,0,1]=4 16607 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [0,1,0,1,0,0|1,0,1]=4 16608 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [0,1,0,1,0,0|1,0,1]=4 16609 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [0,1,0,1,0,0|1,0,1]=4 16610 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [0,1,0,1,0,0|1,0,1]=4 16611 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,1,0,1,0,0|1,0,0]=3 16612 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,1,0,1,0,0|1,0,0]=3 16613 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,1,0,1,0,0|2,0,0]=4 16614 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,1,0,1,0,0|2,0,0]=4 16615 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,1,0,0|0,0,0]=2 16616 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,1,0,0|0,0,0]=2 16617 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,1,0,1,0,0|1,0,1]=4 16618 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,1,0,1,0,0|1,0,1]=4 16619 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|1,0,0]=3 16620 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [0,1,0,1,0,0|1,0,1]=4 16621 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [0,1,0,1,0,0|1,0,1]=4 16622 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,1,0,1,0,0|1,0,0]=3 16623 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,1,0,0|0,0,0]=2 16624 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,1,0,0|0,0,0]=2 16625 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|1,0,0]=3 16626 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|1,0,0]=3 16627 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,1,0,1,0,0|0,0,2]=4 16628 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,1,0,1,0,0|0,0,2]=4 16629 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [0,1,0,1,0,0|0,0,2]=4 16630 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [0,1,0,1,0,0|2,0,0]=4 16631 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,1,0,1,0,0|1,0,0]=3 16632 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,1,0,1,0,0|1,0,0]=3 16633 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,1,0,1,0,0|1,0,0]=3 16634 B10R1.29 CN1CCCC1CCO[13CH3] 34a_100011215177_200025704644 [0,1,0,1,0,0|2,0,0]=4 16635 B10R1.29 CN1CCCC1CCO[13CH3] 7a_100011215177_200025704644 [0,1,0,1,0,0|2,0,0]=4 16636 B10R1.29 CN1CCCC1CCS[13CH3] 62a_100000005710_200025704644 [0,1,0,1,0,0|2,0,0]=4 16637 B10R1.29 CN1CCCC1CCS[13CH3] 62a_200025704644_100000005710 [0,1,0,1,0,0|2,0,0]=4 16638 B10R1.29 CNCCC1CCCN1C 2230a_106832991635_100000005710 [0,1,0,1,0,0|2,0,0]=4 16639 B10R1.29 CNCCC1CCCN1C 34a_100102657272_100000005710 [0,1,0,1,0,0|2,0,0]=4 16640 B10R1.29 CNCCC1CCCN1C 7a_106832991635_100000005710 [0,1,0,1,0,0|2,0,0]=4 16641 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [0,1,0,1,0,0|1,0,0]=3 16642 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [0,1,0,1,0,0|1,0,0]=3 16643 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [0,1,0,1,0,0|1,0,0]=3 16644 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [0,1,0,1,0,0|1,0,0]=3 16645 B10R1.29 CNCCN1CCNC1=O 2230a_100011207550_200000210301 [0,1,0,1,0,0|2,0,0]=4 16646 B10R1.29 CNCCN1CCNC1=O 2230a_106832991635_100000090651 [0,1,0,1,0,0|2,0,0]=4 16647 B10R1.29 CNCCN1CCNC1=O 7a_106832991635_100000090651 [0,1,0,1,0,0|2,0,0]=4 16648 B10R1.29 COCCC1CCCN1C 34a_100011215177_200000210301 [0,1,0,1,0,0|2,0,0]=4 16649 B10R1.29 COCCC1CCCN1C 34a_100138415774_100000005710 [0,1,0,1,0,0|2,0,0]=4 16650 B10R1.29 COCCC1CCCN1C 7a_100011215177_200000210301 [0,1,0,1,0,0|2,0,0]=4 16651 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [0,1,0,1,0,0|1,0,0]=3 16652 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [0,1,0,1,0,0|1,0,0]=3 16653 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [0,1,0,1,0,0|1,0,0]=3 16654 B10R1.29 COCCN1CCC[C@@H]1C 2230a_100020605311_100011201679 [0,1,0,1,0,0|2,0,0]=4 16655 B10R1.29 COCCN1CCC[C@@H]1C 269982a_100020605311_100000233755 [0,1,0,1,0,0|2,0,0]=4 16656 B10R1.29 COCCN1CCC[C@H]1C 2230a_100015189458_100011201679 [0,1,0,1,0,0|2,0,0]=4 16657 B10R1.29 COCCN1CCC[C@H]1C 269982a_100015189458_100000233755 [0,1,0,1,0,0|2,0,0]=4 16658 B10R1.29 COCCN1CCC[C@H]1C 34a_100015189458_100011201679 [0,1,0,1,0,0|2,0,0]=4 16659 B10R1.29 COCCN1CCNC1=O 34a_100000216532_200000210301 [0,1,0,1,0,0|2,0,0]=4 16660 B10R1.29 COCNC1CCNC1=O 2230a_100016995588_100000766300 [0,1,0,1,0,0|2,0,0]=4 16661 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,1,0,1,0,0|1,0,0]=3 16662 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,1,0,1,0,0|1,0,0]=3 16663 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,1,0,1,0,0|2,0,0]=4 16664 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,1,0,1,0,0|2,0,0]=4 16665 B10R1.29 CSCCC1CCCN1C 62a_100000005710_200000210301 [0,1,0,1,0,0|2,0,0]=4 16666 B10R1.29 CSCCC1CCCN1C 62a_200000210301_100000005710 [0,1,0,1,0,0|2,0,0]=4 16667 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,1,0,1,0,0|1,0,0]=3 16668 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,1,0,1,0,0|1,0,0]=3 16669 B10R1.29 CSCCN1CCC[C@@H]1C 2230a_100020605311_100000751147 [0,1,0,1,0,0|2,0,0]=4 16670 B10R1.29 CSCCN1CCC[C@@H]1C 269982a_100020605311_100000212216 [0,1,0,1,0,0|2,0,0]=4 16671 B10R1.29 CSCCN1CCC[C@H]1C 2230a_100015189458_100000751147 [0,1,0,1,0,0|2,0,0]=4 16672 B10R1.29 CSCCN1CCC[C@H]1C 269982a_100015189458_100000212216 [0,1,0,1,0,0|2,0,0]=4 16673 B10R1.29 CSCCN1CCC[C@H]1C 34a_100015189458_100000212216 [0,1,0,1,0,0|2,0,0]=4 16674 B10R1.29 CSCCN1CCNC1=O 62a_100000090651_200000210301 [0,1,0,1,0,0|2,0,0]=4 16675 B10R1.29 CSCCN1CCNC1=O 62a_200000210301_100000090651 [0,1,0,1,0,0|2,0,0]=4 16676 B10R1.29 CSCNC1CCNC1=O 2230a_100016995588_100011218213 [0,1,0,1,0,0|2,0,0]=4 16677 B10R1.29 CSCNC1CCNC1=O 34a_100016995588_100011218213 [0,1,0,1,0,0|2,0,0]=4 16678 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,1,0,1,0,0|1,0,0]=3 16679 B10R1.29 CSCOC1CCCC1C 34a_100011216460_100011218213 [0,1,0,1,0,0|2,0,0]=4 16680 B10R1.29 CSCO[C@H]1CCNC1=O 34a_100000688343_100011218213 [0,1,0,1,0,0|2,0,0]=4 16681 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,1,0,1,0,0|1,0,0]=3 16682 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,1,0,1,0,0|1,0,0]=3 16683 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,1,0,1,0,0|2,0,0]=4 16684 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,1,0,1,0,0|2,0,0]=4 16685 B10R1.29 C[C@@H]1CCCN1CCC#N 2230a_100015189458_100011215226 [0,1,0,1,0,0|1,0,1]=4 16686 B10R1.29 C[C@@H]1CCCN1CCC#N 269982a_100015189458_100011215226 [0,1,0,1,0,0|1,0,1]=4 16687 B10R1.29 C[C@@H]1CCCN1CCCF 2230a_100015189458_100011934791 [0,1,0,1,0,0|1,0,1]=4 16688 B10R1.29 C[C@@H]1CCCN1CCCF 269982a_100015189458_100011934791 [0,1,0,1,0,0|1,0,1]=4 16689 B10R1.29 C[C@@H]1CCCN1CCCF 34a_100015189458_100011934791 [0,1,0,1,0,0|1,0,1]=4 16690 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [0,1,0,1,0,0|0,0,2]=4 16691 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [0,1,0,1,0,0|0,0,2]=4 16692 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [0,1,0,1,0,0|0,0,2]=4 16693 B10R1.29 C[C@@H]1CNC[C@@H]1OCC=O 34a_200015306588_200009817547 [0,1,0,1,0,0|1,0,0]=3 16694 B10R1.29 C[C@H]1CCCN1CCC#N 2230a_100020605311_100011215226 [0,1,0,1,0,0|1,0,1]=4 16695 B10R1.29 C[C@H]1CCCN1CCC#N 269982a_100020605311_100011215226 [0,1,0,1,0,0|1,0,1]=4 16696 B10R1.29 C[C@H]1CCCN1CCCF 2230a_100020605311_100011934791 [0,1,0,1,0,0|1,0,1]=4 16697 B10R1.29 C[C@H]1CCCN1CCCF 269982a_100020605311_100011934791 [0,1,0,1,0,0|1,0,1]=4 16698 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [0,1,0,1,0,0|0,0,2]=4 16699 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [0,1,0,1,0,0|0,0,2]=4 16700 B10R1.29 N#CCSC1CCCC1=O 62a_100000211823_100011215382 [0,1,0,1,0,0|1,0,1]=4 16701 B10R1.29 N#CCSC1CCCC1=O 62a_100011215382_100000211823 [0,1,0,1,0,0|1,0,1]=4 16702 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [0,1,0,1,0,0|1,0,0]=3 16703 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,1,0,1,0,0|2,0,0]=4 16704 B10R1.29 N[C@H]1CCC[C@@H]1OCC=O 34a_100000748460_200009817547 [0,1,0,1,0,0|1,0,0]=3 16705 B10R1.29 N[C@H]1COC[C@@H]1OCC=O 34a_100015191717_200009817547 [0,1,0,1,0,0|2,0,0]=4 16706 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [0,1,0,1,0,0|1,0,0]=3 16707 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,1,0,1,0,0|1,0,0]=3 16708 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,1,0,1,0,0|1,0,0]=3 16709 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [0,1,0,1,0,0|1,0,0]=3 16710 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [0,1,0,1,0,0|1,0,0]=3 16711 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,1,0,1,0,0|1,0,0]=3 16712 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [0,1,0,1,0,0|1,0,0]=3 16713 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [0,1,0,1,0,0|1,0,0]=3 16714 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,1,0,1,0,0|1,0,0]=3 16715 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,1,0,1,0,0|1,0,0]=3 16716 B10R1.29 O=C1CCCN1CSCF 62a_100000026320_100015361967 [0,1,0,1,0,0|2,0,0]=4 16717 B10R1.29 O=C1CCCN1CSCF 62a_100015361967_100000026320 [0,1,0,1,0,0|2,0,0]=4 16718 B10R1.29 O=C1NCCC1COCF 34a_100000133458_100015361967 [0,1,0,1,0,0|2,0,0]=4 16719 B10R1.29 O=C1NCCC1NCCF 2230a_100016995588_100011217306 [0,1,0,1,0,0|2,0,0]=4 16720 B10R1.29 O=C1NCCC1NCCF 34a_100016995588_100011217306 [0,1,0,1,0,0|2,0,0]=4 16721 B10R1.29 O=C1NCCC1NCCO 2230a_100016995588_100000211926 [0,1,0,1,0,0|2,0,0]=4 16722 B10R1.29 O=C1NCCC1NCCO 34a_100016995588_100000211926 [0,1,0,1,0,0|2,0,0]=4 16723 B10R1.29 O=C1NCC[C@@H]1OCCF 34a_100000688343_100011217306 [0,1,0,1,0,0|2,0,0]=4 16724 B10R1.29 O=C1NCC[C@@H]1OCCO 34a_100000688343_100000211926 [0,1,0,1,0,0|2,0,0]=4 16725 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,1,0,1,0,0|2,0,0]=4 16726 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,1,0,1,0,0|2,0,0]=4 16727 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,1,0,1,0,0|2,0,0]=4 16728 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 16729 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,1,0,1,0,0|2,0,0]=4 16730 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,1,0,1,0,0|2,0,0]=4 16731 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,1,0,1,0,0|2,0,0]=4 16732 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 16733 B10R1.29 O=CCN[C@H]1COC[C@@H]1O 2230a_100015191717_200015260668 [0,1,0,1,0,0|2,0,0]=4 16734 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [0,1,0,1,0,0|1,0,1]=4 16735 B10R1.29 O=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200009817547 [0,1,0,1,0,0|1,0,0]=3 16736 B10R1.29 O=CCSC1CCCC1=O 62a_100000211823_200015260668 [0,1,0,1,0,0|1,0,1]=4 16737 B10R1.29 O=CCSC1CCCC1=O 62a_200015260668_100000211823 [0,1,0,1,0,0|1,0,1]=4 16738 B10R1.29 O=CCSC1COCC1O 62a_200000725654_200015260668 [0,1,0,1,0,0|2,0,0]=4 16739 B10R1.29 O=CCSC1COCC1O 62a_200015260668_200000725654 [0,1,0,1,0,0|2,0,0]=4 16740 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200015260668_200016002552 [0,1,0,1,0,0|1,0,0]=3 16741 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_200015260668 [0,1,0,1,0,0|1,0,0]=3 16742 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [0,1,0,1,0,0|1,0,0]=3 16743 B10R1.29 [13CH3]NCCN1CCNC1=O 2230a_100011207550_200025704644 [0,1,0,1,0,0|2,0,0]=4 16744 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [0,1,0,1,0,0|1,0,0]=3 16745 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [0,1,0,1,0,0|1,0,0]=3 16746 B10R1.29 [13CH3]OCCN1CCNC1=O 34a_100000216532_200025704644 [0,1,0,1,0,0|2,0,0]=4 16747 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,1,0,1,0,0|1,0,0]=3 16748 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,1,0,1,0,0|1,0,0]=3 16749 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_100000090651_200025704644 [0,1,0,1,0,0|2,0,0]=4 16750 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_200025704644_100000090651 [0,1,0,1,0,0|2,0,0]=4 16751 B10R1.85 C#CCN1CCCCCC1 2230a_100000185865_100000038162 [0,1,0,1,0,0|1,0,1]=4 16752 B10R1.85 C#CCN1CCCCCC1 34a_100000185865_100000184674 [0,1,0,1,0,0|1,0,1]=4 16753 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [0,1,0,1,0,0|1,0,0]=3 16754 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [0,1,0,1,0,0|1,0,0]=3 16755 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [0,1,0,1,0,0|1,0,0]=3 16756 B10R1.85 C=CCN1CCCOCC1 2230a_100000685342_100000210623 [0,1,0,1,0,0|2,0,0]=4 16757 B10R1.85 C=CCN1CCCOCC1 269982a_100000685342_100000210623 [0,1,0,1,0,0|2,0,0]=4 16758 B10R1.85 C=CCN1CCCOCC1 34a_100000685342_100015514636 [0,1,0,1,0,0|2,0,0]=4 16759 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [0,1,0,1,0,0|1,0,1]=4 16760 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [0,1,0,1,0,0|1,0,1]=4 16761 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [0,1,0,1,0,0|1,0,1]=4 16762 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,1,0,1,0,0|1,0,1]=4 16763 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,1,0,1,0,0|1,0,1]=4 16764 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,1,0,1,0,0|1,0,1]=4 16765 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,1,0,1,0,0|1,0,1]=4 16766 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,1,0,1,0,0|1,0,1]=4 16767 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,1,0,1,0,0|1,0,1]=4 16768 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,1,0,1,0,0|1,0,1]=4 16769 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,1,0,1,0,0|1,0,1]=4 16770 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [0,1,0,1,0,0|1,0,1]=4 16771 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [0,1,0,1,0,0|1,0,1]=4 16772 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [0,1,0,1,0,0|1,0,1]=4 16773 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [0,1,0,1,0,0|1,0,1]=4 16774 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [0,1,0,1,0,0|1,0,1]=4 16775 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [0,1,0,1,0,0|1,0,1]=4 16776 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,1,0,1,0,0|0,0,2]=4 16777 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,1,0,1,0,0|0,0,2]=4 16778 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,1,0,1,0,0|0,0,2]=4 16779 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [0,1,0,1,0,0|2,0,0]=4 16780 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [0,1,0,1,0,0|2,0,0]=4 16781 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [0,1,0,1,0,0|0,1,1]=4 16782 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [0,1,0,1,0,0|0,1,1]=4 16783 B10R1.85 CSCN1CCCCCC1 2230a_100000185865_100011218213 [0,1,0,1,0,0|2,0,0]=4 16784 B10R1.85 CSCN1CCCCCC1 269982a_100000185865_100011218213 [0,1,0,1,0,0|2,0,0]=4 16785 B10R1.85 CSCN1CCCCCC1 34a_100000185865_100011218213 [0,1,0,1,0,0|2,0,0]=4 16786 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [0,1,0,1,0,0|1,0,1]=4 16787 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [0,1,0,1,0,0|1,0,1]=4 16788 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [0,1,0,1,0,0|1,0,1]=4 16789 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [0,1,0,1,0,0|1,0,1]=4 16790 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,1,0,1,0,0|1,0,1]=4 16791 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,1,0,1,0,0|1,0,1]=4 16792 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [0,1,0,1,0,0|1,0,1]=4 16793 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [0,1,0,1,0,0|1,0,1]=4 16794 B10R1.85 N#CCN1CCCCCC1 2230a_100000185865_100011215382 [0,1,0,1,0,0|1,0,1]=4 16795 B10R1.85 N#CCN1CCCCCC1 269982a_100000185865_100011214920 [0,1,0,1,0,0|1,0,1]=4 16796 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,1,0,1,0,0|0,0,0]=2 16797 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,1,0,1,0,0|0,0,0]=2 16798 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,1,0,1,0,0|0,0,0]=2 16799 B10R1.85 O=CCN1CCCOCC1 2230a_100000685342_200015260668 [0,1,0,1,0,0|1,0,0]=3 16800 B10R1.85 O=CCN1CCCOCC1 269982a_100000685342_200015260668 [0,1,0,1,0,0|1,0,0]=3 16801 B10R1.85 O=CCN1CCCOCC1 34a_100000685342_200009817547 [0,1,0,1,0,0|1,0,0]=3 16802 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,1,0,1,0,0|0,0,2]=4 16803 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,1,0,1,0,0|0,0,2]=4 16804 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,1,0,1,0,0|0,0,2]=4 16805 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [0,1,0,1,0,0|1,0,1]=4 16806 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [0,1,0,1,0,0|1,0,1]=4 16807 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,1,0,1,0,0|0,0,2]=4 16808 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,1,0,1,0,0|0,0,2]=4 16809 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [0,1,0,1,0,0|0,1,1]=4 16810 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [0,1,0,1,0,0|0,1,1]=4 16811 B10R1.92 CCOC1CN(C1)CC=O 269982a_100000732654_200015260668 [0,1,0,1,0,0|2,0,0]=4 16812 B10R1.92 CCOC1CN(C1)CC=O 34a_100000732654_200009817547 [0,1,0,1,0,0|2,0,0]=4 16813 B10R1.92 COCC1CN(C1)CC=O 2230a_100016993750_200015260668 [0,1,0,1,0,0|2,0,0]=4 16814 B10R1.92 COCC1CN(C1)CC=O 269982a_100016993750_200015260668 [0,1,0,1,0,0|2,0,0]=4 16815 B10R1.92 COCC1CN(C1)CC=O 34a_100016993750_200009817547 [0,1,0,1,0,0|2,0,0]=4 16816 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [0,1,0,1,0,0|2,0,0]=4 16817 B10R1.96 CO[C@@H]1CCN(C1)CC=O 2230a_100000766984_200015260668 [0,1,0,1,0,0|2,0,0]=4 16818 B10R1.96 CO[C@@H]1CCN(C1)CC=O 269982a_100000766984_200015260668 [0,1,0,1,0,0|2,0,0]=4 16819 B10R1.96 O=CCN1CCC(C1)CO 2230a_100000748654_200015260668 [0,1,0,1,0,0|2,0,0]=4 16820 B10R1.96 O=CCN1CCC(C1)CO 269982a_100000748654_200015260668 [0,1,0,1,0,0|2,0,0]=4 16821 B10R1.96 O=CCN1CCC(C1)CO 34a_100000748654_200009817547 [0,1,0,1,0,0|2,0,0]=4 16822 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,1,0,1,0,0|2,0,0]=4 16823 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,1,0,1,0,0|2,0,0]=4 16824 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,1,0,1,0,0|2,0,0]=4 16825 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,1,0,1,0,0|2,0,0]=4 16826 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [0,1,0,1,0,0|1,0,1]=4 16827 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [0,1,0,1,0,0|1,0,1]=4 16828 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [0,1,0,1,0,0|1,0,1]=4 16829 B10R1.137 C=CCN(C)CC1CCC1 2230a_100000225617_100000763275 [0,1,0,1,0,0|2,0,0]=4 16830 B10R1.137 C=CCN(C)CC1CCC1 2230a_200000750244_100000210623 [0,1,0,1,0,0|2,0,0]=4 16831 B10R1.137 C=CCN(C)CC1CCC1 269982a_100000225617_100000763275 [0,1,0,1,0,0|2,0,0]=4 16832 B10R1.137 C=CCN(C)CC1CCC1 269982a_200000750244_100000210623 [0,1,0,1,0,0|2,0,0]=4 16833 B10R1.137 C=CCN(C)CC1CCC1 34a_200000750244_100015514636 [0,1,0,1,0,0|2,0,0]=4 16834 B10R1.137 C=CC[C@@H](C)OC1CCC1 34a_100000731007_100000749161 [0,1,0,1,0,0|2,0,0]=4 16835 B10R1.137 CN(CC=O)CC1CCC1 2230a_200000750244_200015260668 [0,1,0,1,0,0|1,0,0]=3 16836 B10R1.137 CN(CC=O)CC1CCC1 269982a_200000750244_200015260668 [0,1,0,1,0,0|1,0,0]=3 16837 B10R1.137 CN(CC=O)CC1CCC1 34a_200000750244_200009817547 [0,1,0,1,0,0|1,0,0]=3 16838 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [0,1,0,1,0,0|1,0,1]=4 16839 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [0,1,0,1,0,0|1,0,1]=4 16840 B10R1.138 C=CCC(C)COC1CC1 34a_100009832082_100000211595 [0,1,0,1,0,0|2,0,0]=4 16841 B10R1.138 C=CCN(C)CCC1CC1 2230a_100000225617_100000694398 [0,1,0,1,0,0|2,0,0]=4 16842 B10R1.138 C=CCN(C)CCC1CC1 269982a_100000225617_100000694398 [0,1,0,1,0,0|2,0,0]=4 16843 B10R1.138 C=CC[C@@H](C)OCC1CC1 34a_100000731007_100000742324 [0,1,0,1,0,0|2,0,0]=4 16844 B10R1.138 C=CC[C@@H](C)OCC1CC1 7a_100000731007_100000742324 [0,1,0,1,0,0|2,0,0]=4 16845 B10R1.138 C=CC[C@@H](N)COC1CC1 34a_100020615467_100000211595 [0,1,0,1,0,0|2,0,0]=4 16846 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|0,0,1]=3 16847 B10R1.139 CCCN(C)C1CCC1=O 269982a_100000747261_100009892977 [0,1,0,1,0,0|1,0,0]=3 16848 B10R1.139 CN(CCO)C1CCC1=O 269982a_100000210263_100009892977 [0,1,0,1,0,0|2,0,0]=4 16849 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [0,1,0,1,0,0|1,0,1]=4 16850 B10R1.139 CSCC(=O)C1CCC1=O 1458a_100000184570_100009892977 [0,1,0,1,0,0|1,0,1]=4 16851 B10R1.139 O=C(CCO)C1CCC1=O 1458a_100011216618_100009892977 [0,1,0,1,0,0|1,0,1]=4 16852 B10R1.186 C=CCCCC(=O)C1CC1 1458a_100000210395_100000757094 [0,1,0,1,0,0|1,0,1]=4 16853 B10R1.186 C=CCCCN(C)C1CC1 2230a_100000226674_100011713584 [0,1,0,1,0,0|2,0,0]=4 16854 B10R1.186 C=CCCCN(C)C1CC1 269982a_100000226674_100000757094 [0,1,0,1,0,0|2,0,0]=4 16855 B10R1.186 C=CCCNC(C)C1CC1 2230a_100000700016_100000754431 [0,1,0,1,0,0|2,0,0]=4 16856 B10R1.186 C=CCCNC(C)C1CC1 269862a_100015191253_100000210639 [0,1,0,1,0,0|2,0,0]=4 16857 B10R1.186 C=CCCNC(C)C1CC1 34a_100000700016_100000754431 [0,1,0,1,0,0|2,0,0]=4 16858 B10R1.186 C=CCCOC(C)C1CC1 34a_100000744524_100000754431 [0,1,0,1,0,0|2,0,0]=4 16859 B10R1.186 C=CCCOC(C)C1CC1 7a_100000744524_100000754431 [0,1,0,1,0,0|2,0,0]=4 16860 B10R1.186 C=CCNCC(O)C1CC1 2230a_100000751198_100000210623 [0,1,0,1,0,0|2,0,0]=4 16861 B10R1.186 C=CCNCC(O)C1CC1 34a_100000751198_100015514636 [0,1,0,1,0,0|2,0,0]=4 16862 B10R1.186 C=CCOC[C@H](N)C1CC1 34a_100020623730_100015514636 [0,1,0,1,0,0|2,0,0]=4 16863 B10R1.186 CN(CCCC=O)C1CC1 2230a_100000226674_200011292268 [0,1,0,1,0,0|1,0,0]=3 16864 B10R1.186 CN(CCCC=O)C1CC1 269982a_100000226674_200011292268 [0,1,0,1,0,0|1,0,0]=3 16865 B10R1.186 N[C@@H](COCC=O)C1CC1 34a_100020623730_200009817547 [0,1,0,1,0,0|1,0,0]=3 16866 B10R1.186 O=CCNCC(O)C1CC1 2230a_100000751198_200015260668 [0,1,0,1,0,0|1,0,0]=3 16867 B10R1.186 O=CCNCC(O)C1CC1 34a_100000751198_200009817547 [0,1,0,1,0,0|1,0,0]=3 16868 B10R1.186 O=CCOCC(=O)C1CC1 34a_100000686663_200009817547 [0,1,0,1,0,0|1,0,1]=4 16869 B10R1.186 O=CCSCC(=O)C1CC1 62a_100000746382_200015260668 [0,1,0,1,0,0|1,0,1]=4 16870 B10R1.186 O=CCSCC(=O)C1CC1 62a_200015260668_100000746382 [0,1,0,1,0,0|1,0,1]=4 16871 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [0,1,0,1,0,0|2,0,0]=4 16872 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [0,1,0,1,0,0|2,0,0]=4 16873 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 16874 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 16875 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,1,0,1,0,0|2,0,0]=4 16876 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 16877 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 16878 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,1,0,1,0,0|2,0,0]=4 16879 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [0,1,0,1,0,0|1,0,1]=4 16880 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [0,1,0,1,0,0|1,0,1]=4 16881 B10R1.245 CNC1C(CCCC1C)C 269862a_106832991636_100000211995 [0,1,0,1,0,0|2,0,0]=4 16882 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [0,1,0,1,0,0|2,0,0]=4 16883 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [0,1,0,1,0,0|2,0,0]=4 16884 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [0,1,0,1,0,0|1,0,1]=4 16885 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [0,1,0,1,0,0|1,0,1]=4 16886 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [0,1,0,1,0,0|1,0,1]=4 16887 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [0,1,0,1,0,0|1,0,1]=4 16888 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 16889 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 16890 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 16891 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 16892 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 16893 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 16894 B10R1.376 C=CCCNC1(CCC1)C 2230a_100000692455_100000754431 [0,1,0,1,0,0|2,0,0]=4 16895 B10R1.376 C=CCCNC1(CCC1)C 34a_100000692455_100000754431 [0,1,0,1,0,0|2,0,0]=4 16896 B10R1.376 C=CCCOC1(CCC1)C 34a_100000759064_100000754431 [0,1,0,1,0,0|2,0,0]=4 16897 B10R1.376 C=CCCOC1(CCC1)C 7a_100000759064_100000754431 [0,1,0,1,0,0|2,0,0]=4 16898 B10R1.376 C=CCNCC1(CCC1)C 2230a_100000706607_100000210623 [0,1,0,1,0,0|2,0,0]=4 16899 B10R1.376 C=CCNCC1(CCC1)C 2230a_100020586998_100000726658 [0,1,0,1,0,0|2,0,0]=4 16900 B10R1.376 C=CCNCC1(CCC1)O 2230a_100000752638_100000210623 [0,1,0,1,0,0|2,0,0]=4 16901 B10R1.376 C=CCOCC1(CCC1)C 34a_200000210373_100000726658 [0,1,0,1,0,0|2,0,0]=4 16902 B10R1.376 C=CCSCC1(CCC1)C 62a_100000210623_100000726658 [0,1,0,1,0,0|2,0,0]=4 16903 B10R1.376 C=CCSCC1(CCC1)C 62a_100000726658_100000210623 [0,1,0,1,0,0|2,0,0]=4 16904 B10R1.376 CC1(CCC1)CNCC=O 2230a_100000706607_200015260668 [0,1,0,1,0,0|1,0,0]=3 16905 B10R1.376 CC1(CCC1)CSCC=O 62a_100000726658_200015260668 [0,1,0,1,0,0|1,0,0]=3 16906 B10R1.376 CC1(CCC1)CSCC=O 62a_200015260668_100000726658 [0,1,0,1,0,0|1,0,0]=3 16907 B10R1.376 CC1(COC1)CNCC=O 2230a_100020631278_200015260668 [0,1,0,1,0,0|2,0,0]=4 16908 B10R1.376 CC1(COC1)CSCC=O 62a_100009817586_200015260668 [0,1,0,1,0,0|2,0,0]=4 16909 B10R1.376 CC1(COC1)CSCC=O 62a_200015260668_100009817586 [0,1,0,1,0,0|2,0,0]=4 16910 B10R1.376 CC1(CSC1)COCC=O 34a_100000732658_200009817547 [0,1,0,1,0,0|2,0,0]=4 16911 B10R1.376 CC1(CSC1)COCC=O 7a_100000732658_200015260668 [0,1,0,1,0,0|2,0,0]=4 16912 B10R1.376 O=CCNCC1(CCC1)O 2230a_100000752638_200015260668 [0,1,0,1,0,0|1,0,0]=3 16913 B10R1.376 O=CCNCC1(COC1)O 2230a_100010264505_200015260668 [0,1,0,1,0,0|2,0,0]=4 16914 B10R1.377 CC1(CCCCC1)CN[13CH3] 2230a_100000706052_200025704644 [0,1,0,1,0,0|2,0,0]=4 16915 B10R1.377 CC1(CCCCC1)CN[13CH3] 34a_100000706052_200025704644 [0,1,0,1,0,0|2,0,0]=4 16916 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [0,1,0,1,0,0|2,0,0]=4 16917 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [0,1,0,1,0,0|2,0,0]=4 16918 B10R1.377 CNCC1(CCCCC1)C 2230a_100000706052_200000210301 [0,1,0,1,0,0|2,0,0]=4 16919 B10R1.377 CNCC1(CCCCC1)C 269862a_106832991636_100011935227 [0,1,0,1,0,0|2,0,0]=4 16920 B10R1.377 CNCC1(CCCCC1)C 34a_100000706052_200000210301 [0,1,0,1,0,0|2,0,0]=4 16921 B10R1.377 CNCC1(CCCCC1)O 2230a_100000748649_200000210301 [0,1,0,1,0,0|2,0,0]=4 16922 B10R1.377 CNCC1(CCCCC1)O 34a_100000748649_200000210301 [0,1,0,1,0,0|2,0,0]=4 16923 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [0,1,0,1,0,0|2,0,0]=4 16924 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [0,1,0,1,0,0|2,0,0]=4 16925 B10R1.377 COCC1(CCCCC1)F 34a_100000090305_200000210301 [0,1,0,1,0,0|2,0,0]=4 16926 B10R1.377 COCC1(CCCCC1)F 7a_100000090305_200000210301 [0,1,0,1,0,0|2,0,0]=4 16927 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [0,1,0,1,0,0|2,0,0]=4 16928 B10R1.377 [13CH3]NCC1(CCCCC1)O 2230a_100000748649_200025704644 [0,1,0,1,0,0|2,0,0]=4 16929 B10R1.377 [13CH3]NCC1(CCCCC1)O 34a_100000748649_200025704644 [0,1,0,1,0,0|2,0,0]=4 16930 B10R1.377 [13CH3]OCC1(CCCCC1)F 34a_100000090305_200025704644 [0,1,0,1,0,0|2,0,0]=4 16931 B10R1.377 [13CH3]OCC1(CCCCC1)F 7a_100000090305_200025704644 [0,1,0,1,0,0|2,0,0]=4 16932 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [0,1,0,1,0,0|2,0,0]=4 16933 B10R1.4 C#CCN1CCCCC1C 2230a_100000211376_100000038162 [0,1,0,1,0,0|1,0,1]=4 16934 B10R1.4 C#CCN1CCCCC1C 34a_100000211376_100000184674 [0,1,0,1,0,0|1,0,1]=4 16935 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [0,1,0,1,0,0|1,0,0]=3 16936 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [0,1,0,1,0,0|1,0,0]=3 16937 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [0,1,0,1,0,0|1,0,0]=3 16938 B10R1.4 C=CCN1CCOC[C@@H]1C 2230a_100009815349_100000210623 [0,1,0,1,0,0|2,0,0]=4 16939 B10R1.4 C=CCN1CCOC[C@@H]1C 269982a_100009815349_100000210623 [0,1,0,1,0,0|2,0,0]=4 16940 B10R1.4 C=CCN1CCOC[C@@H]1C 34a_100009815349_100015514636 [0,1,0,1,0,0|2,0,0]=4 16941 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [0,1,0,1,0,0|1,0,1]=4 16942 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,1,0,1,0,0|1,0,1]=4 16943 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,1,0,1,0,0|1,0,1]=4 16944 B10R1.4 CC1CCCCN1CC#N 2230a_100000211376_100011215382 [0,1,0,1,0,0|1,0,1]=4 16945 B10R1.4 CC1CCCCN1CC#N 269982a_100000211376_100011214920 [0,1,0,1,0,0|1,0,1]=4 16946 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,1,0,1,0,0|0,0,0]=2 16947 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,1,0,1,0,0|0,0,0]=2 16948 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,1,0,1,0,0|0,0,0]=2 16949 B10R1.4 CC1CCCCN1CCF 2230a_100000211376_100011217306 [0,1,0,1,0,0|1,0,1]=4 16950 B10R1.4 CC1CCCCN1CCF 269982a_100000211376_100011217306 [0,1,0,1,0,0|1,0,1]=4 16951 B10R1.4 CC1CCCCN1CCF 34a_100000211376_100011217306 [0,1,0,1,0,0|1,0,1]=4 16952 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [0,1,0,1,0,0|0,0,2]=4 16953 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [0,1,0,1,0,0|0,0,2]=4 16954 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [0,1,0,1,0,0|0,0,2]=4 16955 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [0,1,0,1,0,0|1,0,1]=4 16956 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [0,1,0,1,0,0|1,0,1]=4 16957 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [0,1,0,1,0,0|1,0,1]=4 16958 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [0,1,0,1,0,0|1,0,1]=4 16959 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [0,1,0,1,0,0|1,0,1]=4 16960 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [0,1,0,1,0,0|1,0,1]=4 16961 B10R1.4 CCCC1COCCN1C 2230a_102495339903_200000210301 [0,1,0,1,0,0|2,0,0]=4 16962 B10R1.4 CCCC1COCCN1C 269982a_102495339903_200000210301 [0,1,0,1,0,0|2,0,0]=4 16963 B10R1.4 CCCC1COCCN1C 34a_102495339903_200000210301 [0,1,0,1,0,0|2,0,0]=4 16964 B10R1.4 CCCC1COCCN1[13CH3] 2230a_102495339903_200025704644 [0,1,0,1,0,0|2,0,0]=4 16965 B10R1.4 CCCC1COCCN1[13CH3] 269982a_102495339903_200025704644 [0,1,0,1,0,0|2,0,0]=4 16966 B10R1.4 CCCC1COCCN1[13CH3] 34a_102495339903_200025704644 [0,1,0,1,0,0|2,0,0]=4 16967 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [0,1,0,1,0,0|1,0,1]=4 16968 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [0,1,0,1,0,0|1,0,1]=4 16969 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [0,1,0,1,0,0|1,0,1]=4 16970 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [0,1,0,1,0,0|1,0,1]=4 16971 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [0,1,0,1,0,0|1,0,1]=4 16972 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [0,1,0,1,0,0|1,0,1]=4 16973 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [0,1,0,1,0,0|1,0,1]=4 16974 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [0,1,0,1,0,0|1,0,0]=3 16975 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [0,1,0,1,0,0|1,0,0]=3 16976 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [0,1,0,1,0,0|1,0,0]=3 16977 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [0,1,0,1,0,0|1,0,1]=4 16978 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [0,1,0,1,0,0|1,0,1]=4 16979 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,1,0,1,0,0|0,0,0]=2 16980 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,1,0,1,0,0|0,0,0]=2 16981 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,1,0,1,0,0|1,0,1]=4 16982 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,1,0,1,0,0|1,0,1]=4 16983 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [0,1,0,1,0,0|1,0,1]=4 16984 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [0,1,0,1,0,0|1,0,1]=4 16985 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [0,1,0,1,0,0|1,0,1]=4 16986 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,1,0,1,0,0|0,0,2]=4 16987 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,1,0,1,0,0|1,0,0]=3 16988 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,1,0,1,0,0|1,0,0]=3 16989 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,1,0,1,0,0|1,0,0]=3 16990 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [0,1,0,1,0,0|1,0,1]=4 16991 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [0,1,0,1,0,0|1,0,1]=4 16992 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [0,1,0,1,0,0|1,0,1]=4 16993 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,1,0,1,0,0|0,0,0]=2 16994 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,1,0,1,0,0|0,0,0]=2 16995 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [0,1,0,1,0,0|1,0,1]=4 16996 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [0,1,0,1,0,0|1,0,1]=4 16997 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,1,0,1,0,0|0,0,2]=4 16998 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,1,0,1,0,0|0,0,2]=4 16999 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [0,1,0,1,0,0|1,0,0]=3 17000 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [0,1,0,1,0,0|1,0,0]=3 17001 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,1,0,1,0,0|1,0,0]=3 17002 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,1,0,1,0,0|1,0,0]=3 17003 B10R1.4 CN1CCCCC1CC#N 2230a_100000133382_200000210301 [0,1,0,1,0,0|1,0,1]=4 17004 B10R1.4 CN1CCCCC1CC#N 34a_100000133382_200000210301 [0,1,0,1,0,0|1,0,1]=4 17005 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [0,1,0,1,0,0|0,0,2]=4 17006 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [0,1,0,1,0,0|0,0,2]=4 17007 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [0,1,0,1,0,0|0,0,2]=4 17008 B10R1.4 CN1CCCCC1CN[13CH3] 34a_100011228421_200025704644 [0,1,0,1,0,0|2,0,0]=4 17009 B10R1.4 CN1CCCCC1CO[13CH3] 34a_100000225079_200025704644 [0,1,0,1,0,0|2,0,0]=4 17010 B10R1.4 CN1CCCCC1CS[13CH3] 62a_100015185383_200025704644 [0,1,0,1,0,0|2,0,0]=4 17011 B10R1.4 CN1CCCCC1CS[13CH3] 62a_200025704644_100015185383 [0,1,0,1,0,0|2,0,0]=4 17012 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,1,0,1,0,0|0,0,2]=4 17013 B10R1.4 CNCC1CCCCN1C 34a_100011228421_200000210301 [0,1,0,1,0,0|2,0,0]=4 17014 B10R1.4 CNCC1CCCCN1C 34a_100102657272_100015186950 [0,1,0,1,0,0|2,0,0]=4 17015 B10R1.4 CNCC1CCCCN1C 7a_106832991635_100015185383 [0,1,0,1,0,0|2,0,0]=4 17016 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,1,0,1,0,0|0,0,0]=2 17017 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,1,0,1,0,0|0,0,0]=2 17018 B10R1.4 COCC1CCCCN1C 2230a_100015184032_200000210301 [0,1,0,1,0,0|2,0,0]=4 17019 B10R1.4 COCC1CCCCN1C 269982a_100015184032_200000210301 [0,1,0,1,0,0|2,0,0]=4 17020 B10R1.4 COCC1CCCCN1C 34a_100000225079_200000210301 [0,1,0,1,0,0|2,0,0]=4 17021 B10R1.4 COCC1CCCCN1C 34a_100015184032_200000210301 [0,1,0,1,0,0|2,0,0]=4 17022 B10R1.4 COCC1CCCCN1C 34a_100138415774_100015186950 [0,1,0,1,0,0|2,0,0]=4 17023 B10R1.4 COCC1CCCCN1[13CH3] 2230a_100015184032_200025704644 [0,1,0,1,0,0|2,0,0]=4 17024 B10R1.4 COCC1CCCCN1[13CH3] 269982a_100015184032_200025704644 [0,1,0,1,0,0|2,0,0]=4 17025 B10R1.4 COCC1CCCCN1[13CH3] 34a_100015184032_200025704644 [0,1,0,1,0,0|2,0,0]=4 17026 B10R1.4 COCN1CCCCC1C 2230a_100000211376_100000766300 [0,1,0,1,0,0|2,0,0]=4 17027 B10R1.4 COCN1CCCCC1C 269982a_100000211376_100000766300 [0,1,0,1,0,0|2,0,0]=4 17028 B10R1.4 CSCC1CCCCN1C 62a_100015185383_200000210301 [0,1,0,1,0,0|2,0,0]=4 17029 B10R1.4 CSCC1CCCCN1C 62a_200000210301_100015185383 [0,1,0,1,0,0|2,0,0]=4 17030 B10R1.4 CSCN1CCCCC1C 2230a_100000211376_100011218213 [0,1,0,1,0,0|2,0,0]=4 17031 B10R1.4 CSCN1CCCCC1C 269982a_100000211376_100011218213 [0,1,0,1,0,0|2,0,0]=4 17032 B10R1.4 CSCN1CCCCC1C 34a_100000211376_100011218213 [0,1,0,1,0,0|2,0,0]=4 17033 B10R1.4 C[C@H]1COCCN1CC=O 2230a_100009815349_200015260668 [0,1,0,1,0,0|1,0,0]=3 17034 B10R1.4 C[C@H]1COCCN1CC=O 269982a_100009815349_200015260668 [0,1,0,1,0,0|1,0,0]=3 17035 B10R1.4 C[C@H]1COCCN1CC=O 34a_100009815349_200009817547 [0,1,0,1,0,0|1,0,0]=3 17036 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,1,0,1,0,0|1,0,0]=3 17037 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [0,1,0,1,0,0|1,0,0]=3 17038 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [0,1,0,1,0,0|1,0,0]=3 17039 B10R1.4 O=C1CCOCC1SCF 62a_100012180262_100015361967 [0,1,0,1,0,0|2,0,0]=4 17040 B10R1.4 O=C1CCOCC1SCF 62a_100015361967_100012180262 [0,1,0,1,0,0|2,0,0]=4 17041 B10R1.4 O=C1NCCCC1NCF 34a_100000747585_100015361967 [0,1,0,1,0,0|2,0,0]=4 17042 B10R1.4 O=C1NCCCC1OCF 34a_100000073722_100015361967 [0,1,0,1,0,0|2,0,0]=4 17043 B10R1.4 O=C1NCCCC1SCF 62a_100000687798_100015361967 [0,1,0,1,0,0|2,0,0]=4 17044 B10R1.4 O=C1NCCCC1SCF 62a_100015361967_100000687798 [0,1,0,1,0,0|2,0,0]=4 17045 B10R1.4 [13CH3]N1CCCCC1CC#N 2230a_100000133382_200025704644 [0,1,0,1,0,0|1,0,1]=4 17046 B10R1.4 [13CH3]N1CCCCC1CC#N 34a_100000133382_200025704644 [0,1,0,1,0,0|1,0,1]=4 17047 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [0,1,0,1,0,0|0,0,2]=4 17048 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [0,1,0,1,0,0|0,0,2]=4 17049 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [0,1,0,1,0,0|0,0,2]=4 17050 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,1,0,1,0,0|0,0,2]=4 17051 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,1,0,1,0,0|0,0,0]=2 17052 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,1,0,1,0,0|0,0,0]=2 17053 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [0,1,0,1,0,0|1,0,1]=4 17054 B10R1.17 C#CCNC1CCCCC1 2230a_100000182618_100000038162 [0,1,0,1,0,0|1,0,1]=4 17055 B10R1.17 C#CCNC1CCCCC1 34a_100000182618_100000184674 [0,1,0,1,0,0|1,0,1]=4 17056 B10R1.17 C#CCNC1CCCCC1 34a_100000212058_100000210327 [0,1,0,1,0,0|1,0,1]=4 17057 B10R1.17 C#CCOC1CCCCC1 34a_100000210231_100000184674 [0,1,0,1,0,0|1,0,1]=4 17058 B10R1.17 C#CCOC1CCCCC1 34a_100000210247_100000210327 [0,1,0,1,0,0|1,0,1]=4 17059 B10R1.17 C#CCOC1CCCCC1 7a_100000210231_100000038162 [0,1,0,1,0,0|1,0,1]=4 17060 B10R1.17 C#CCSC1CCCCC1 62a_100000038162_100000210327 [0,1,0,1,0,0|1,0,1]=4 17061 B10R1.17 C=CCCN1CCCOC1 2230a_100000131196_100000754431 [0,1,0,1,0,0|2,0,0]=4 17062 B10R1.17 C=CCCN1CCCOC1 269982a_100000131196_100000754431 [0,1,0,1,0,0|2,0,0]=4 17063 B10R1.17 C=CCCN1CCCOC1 34a_100000131196_100000754431 [0,1,0,1,0,0|2,0,0]=4 17064 B10R1.17 C=CCCN1CCOCC1 2230a_100015191051_100000754431 [0,1,0,1,0,0|2,0,0]=4 17065 B10R1.17 C=CCCN1CCOCC1 269982a_100015191051_100000754431 [0,1,0,1,0,0|2,0,0]=4 17066 B10R1.17 C=CCCN1CCOCC1 34a_100015191051_100000754431 [0,1,0,1,0,0|2,0,0]=4 17067 B10R1.17 C=CCCN1CCSCC1 2230a_100000737611_100000754431 [0,1,0,1,0,0|2,0,0]=4 17068 B10R1.17 C=CCCN1CCSCC1 269982a_100000737611_100000754431 [0,1,0,1,0,0|2,0,0]=4 17069 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [0,1,0,1,0,0|1,0,0]=3 17070 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [0,1,0,1,0,0|1,0,0]=3 17071 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [0,1,0,1,0,0|1,0,0]=3 17072 B10R1.17 C=CCNC1CCCOC1 2230a_100000719290_100000210623 [0,1,0,1,0,0|2,0,0]=4 17073 B10R1.17 C=CCNC1CCCOC1 270004a_100020586998_100000753404 [0,1,0,1,0,0|2,0,0]=4 17074 B10R1.17 C=CCNC1CCCOC1 34a_100000719290_100015514636 [0,1,0,1,0,0|2,0,0]=4 17075 B10R1.17 C=CCNC1CCCSC1 270004a_100020586998_100000057913 [0,1,0,1,0,0|2,0,0]=4 17076 B10R1.17 C=CCNC1CCNCC1 270004a_100020586998_100015192401 [0,1,0,1,0,0|2,0,0]=4 17077 B10R1.17 C=CCNC1CCOCC1 2230a_100000741149_100000210623 [0,1,0,1,0,0|2,0,0]=4 17078 B10R1.17 C=CCNC1CCOCC1 270004a_100020586998_100011217826 [0,1,0,1,0,0|2,0,0]=4 17079 B10R1.17 C=CCNC1CCOCC1 34a_100000741149_100015514636 [0,1,0,1,0,0|2,0,0]=4 17080 B10R1.17 C=CCNC1CCSCC1 2230a_100000748639_100000210623 [0,1,0,1,0,0|2,0,0]=4 17081 B10R1.17 C=CCNC1CCSCC1 270004a_100020586998_100000203788 [0,1,0,1,0,0|2,0,0]=4 17082 B10R1.17 C=CCNC1CCSCC1 34a_100000748639_100015514636 [0,1,0,1,0,0|2,0,0]=4 17083 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [0,1,0,1,0,0|1,0,0]=3 17084 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [0,1,0,1,0,0|1,0,0]=3 17085 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [0,1,0,1,0,0|1,0,0]=3 17086 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [0,1,0,1,0,0|2,0,0]=4 17087 B10R1.17 C=CCOC1CCCOC1 34a_100000754041_100015514636 [0,1,0,1,0,0|2,0,0]=4 17088 B10R1.17 C=CCOC1CCCOC1 34a_200000210373_100000693364 [0,1,0,1,0,0|2,0,0]=4 17089 B10R1.17 C=CCOC1CCCSC1 7a_100015962668_100015514636 [0,1,0,1,0,0|2,0,0]=4 17090 B10R1.17 C=CCOC1CCOCC1 34a_100000744328_100015514636 [0,1,0,1,0,0|2,0,0]=4 17091 B10R1.17 C=CCOC1CCSCC1 34a_100000731022_100015514636 [0,1,0,1,0,0|2,0,0]=4 17092 B10R1.17 C=CCOC1CCSCC1 34a_200000210373_100000069128 [0,1,0,1,0,0|2,0,0]=4 17093 B10R1.17 C=CCOC1CCSCC1 7a_100000731022_100015514636 [0,1,0,1,0,0|2,0,0]=4 17094 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [0,1,0,1,0,0|1,0,0]=3 17095 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [0,1,0,1,0,0|1,0,0]=3 17096 B10R1.17 C=CCSC1CCCOC1 62a_100000210623_100000693364 [0,1,0,1,0,0|2,0,0]=4 17097 B10R1.17 C=CCSC1CCOCC1 62a_100000210623_100011324220 [0,1,0,1,0,0|2,0,0]=4 17098 B10R1.17 C=CCSC1CCSCC1 62a_100000210623_100000069128 [0,1,0,1,0,0|2,0,0]=4 17099 B10R1.17 CC=NNC1CCCCC1 4a_100000709804_200000210099 [0,1,0,1,0,0|2,0,0]=4 17100 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [0,1,0,1,0,0|1,0,1]=4 17101 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [0,1,0,1,0,0|1,0,1]=4 17102 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [0,1,0,1,0,0|1,0,1]=4 17103 B10R1.17 CCCCN1CCCOC1 2230a_100000131196_100000210211 [0,1,0,1,0,0|2,0,0]=4 17104 B10R1.17 CCCCN1CCCOC1 269982a_100000131196_100000210211 [0,1,0,1,0,0|2,0,0]=4 17105 B10R1.17 CCCCN1CCCOC1 34a_100000131196_100000210210 [0,1,0,1,0,0|2,0,0]=4 17106 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [0,1,0,1,0,0|1,0,1]=4 17107 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [0,1,0,1,0,0|1,0,1]=4 17108 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [0,1,0,1,0,0|1,0,1]=4 17109 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [0,1,0,1,0,0|2,0,0]=4 17110 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [0,1,0,1,0,0|2,0,0]=4 17111 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [0,1,0,1,0,0|2,0,0]=4 17112 B10R1.17 CCCNC1CCCSC1 270004a_100020643023_100000057913 [0,1,0,1,0,0|2,0,0]=4 17113 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,1,0,1,0,0|1,0,0]=3 17114 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [0,1,0,1,0,0|1,0,1]=4 17115 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,1,0,1,0,0|1,0,1]=4 17116 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,1,0,1,0,0|1,0,1]=4 17117 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,1,0,1,0,0|1,0,1]=4 17118 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,1,0,1,0,0|0,0,2]=4 17119 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [0,1,0,1,0,0|2,0,0]=4 17120 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [0,1,0,1,0,0|2,0,0]=4 17121 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [0,1,0,1,0,0|2,0,0]=4 17122 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [0,1,0,1,0,0|1,0,0]=3 17123 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [0,1,0,1,0,0|1,0,0]=3 17124 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [0,1,0,1,0,0|1,0,1]=4 17125 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [0,1,0,1,0,0|1,0,1]=4 17126 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [0,1,0,1,0,0|2,0,0]=4 17127 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [0,1,0,1,0,0|1,0,1]=4 17128 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [0,1,0,1,0,0|1,0,1]=4 17129 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [0,1,0,1,0,0|1,0,1]=4 17130 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [0,1,0,1,0,0|1,0,1]=4 17131 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [0,1,0,1,0,0|1,0,1]=4 17132 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,1,0,1,0,0|0,0,2]=4 17133 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,1,0,1,0,0|0,0,2]=4 17134 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,1,0,1,0,0|0,0,2]=4 17135 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [0,1,0,1,0,0|2,0,0]=4 17136 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [0,1,0,1,0,0|2,0,0]=4 17137 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [0,1,0,1,0,0|2,0,0]=4 17138 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [0,1,0,1,0,0|1,0,1]=4 17139 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,1,0,1,0,0|0,0,2]=4 17140 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,1,0,1,0,0|1,0,1]=4 17141 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,1,0,1,0,0|1,0,1]=4 17142 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,1,0,1,0,0|1,0,1]=4 17143 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [0,1,0,1,0,0|1,0,1]=4 17144 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,1,0,1,0,0|0,0,2]=4 17145 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,1,0,1,0,0|0,0,2]=4 17146 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,1,0,1,0,0|0,0,2]=4 17147 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [0,1,0,1,0,0|2,0,0]=4 17148 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [0,1,0,1,0,0|2,0,0]=4 17149 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [0,1,0,1,0,0|2,0,0]=4 17150 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [0,1,0,1,0,0|1,0,1]=4 17151 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [0,1,0,1,0,0|1,0,1]=4 17152 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [0,1,0,1,0,0|0,0,2]=4 17153 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [0,1,0,1,0,0|0,0,2]=4 17154 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [0,1,0,1,0,0|2,0,0]=4 17155 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [0,1,0,1,0,0|2,0,0]=4 17156 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [0,1,0,1,0,0|1,0,1]=4 17157 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [0,1,0,1,0,0|1,0,1]=4 17158 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [0,1,0,1,0,0|1,0,1]=4 17159 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [0,1,0,1,0,0|1,0,1]=4 17160 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [0,1,0,1,0,0|1,0,1]=4 17161 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [0,1,0,1,0,0|1,0,1]=4 17162 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,1,0,1,0,0|0,0,2]=4 17163 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,1,0,1,0,0|0,0,2]=4 17164 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [0,1,0,1,0,0|2,0,0]=4 17165 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [0,1,0,1,0,0|2,0,0]=4 17166 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [0,1,0,1,0,0|2,0,0]=4 17167 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [0,1,0,1,0,0|2,0,0]=4 17168 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [0,1,0,1,0,0|2,0,0]=4 17169 B10R1.17 CNCCN1CCCCC1 2230a_106832991635_100000739454 [0,1,0,1,0,0|2,0,0]=4 17170 B10R1.17 CNCCN1CCCCC1 34a_100102657272_100000739454 [0,1,0,1,0,0|2,0,0]=4 17171 B10R1.17 CNCCN1CCCCC1 7a_106832991635_100000739454 [0,1,0,1,0,0|2,0,0]=4 17172 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [0,1,0,1,0,0|2,0,0]=4 17173 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [0,1,0,1,0,0|2,0,0]=4 17174 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [0,1,0,1,0,0|2,0,0]=4 17175 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [0,1,0,1,0,0|0,0,2]=4 17176 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [0,1,0,1,0,0|0,0,2]=4 17177 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [0,1,0,1,0,0|0,0,2]=4 17178 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [0,1,0,1,0,0|1,0,1]=4 17179 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 17180 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [0,1,0,1,0,0|2,0,0]=4 17181 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [0,1,0,1,0,0|2,0,0]=4 17182 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [0,1,0,1,0,0|2,0,0]=4 17183 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [0,1,0,1,0,0|2,0,0]=4 17184 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [0,1,0,1,0,0|2,0,0]=4 17185 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [0,1,0,1,0,0|2,0,0]=4 17186 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [0,1,0,1,0,0|2,0,0]=4 17187 B10R1.17 COCSC1C=CCCC1 62a_100000751183_100000766300 [0,1,0,1,0,0|2,0,0]=4 17188 B10R1.17 COCSC1C=CCCC1 62a_100000766300_100000751183 [0,1,0,1,0,0|2,0,0]=4 17189 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [0,1,0,1,0,0|2,0,0]=4 17190 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [0,1,0,1,0,0|2,0,0]=4 17191 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [0,1,0,1,0,0|0,1,1]=4 17192 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [0,1,0,1,0,0|0,1,1]=4 17193 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [0,1,0,1,0,0|2,0,0]=4 17194 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [0,1,0,1,0,0|2,0,0]=4 17195 B10R1.17 CSCCN1CCCCC1 62a_100000739454_200000210301 [0,1,0,1,0,0|2,0,0]=4 17196 B10R1.17 CSCCN1CCCCC1 62a_200000210301_100000739454 [0,1,0,1,0,0|2,0,0]=4 17197 B10R1.17 CSCNC1CCCCC1 2230a_100000182618_100011218213 [0,1,0,1,0,0|2,0,0]=4 17198 B10R1.17 CSCNC1CCCCC1 34a_100000182618_100011218213 [0,1,0,1,0,0|2,0,0]=4 17199 B10R1.17 CSCOC1C=CCCC1 34a_100011215024_100011218213 [0,1,0,1,0,0|2,0,0]=4 17200 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [0,1,0,1,0,0|2,0,0]=4 17201 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [0,1,0,1,0,0|2,0,0]=4 17202 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [0,1,0,1,0,0|2,0,0]=4 17203 B10R1.17 CSCSC1C=CCCC1 62a_100000751183_100011218213 [0,1,0,1,0,0|2,0,0]=4 17204 B10R1.17 CSCSC1C=CCCC1 62a_100011218213_100000751183 [0,1,0,1,0,0|2,0,0]=4 17205 B10R1.17 CSCSC1CCCCC1 62a_100000210327_100011218213 [0,1,0,1,0,0|2,0,0]=4 17206 B10R1.17 CSCSC1CCCCC1 62a_100011218213_100000210327 [0,1,0,1,0,0|2,0,0]=4 17207 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [0,1,0,1,0,0|1,0,1]=4 17208 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [0,1,0,1,0,0|1,0,1]=4 17209 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [0,1,0,1,0,0|1,0,1]=4 17210 B10R1.17 FCCOC1C=CCCC1 34a_100011215024_100011217306 [0,1,0,1,0,0|2,0,0]=4 17211 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [0,1,0,1,0,0|1,0,1]=4 17212 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [0,1,0,1,0,0|1,0,1]=4 17213 B10R1.17 FCCSC1C=CCCC1 62a_100000751183_100011217306 [0,1,0,1,0,0|2,0,0]=4 17214 B10R1.17 FCCSC1C=CCCC1 62a_100011217306_100000751183 [0,1,0,1,0,0|2,0,0]=4 17215 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [0,1,0,1,0,0|1,0,1]=4 17216 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [0,1,0,1,0,0|1,0,1]=4 17217 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [0,1,0,1,0,0|1,0,1]=4 17218 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [0,1,0,1,0,0|1,0,1]=4 17219 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [0,1,0,1,0,0|1,0,1]=4 17220 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [0,1,0,1,0,0|1,0,1]=4 17221 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [0,1,0,1,0,0|1,0,1]=4 17222 B10R1.17 N#CCNC1CCCCC1 2230a_100000182618_100011215382 [0,1,0,1,0,0|1,0,1]=4 17223 B10R1.17 N#CCOC1CCCCC1 7a_100000210231_100011215382 [0,1,0,1,0,0|1,0,1]=4 17224 B10R1.17 N#CCSC1CCCCC1 62a_100000210327_100011215382 [0,1,0,1,0,0|1,0,1]=4 17225 B10R1.17 N#CCSC1CCCCC1 62a_100011215382_100000210327 [0,1,0,1,0,0|1,0,1]=4 17226 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [0,1,0,1,0,0|1,0,1]=4 17227 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [0,1,0,1,0,0|0,0,0]=2 17228 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [0,1,0,1,0,0|0,0,0]=2 17229 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [0,1,0,1,0,0|1,0,0]=3 17230 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [0,1,0,1,0,0|1,0,0]=3 17231 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [0,1,0,1,0,0|1,0,0]=3 17232 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [0,1,0,1,0,0|1,0,0]=3 17233 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [0,1,0,1,0,0|1,0,0]=3 17234 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [0,1,0,1,0,0|1,0,0]=3 17235 B10R1.17 O=CCOC1C=CCCC1 34a_100011215024_200009817547 [0,1,0,1,0,0|0,0,2]=4 17236 B10R1.17 O=CCOC1CC=CCC1 34a_100000073881_200009817547 [0,1,0,1,0,0|0,0,2]=4 17237 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [0,1,0,1,0,0|0,0,0]=2 17238 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [0,1,0,1,0,0|0,0,0]=2 17239 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,1,0,1,0,0|1,0,0]=3 17240 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [0,1,0,1,0,0|1,0,0]=3 17241 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [0,1,0,1,0,0|1,0,0]=3 17242 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [0,1,0,1,0,0|1,0,0]=3 17243 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [0,1,0,1,0,0|1,0,0]=3 17244 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [0,1,0,1,0,0|1,0,0]=3 17245 B10R1.17 O=CCSC1C=CCCC1 62a_100000751183_200015260668 [0,1,0,1,0,0|0,0,2]=4 17246 B10R1.17 O=CCSC1C=CCCC1 62a_200015260668_100000751183 [0,1,0,1,0,0|0,0,2]=4 17247 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [0,1,0,1,0,0|0,0,0]=2 17248 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [0,1,0,1,0,0|0,0,0]=2 17249 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [0,1,0,1,0,0|1,0,0]=3 17250 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [0,1,0,1,0,0|1,0,0]=3 17251 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [0,1,0,1,0,0|1,0,0]=3 17252 B10R1.17 OCCNC1C=CCCC1 2230a_100016997473_100000751183 [0,1,0,1,0,0|2,0,0]=4 17253 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,1,0,1,0,0|0,0,2]=4 17254 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,1,0,1,0,0|0,0,2]=4 17255 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,1,0,1,0,0|0,0,2]=4 17256 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,1,0,1,0,0|0,0,2]=4 17257 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [0,1,0,1,0,0|2,0,0]=4 17258 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,1,0,1,0,0|0,0,2]=4 17259 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,1,0,1,0,0|0,0,2]=4 17260 B10R1.17 OCCSC1C=CCCC1 62a_100000211926_100000751183 [0,1,0,1,0,0|2,0,0]=4 17261 B10R1.17 OCCSC1C=CCCC1 62a_100000751183_100000211926 [0,1,0,1,0,0|2,0,0]=4 17262 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,1,0,1,0,0|0,0,2]=4 17263 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,1,0,1,0,0|0,0,2]=4 17264 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [0,1,0,1,0,0|1,0,1]=4 17265 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [0,1,0,1,0,0|1,0,1]=4 17266 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,1,0,1,0,0|0,0,2]=4 17267 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,1,0,1,0,0|0,0,2]=4 17268 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [0,1,0,1,0,0|2,0,0]=4 17269 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [0,1,0,1,0,0|2,0,0]=4 17270 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [0,1,0,1,0,0|0,0,2]=4 17271 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [0,1,0,1,0,0|0,0,2]=4 17272 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [0,1,0,1,0,0|1,0,1]=4 17273 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 17274 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [0,1,0,1,0,0|2,0,0]=4 17275 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [0,1,0,1,0,0|2,0,0]=4 17276 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [0,1,0,1,0,0|2,0,0]=4 17277 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [0,1,0,1,0,0|0,1,1]=4 17278 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [0,1,0,1,0,0|0,1,1]=4 17279 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [0,1,0,1,0,0|2,0,0]=4 17280 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [0,1,0,1,0,0|2,0,0]=4 17281 B10R1.17 [13CH3]SCCN1CCCCC1 62a_100000739454_200025704644 [0,1,0,1,0,0|2,0,0]=4 17282 B10R1.17 [13CH3]SCCN1CCCCC1 62a_200025704644_100000739454 [0,1,0,1,0,0|2,0,0]=4 17283 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [0,1,0,1,0,0|2,0,0]=4 17284 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [0,1,0,1,0,0|2,0,0]=4 17285 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,1,0,1,0,0|2,0,0]=4 17286 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,1,0,1,0,0|2,0,0]=4 17287 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [0,1,0,1,0,0|2,0,0]=4 17288 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [0,1,0,1,0,0|2,0,0]=4 17289 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,1,0,1,0,0|2,0,0]=4 17290 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,1,0,1,0,0|2,0,0]=4 17291 B10R1.143 C=CCCN1CC(C1)CC 2230a_100015205115_100000754431 [0,1,0,1,0,0|2,0,0]=4 17292 B10R1.143 C=CCCN1CC(C1)CC 269982a_100015205115_100000754431 [0,1,0,1,0,0|2,0,0]=4 17293 B10R1.143 CCN1CC(C1)NCC=O 2230a_200015199589_200015260668 [0,1,0,1,0,0|2,0,0]=4 17294 B10R1.143 CO[C@H]1C[C@@H](C1)NCC=O 2230a_100121570643_200015260668 [0,1,0,1,0,0|2,0,0]=4 17295 B10R1.143 O=CCSC1CC(C1)CO 62a_100009874164_200015260668 [0,1,0,1,0,0|2,0,0]=4 17296 B10R1.143 O=CCSC1CC(C1)CO 62a_200015260668_100009874164 [0,1,0,1,0,0|2,0,0]=4 17297 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000209988_100000754431 [0,1,0,1,0,0|1,0,1]=4 17298 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000749702_100000749161 [0,1,0,1,0,0|1,0,1]=4 17299 B10R1.178 C=CCCN(C)C1CCC1 2230a_100000758072_100000754431 [0,1,0,1,0,0|2,0,0]=4 17300 B10R1.178 C=CCCN(C)C1CCC1 269982a_100000758072_100000754431 [0,1,0,1,0,0|2,0,0]=4 17301 B10R1.178 C=CCCN(C)C1CCC1 269982a_100020639649_100000749161 [0,1,0,1,0,0|2,0,0]=4 17302 B10R1.178 C=CCCN(C)C1CCC1 270004a_100020639649_100000241760 [0,1,0,1,0,0|2,0,0]=4 17303 B10R1.178 C=CCCN(C)C1CCC1 34a_100000758072_100000754431 [0,1,0,1,0,0|2,0,0]=4 17304 B10R1.178 C=CCNC(C)C1CCC1 2230a_100016994624_100000210623 [0,1,0,1,0,0|2,0,0]=4 17305 B10R1.178 C=CCNC(C)C1CCC1 34a_100016994624_100015514636 [0,1,0,1,0,0|2,0,0]=4 17306 B10R1.178 C=CCOC(C)C1CCC1 34a_100000766398_100015514636 [0,1,0,1,0,0|2,0,0]=4 17307 B10R1.178 C=CCOC(C)C1CCC1 7a_100000766398_100015514636 [0,1,0,1,0,0|2,0,0]=4 17308 B10R1.178 CC(NCC=O)C1CCC1 2230a_100016994624_200015260668 [0,1,0,1,0,0|1,0,0]=3 17309 B10R1.178 CC(NCC=O)C1CCC1 34a_100016994624_200009817547 [0,1,0,1,0,0|1,0,0]=3 17310 B10R1.178 CC(OCC=O)C1CCC1 34a_100000766398_200009817547 [0,1,0,1,0,0|1,0,0]=3 17311 B10R1.178 CC(OCC=O)C1CCC1 7a_100000766398_200015260668 [0,1,0,1,0,0|1,0,0]=3 17312 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000738066_100000754431 [0,1,0,1,0,0|1,0,1]=4 17313 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000749702_100000742324 [0,1,0,1,0,0|1,0,1]=4 17314 B10R1.180 C=CCCC(C)OC1CC1 34a_100000765329_100000211595 [0,1,0,1,0,0|2,0,0]=4 17315 B10R1.180 C=CCCN(C)CC1CC1 2230a_100000741881_100000754431 [0,1,0,1,0,0|2,0,0]=4 17316 B10R1.180 C=CCCN(C)CC1CC1 2230a_100020639649_100000742324 [0,1,0,1,0,0|2,0,0]=4 17317 B10R1.180 C=CCCN(C)CC1CC1 269982a_100000741881_100000754431 [0,1,0,1,0,0|2,0,0]=4 17318 B10R1.180 C=CCCN(C)CC1CC1 269982a_100020639649_100000756562 [0,1,0,1,0,0|2,0,0]=4 17319 B10R1.180 C=CCNC(C)CC1CC1 270004a_100020586998_200000686933 [0,1,0,1,0,0|2,0,0]=4 17320 B10R1.187 C=CCN1C(CCC1C)C 2230a_100000687148_100000210623 [0,1,0,1,0,0|2,0,0]=4 17321 B10R1.187 C=CCN1C(CCC1C)C 269982a_100000687148_100000210623 [0,1,0,1,0,0|2,0,0]=4 17322 B10R1.187 C=CCN1C(CCC1C)C 34a_100000687148_100015514636 [0,1,0,1,0,0|2,0,0]=4 17323 B10R1.187 CC1CCC(N1CC=O)C 2230a_100000687148_200015260668 [0,1,0,1,0,0|1,0,0]=3 17324 B10R1.187 CC1CCC(N1CC=O)C 269982a_100000687148_200015260668 [0,1,0,1,0,0|1,0,0]=3 17325 B10R1.187 CC1CCC(N1CC=O)C 34a_100000687148_200009817547 [0,1,0,1,0,0|1,0,0]=3 17326 B10R1.187 CCNC1C(=O)CCC1=O 2230a_100015525214_100009820769 [0,1,0,1,0,0|1,0,1]=4 17327 B10R1.187 CCSC1C(=O)CCC1=O 62a_100000210202_100009820769 [0,1,0,1,0,0|1,0,1]=4 17328 B10R1.187 CCSC1C(=O)CCC1=O 62a_100009820769_100000210202 [0,1,0,1,0,0|1,0,1]=4 17329 B10R1.216 C=CCOC1(CCCC1)C 34a_100000751722_100015514636 [0,1,0,1,0,0|2,0,0]=4 17330 B10R1.216 C=CCOC1(CCCC1)C 7a_100000751722_100015514636 [0,1,0,1,0,0|2,0,0]=4 17331 B10R1.216 CC1(CCCC1)OCC=O 34a_100000751722_200009817547 [0,1,0,1,0,0|1,0,0]=3 17332 B10R1.216 CC1(CCCC1)OCC=O 7a_100000751722_200015260668 [0,1,0,1,0,0|1,0,0]=3 17333 B10R1.216 CC1(CCOC1)NCC=O 2230a_100000693475_200015260668 [0,1,0,1,0,0|2,0,0]=4 17334 B10R1.216 CNCCC1(CCCC1)O 34a_100000719956_200000210301 [0,1,0,1,0,0|2,0,0]=4 17335 B10R1.216 [13CH3]NCCC1(CCCC1)O 34a_100000719956_200025704644 [0,1,0,1,0,0|2,0,0]=4 17336 B10R1.293 C=CCCC(=O)C1CC1C 1458a_100000211227_100000754431 [0,1,0,1,0,0|1,0,1]=4 17337 B10R1.332 CN1CCC(=O)N(CC1)C 2230a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 17338 B10R1.332 CN1CCC(=O)N(CC1)C 269982a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 17339 B10R1.332 CN1CCC(=O)N(CC1)C 34a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 17340 B10R1.332 CN1CCN(CCC1=O)[13CH3] 2230a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 17341 B10R1.332 CN1CCN(CCC1=O)[13CH3] 269982a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 17342 B10R1.332 CN1CCN(CCC1=O)[13CH3] 34a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 17343 B10R1.5 C#CCN1CCCC1CC 2230a_100000754278_100000038162 [0,1,0,1,0,0|1,0,1]=4 17344 B10R1.5 C#CCN1CCCC1CC 34a_100000754278_100000184674 [0,1,0,1,0,0|1,0,1]=4 17345 B10R1.5 C=CCN1CCCC1CC 2230a_100000754278_100000210623 [0,1,0,1,0,0|1,0,0]=3 17346 B10R1.5 C=CCN1CCCC1CC 269982a_100000754278_100000210623 [0,1,0,1,0,0|1,0,0]=3 17347 B10R1.5 C=CCN1CCCC1CC 34a_100000754278_100015514636 [0,1,0,1,0,0|1,0,0]=3 17348 B10R1.5 C=CCN1CCC[C@@H]1CO 2230a_100000745186_100000210623 [0,1,0,1,0,0|2,0,0]=4 17349 B10R1.5 C=CCN1CCC[C@@H]1CO 269982a_100000745186_100000210623 [0,1,0,1,0,0|2,0,0]=4 17350 B10R1.5 C=CCN1CCC[C@@H]1CO 34a_100000745186_100015514636 [0,1,0,1,0,0|2,0,0]=4 17351 B10R1.5 CCC1C=CCN1CC=O 2230a_100000730860_200015260668 [0,1,0,1,0,0|0,0,2]=4 17352 B10R1.5 CCC1C=CCN1CC=O 269982a_100000730860_200015260668 [0,1,0,1,0,0|0,0,2]=4 17353 B10R1.5 CCC1C=CCN1CC=O 34a_100000730860_200009817547 [0,1,0,1,0,0|0,0,2]=4 17354 B10R1.5 CCC1CCCN1CC#N 2230a_100000754278_100011215382 [0,1,0,1,0,0|1,0,1]=4 17355 B10R1.5 CCC1CCCN1CC#N 269982a_100000754278_100011214920 [0,1,0,1,0,0|1,0,1]=4 17356 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [0,1,0,1,0,0|0,0,0]=2 17357 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [0,1,0,1,0,0|0,0,0]=2 17358 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [0,1,0,1,0,0|0,0,0]=2 17359 B10R1.5 CCC1CCCN1CCF 2230a_100000754278_100011217306 [0,1,0,1,0,0|1,0,1]=4 17360 B10R1.5 CCC1CCCN1CCF 269982a_100000754278_100011217306 [0,1,0,1,0,0|1,0,1]=4 17361 B10R1.5 CCC1CCCN1CCF 34a_100000754278_100011217306 [0,1,0,1,0,0|1,0,1]=4 17362 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [0,1,0,1,0,0|0,0,2]=4 17363 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [0,1,0,1,0,0|0,0,2]=4 17364 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [0,1,0,1,0,0|0,0,2]=4 17365 B10R1.5 CCC1CCCN1COC 2230a_100000754278_100000766300 [0,1,0,1,0,0|2,0,0]=4 17366 B10R1.5 CCC1CCCN1COC 269982a_100000754278_100000766300 [0,1,0,1,0,0|2,0,0]=4 17367 B10R1.5 CCC1CCCN1CSC 2230a_100000754278_100011218213 [0,1,0,1,0,0|2,0,0]=4 17368 B10R1.5 CCC1CCCN1CSC 269982a_100000754278_100011218213 [0,1,0,1,0,0|2,0,0]=4 17369 B10R1.5 CCC1CCCN1CSC 34a_100000754278_100011218213 [0,1,0,1,0,0|2,0,0]=4 17370 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [0,1,0,1,0,0|1,0,1]=4 17371 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [0,1,0,1,0,0|1,0,1]=4 17372 B10R1.5 CCCN1CCCC1C#N 2230a_100000701862_100000210303 [0,1,0,1,0,0|1,0,1]=4 17373 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [0,1,0,1,0,0|1,0,1]=4 17374 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [0,1,0,1,0,0|1,0,1]=4 17375 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [0,1,0,1,0,0|1,0,1]=4 17376 B10R1.5 CCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210303 [0,1,0,1,0,0|1,0,1]=4 17377 B10R1.5 CCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210303 [0,1,0,1,0,0|1,0,1]=4 17378 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [0,1,0,1,0,0|0,0,2]=4 17379 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [0,1,0,1,0,0|0,0,2]=4 17380 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [0,1,0,1,0,0|0,0,2]=4 17381 B10R1.5 CCN1CCCC1CNC 2230a_100000211693_200000210301 [0,1,0,1,0,0|2,0,0]=4 17382 B10R1.5 CCN1CCCC1CN[13CH3] 2230a_100000211693_200025704644 [0,1,0,1,0,0|2,0,0]=4 17383 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [0,1,0,1,0,0|2,0,0]=4 17384 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [0,1,0,1,0,0|2,0,0]=4 17385 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [0,1,0,1,0,0|2,0,0]=4 17386 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [0,1,0,1,0,0|2,0,0]=4 17387 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [0,1,0,1,0,0|2,0,0]=4 17388 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [0,1,0,1,0,0|2,0,0]=4 17389 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [0,1,0,1,0,0|2,0,0]=4 17390 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [0,1,0,1,0,0|1,0,1]=4 17391 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [0,1,0,1,0,0|1,0,1]=4 17392 B10R1.5 CCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210202 [0,1,0,1,0,0|1,0,1]=4 17393 B10R1.5 CCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210202 [0,1,0,1,0,0|1,0,1]=4 17394 B10R1.5 N#CC1CCCN1CC=O 2230a_100000701862_200015260668 [0,1,0,1,0,0|1,0,1]=4 17395 B10R1.5 N#C[C@H]1CCCN1CC=O 2230a_106645074975_200015260668 [0,1,0,1,0,0|1,0,1]=4 17396 B10R1.5 N#C[C@H]1CCCN1CC=O 269982a_106645074975_200015260668 [0,1,0,1,0,0|1,0,1]=4 17397 B10R1.5 O=CCN1CCC[C@@H]1CO 2230a_100000745186_200015260668 [0,1,0,1,0,0|1,0,0]=3 17398 B10R1.5 O=CCN1CCC[C@@H]1CO 269982a_100000745186_200015260668 [0,1,0,1,0,0|1,0,0]=3 17399 B10R1.5 O=CCN1CCC[C@@H]1CO 34a_100000745186_200009817547 [0,1,0,1,0,0|1,0,0]=3 17400 B10R1.20 C#CC1CCCCN1CC 2230a_200020621307_100000210202 [0,1,0,1,0,0|1,0,1]=4 17401 B10R1.20 C#CC1CCCCN1CC 269982a_200020621307_100000204670 [0,1,0,1,0,0|1,0,1]=4 17402 B10R1.20 C#CC1CCCCN1CC 34a_200020621307_100000210202 [0,1,0,1,0,0|1,0,1]=4 17403 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [0,1,0,1,0,0|1,0,1]=4 17404 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [0,1,0,1,0,0|1,0,1]=4 17405 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [0,1,0,1,0,0|0,0,2]=4 17406 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [0,1,0,1,0,0|0,0,2]=4 17407 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [0,1,0,1,0,0|0,0,2]=4 17408 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [0,1,0,1,0,0|0,0,2]=4 17409 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [0,1,0,1,0,0|1,0,1]=4 17410 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [0,1,0,1,0,0|1,0,1]=4 17411 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [0,1,0,1,0,0|1,0,1]=4 17412 B10R1.20 CCC1CCCCN1CF 269982a_100000210034_100015361967 [0,1,0,1,0,0|1,0,1]=4 17413 B10R1.20 CCC1CCCCN1CF 34a_100000210034_100015361967 [0,1,0,1,0,0|1,0,1]=4 17414 B10R1.20 CCN1CCCCC1C#N 34a_100016989756_100000210202 [0,1,0,1,0,0|1,0,1]=4 17415 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [0,1,0,1,0,0|0,0,2]=4 17416 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [0,1,0,1,0,0|0,0,2]=4 17417 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [0,1,0,1,0,0|0,0,2]=4 17418 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [0,1,0,1,0,0|0,0,2]=4 17419 B10R1.20 CNC1CCCCC1OC 270004a_106832991635_100000740605 [0,1,0,1,0,0|2,0,0]=4 17420 B10R1.20 CNC1CCCCC1OC 34a_100011208099_200000210301 [0,1,0,1,0,0|2,0,0]=4 17421 B10R1.20 CN[C@@H]1CCCC[C@H]1OC 34a_100000708425_200000210301 [0,1,0,1,0,0|2,0,0]=4 17422 B10R1.20 CN[C@@H]1CCCC[C@H]1O[13CH3] 34a_100000708425_200025704644 [0,1,0,1,0,0|2,0,0]=4 17423 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [0,1,0,1,0,0|1,0,1]=4 17424 B10R1.20 COC1CCCCC1N[13CH3] 34a_100011208099_200025704644 [0,1,0,1,0,0|2,0,0]=4 17425 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [0,1,0,1,0,0|2,0,0]=4 17426 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [0,1,0,1,0,0|2,0,0]=4 17427 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [0,1,0,1,0,0|2,0,0]=4 17428 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [0,1,0,1,0,0|2,0,0]=4 17429 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [0,1,0,1,0,0|1,0,1]=4 17430 B10R1.37 C#CCCCN1CCC1C 269982a_100000755817_100011215417 [0,1,0,1,0,0|1,0,1]=4 17431 B10R1.37 C#CCCCN1CCC1C 34a_100000755817_100000695029 [0,1,0,1,0,0|1,0,1]=4 17432 B10R1.37 C#CCCNC1CCC1=O 34a_100000755551_100009892977 [0,1,0,1,0,0|0,0,2]=4 17433 B10R1.37 C#CCCOC1CCC1=O 34a_100011215631_100009892977 [0,1,0,1,0,0|0,0,2]=4 17434 B10R1.37 C#CCCSC1CCC1=O 62a_100000688953_100009892977 [0,1,0,1,0,0|0,0,2]=4 17435 B10R1.37 C#CCCSC1CCC1=O 62a_100009892977_100000688953 [0,1,0,1,0,0|0,0,2]=4 17436 B10R1.37 C/C=C/COC1CCC1=O 34a_100016270725_100009892977 [0,1,0,1,0,0|0,0,2]=4 17437 B10R1.37 C/C=C/CSC1CCC1=O 62a_100009892977_100102629194 [0,1,0,1,0,0|0,0,2]=4 17438 B10R1.37 C/C=C/CSC1CCC1=O 62a_100102629194_100009892977 [0,1,0,1,0,0|0,0,2]=4 17439 B10R1.37 C=CCCCN1CCC1C 269982a_100000755817_100000757094 [0,1,0,1,0,0|1,0,0]=3 17440 B10R1.37 C=CCCCN1CCC1C 34a_100000755817_100000757094 [0,1,0,1,0,0|1,0,0]=3 17441 B10R1.37 C=CCCOC1CCC1=O 34a_100011205117_100009892977 [0,1,0,1,0,0|0,0,2]=4 17442 B10R1.37 C=CCCSC1CCC1=O 62a_100000754431_100009892977 [0,1,0,1,0,0|0,0,2]=4 17443 B10R1.37 C=CCCSC1CCC1=O 62a_100009892977_100000754431 [0,1,0,1,0,0|0,0,2]=4 17444 B10R1.37 C=COCCN1CCC1C 269982a_100000755817_100000039644 [0,1,0,1,0,0|2,0,0]=4 17445 B10R1.37 C=COCCN1CCC1C 34a_100000755817_100000039644 [0,1,0,1,0,0|2,0,0]=4 17446 B10R1.37 CC#CCNC1CCC1=O 34a_100000685387_100009892977 [0,1,0,1,0,0|0,0,2]=4 17447 B10R1.37 CC#CCOC1CCC1=O 34a_100000761923_100009892977 [0,1,0,1,0,0|0,0,2]=4 17448 B10R1.37 CC#CCSC1CCC1=O 62a_100000748600_100009892977 [0,1,0,1,0,0|0,0,2]=4 17449 B10R1.37 CC#CCSC1CCC1=O 62a_100009892977_100000748600 [0,1,0,1,0,0|0,0,2]=4 17450 B10R1.37 CC1CCN1CCCC#N 269982a_100000755817_100000687738 [0,1,0,1,0,0|1,0,1]=4 17451 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [0,1,0,1,0,0|0,0,0]=2 17452 B10R1.37 CC1CCN1CCCCF 269982a_100000755817_100000729493 [0,1,0,1,0,0|1,0,1]=4 17453 B10R1.37 CC1CCN1CCCCF 34a_100000755817_100000729493 [0,1,0,1,0,0|1,0,1]=4 17454 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [0,1,0,1,0,0|0,0,2]=4 17455 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [0,1,0,1,0,0|0,0,2]=4 17456 B10R1.37 CC=CCSC1CCC1=O 62a_100000070051_100009892977 [0,1,0,1,0,0|0,0,2]=4 17457 B10R1.37 CC=CCSC1CCC1=O 62a_100009892977_100000070051 [0,1,0,1,0,0|0,0,2]=4 17458 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,1,0,1,0,0|1,0,1]=4 17459 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,1,0,1,0,0|1,0,1]=4 17460 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|0,0,0]=2 17461 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|0,0,0]=2 17462 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|0,0,0]=2 17463 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|0,0,0]=2 17464 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|0,0,0]=2 17465 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|0,0,0]=2 17466 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,1,0,1,0,0|1,0,0]=3 17467 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,1,0,1,0,0|1,0,0]=3 17468 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|0,0,0]=2 17469 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|0,0,0]=2 17470 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [0,1,0,1,0,0|2,0,0]=4 17471 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [0,1,0,1,0,0|2,0,0]=4 17472 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,1,0,1,0,0|1,0,0]=3 17473 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,1,0,1,0,0|1,0,0]=3 17474 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,1,0,1,0,0|1,0,0]=3 17475 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,1,0,1,0,0|1,0,0]=3 17476 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,1,0,1,0,0|1,0,0]=3 17477 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,1,0,1,0,0|1,0,0]=3 17478 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,1,0,1,0,0|1,0,0]=3 17479 B10R1.37 N#CCCSC1CCC1=O 62a_100009892977_100011215226 [0,1,0,1,0,0|1,0,1]=4 17480 B10R1.37 N#CCCSC1CCC1=O 62a_100011215226_100009892977 [0,1,0,1,0,0|1,0,1]=4 17481 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,1,0,1,0,0|1,0,0]=3 17482 B10R1.37 NOCCOC1CCC1=O 34a_100000700252_100009892977 [0,1,0,1,0,0|2,0,0]=4 17483 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,1,0,1,0,0|1,0,0]=3 17484 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,1,0,1,0,0|1,0,0]=3 17485 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,1,0,1,0,0|1,0,0]=3 17486 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,1,0,1,0,0|1,0,0]=3 17487 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,1,0,1,0,0|1,0,0]=3 17488 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,1,0,1,0,0|1,0,0]=3 17489 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,1,0,1,0,0|1,0,0]=3 17490 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,1,0,1,0,0|1,0,0]=3 17491 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,1,0,1,0,0|1,0,0]=3 17492 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,1,0,1,0,0|1,0,0]=3 17493 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [0,1,0,1,0,0|1,0,1]=4 17494 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [0,1,0,1,0,0|1,0,1]=4 17495 B10R1.57 C#CCCCCN1CCC1 269982a_100000754969_100010269958 [0,1,0,1,0,0|1,0,1]=4 17496 B10R1.57 C#CCCCNC1CCC1 2230a_100000749019_100000731252 [0,1,0,1,0,0|1,0,1]=4 17497 B10R1.57 C#CCCCNC1CCC1 270004a_100000718082_100000241760 [0,1,0,1,0,0|1,0,1]=4 17498 B10R1.57 C#CCCCNC1CCC1 34a_100000718082_100000749161 [0,1,0,1,0,0|1,0,1]=4 17499 B10R1.57 C#CCCCNC1CCC1 34a_100000749019_100000695029 [0,1,0,1,0,0|1,0,1]=4 17500 B10R1.57 C#CCCCOC1CCC1 34a_100000215630_100000749161 [0,1,0,1,0,0|1,0,1]=4 17501 B10R1.57 C#CCCCOC1CCC1 34a_100000748187_100000695029 [0,1,0,1,0,0|1,0,1]=4 17502 B10R1.57 C#CCCCSC1CCC1 62a_100011215417_100000749161 [0,1,0,1,0,0|1,0,1]=4 17503 B10R1.57 C#CCCNCC1CCC1 2230a_100000738700_100000688953 [0,1,0,1,0,0|1,0,1]=4 17504 B10R1.57 C#CCCNCC1CCC1 34a_100000738700_100000688953 [0,1,0,1,0,0|1,0,1]=4 17505 B10R1.57 C#CCCNCC1CCC1 34a_100000755551_100000763275 [0,1,0,1,0,0|1,0,1]=4 17506 B10R1.57 C#CCCOCC1CCC1 34a_100000760304_100000688953 [0,1,0,1,0,0|1,0,1]=4 17507 B10R1.57 C#CCCOCC1CCC1 34a_100011215631_100000763275 [0,1,0,1,0,0|1,0,1]=4 17508 B10R1.57 C#CCCSCC1CCC1 62a_100000688953_100000763275 [0,1,0,1,0,0|1,0,1]=4 17509 B10R1.57 C#CCCSCC1CCC1 62a_100000763275_100000688953 [0,1,0,1,0,0|1,0,1]=4 17510 B10R1.57 C/C=C/CCOC1CCC1 34a_100016278192_100000749161 [0,1,0,1,0,0|1,0,1]=4 17511 B10R1.57 C/C=C/CNCC1CCC1 34a_100000738700_100102629194 [0,1,0,1,0,0|1,0,1]=4 17512 B10R1.57 C/C=C/COCC1CCC1 34a_100000760304_100102629194 [0,1,0,1,0,0|1,0,1]=4 17513 B10R1.57 C/C=C/COCC1CCC1 34a_100016270725_100000763275 [0,1,0,1,0,0|1,0,1]=4 17514 B10R1.57 C/C=C/CSCC1CCC1 62a_100000763275_100102629194 [0,1,0,1,0,0|1,0,1]=4 17515 B10R1.57 C/C=C/CSCC1CCC1 62a_100102629194_100000763275 [0,1,0,1,0,0|1,0,1]=4 17516 B10R1.57 C=CCCCCN1CCC1 269982a_100000754969_100011215482 [0,1,0,1,0,0|1,0,0]=3 17517 B10R1.57 C=CCCCNC1CCC1 2230a_100000749019_100011713584 [0,1,0,1,0,0|1,0,0]=3 17518 B10R1.57 C=CCCCNC1CCC1 270004a_100000700776_100000241760 [0,1,0,1,0,0|1,0,0]=3 17519 B10R1.57 C=CCCCNC1CCC1 34a_100000700776_100000749161 [0,1,0,1,0,0|1,0,0]=3 17520 B10R1.57 C=CCCCNC1CCC1 34a_100000749019_100000757094 [0,1,0,1,0,0|1,0,0]=3 17521 B10R1.57 C=CCCCNC1COC1 2230a_100016991112_100011713584 [0,1,0,1,0,0|2,0,0]=4 17522 B10R1.57 C=CCCCNC1COC1 34a_100000700776_100009818527 [0,1,0,1,0,0|2,0,0]=4 17523 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [0,1,0,1,0,0|1,0,0]=3 17524 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [0,1,0,1,0,0|1,0,0]=3 17525 B10R1.57 C=CCCCOC1COC1 34a_100000758997_100009818527 [0,1,0,1,0,0|2,0,0]=4 17526 B10R1.57 C=CCCCOC1COC1 7a_100000758997_100009818527 [0,1,0,1,0,0|2,0,0]=4 17527 B10R1.57 C=CCCCOC1CSC1 7a_100000072292_100000757094 [0,1,0,1,0,0|2,0,0]=4 17528 B10R1.57 C=CCCCSC1CCC1 62a_100011713584_100000749161 [0,1,0,1,0,0|1,0,0]=3 17529 B10R1.57 C=CCCCSC1COC1 62a_100011713584_100009818527 [0,1,0,1,0,0|2,0,0]=4 17530 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [0,1,0,1,0,0|1,0,0]=3 17531 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [0,1,0,1,0,0|1,0,0]=3 17532 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [0,1,0,1,0,0|1,0,0]=3 17533 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [0,1,0,1,0,0|1,0,0]=3 17534 B10R1.57 C=CCCNCC1CCO1 2230a_100015191253_100000103362 [0,1,0,1,0,0|2,0,0]=4 17535 B10R1.57 C=CCCNCC1COC1 2230a_100015191253_100010264016 [0,1,0,1,0,0|2,0,0]=4 17536 B10R1.57 C=CCCNCC1COC1 2230a_100015281925_100000754431 [0,1,0,1,0,0|2,0,0]=4 17537 B10R1.57 C=CCCNCC1COC1 34a_100015281925_100000754431 [0,1,0,1,0,0|2,0,0]=4 17538 B10R1.57 C=CCCNC[C@@H]1CCO1 2230a_100020831831_100000754431 [0,1,0,1,0,0|2,0,0]=4 17539 B10R1.57 C=CCCNC[C@@H]1CCO1 34a_100020831831_100000754431 [0,1,0,1,0,0|2,0,0]=4 17540 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [0,1,0,1,0,0|1,0,0]=3 17541 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [0,1,0,1,0,0|1,0,0]=3 17542 B10R1.57 C=CCCOCC1CCO1 34a_100000039022_100000754431 [0,1,0,1,0,0|2,0,0]=4 17543 B10R1.57 C=CCCOCC1CCO1 34a_100011205117_100000103362 [0,1,0,1,0,0|2,0,0]=4 17544 B10R1.57 C=CCCOCC1CNC1 34a_100016987283_100000754431 [0,1,0,1,0,0|2,0,0]=4 17545 B10R1.57 C=CCCOCC1COC1 34a_100000060846_100000754431 [0,1,0,1,0,0|2,0,0]=4 17546 B10R1.57 C=CCCOCC1COC1 34a_100011205117_100010264016 [0,1,0,1,0,0|2,0,0]=4 17547 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [0,1,0,1,0,0|1,0,0]=3 17548 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [0,1,0,1,0,0|1,0,0]=3 17549 B10R1.57 C=CCCSCC1CCO1 62a_100000103362_100000754431 [0,1,0,1,0,0|2,0,0]=4 17550 B10R1.57 C=CCCSCC1CCO1 62a_100000754431_100000103362 [0,1,0,1,0,0|2,0,0]=4 17551 B10R1.57 C=CCCSCC1COC1 62a_100000754431_100010264016 [0,1,0,1,0,0|2,0,0]=4 17552 B10R1.57 C=CCCSCC1COC1 62a_100010264016_100000754431 [0,1,0,1,0,0|2,0,0]=4 17553 B10R1.57 C=CCOCCC1COC1 34a_100009855314_100015514636 [0,1,0,1,0,0|2,0,0]=4 17554 B10R1.57 C=COCCNC1CCC1 2230a_100000749019_100000039644 [0,1,0,1,0,0|2,0,0]=4 17555 B10R1.57 C=COCCNC1CCC1 34a_100000749019_100000039644 [0,1,0,1,0,0|2,0,0]=4 17556 B10R1.57 C=COCCOC1CCC1 34a_100000033082_100000749161 [0,1,0,1,0,0|2,0,0]=4 17557 B10R1.57 C=COCCOC1CCC1 34a_100000748187_100000039644 [0,1,0,1,0,0|2,0,0]=4 17558 B10R1.57 C=COCCSC1CCC1 62a_100000039644_100000749161 [0,1,0,1,0,0|2,0,0]=4 17559 B10R1.57 CC=CCNCC1CCC1 2230a_100000738700_100000070051 [0,1,0,1,0,0|1,0,1]=4 17560 B10R1.57 CC=CCNCC1CCC1 34a_100000738700_100000070051 [0,1,0,1,0,0|1,0,1]=4 17561 B10R1.57 CC=CCOCC1CCC1 34a_100000760304_100000070051 [0,1,0,1,0,0|1,0,1]=4 17562 B10R1.57 CC=CCSCC1CCC1 62a_100000070051_100000763275 [0,1,0,1,0,0|1,0,1]=4 17563 B10R1.57 CC=CCSCC1CCC1 62a_100000763275_100000070051 [0,1,0,1,0,0|1,0,1]=4 17564 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,1,0,1,0,0|1,0,1]=4 17565 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,1,0,1,0,0|1,0,1]=4 17566 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,1,0,1,0,0|1,0,1]=4 17567 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,1,0,1,0,0|1,0,1]=4 17568 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [0,1,0,1,0,0|2,0,0]=4 17569 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,1,0,1,0,0|1,0,1]=4 17570 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,1,0,1,0,0|1,0,1]=4 17571 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [0,1,0,1,0,0|2,0,0]=4 17572 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [0,1,0,1,0,0|2,0,0]=4 17573 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [0,1,0,1,0,0|2,0,0]=4 17574 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,1,0,1,0,0|1,0,1]=4 17575 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [0,1,0,1,0,0|2,0,0]=4 17576 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,1,0,1,0,0|1,0,1]=4 17577 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,1,0,1,0,0|1,0,1]=4 17578 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,1,0,1,0,0|1,0,1]=4 17579 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,1,0,1,0,0|1,0,1]=4 17580 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,1,0,1,0,0|1,0,1]=4 17581 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,1,0,1,0,0|0,0,2]=4 17582 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,1,0,1,0,0|0,0,2]=4 17583 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [0,1,0,1,0,0|2,0,0]=4 17584 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [0,1,0,1,0,0|2,0,0]=4 17585 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [0,1,0,1,0,0|2,0,0]=4 17586 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [0,1,0,1,0,0|2,0,0]=4 17587 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,1,0,1,0,0|0,0,2]=4 17588 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,1,0,1,0,0|0,0,2]=4 17589 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,1,0,1,0,0|1,0,1]=4 17590 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,1,0,1,0,0|1,0,1]=4 17591 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,1,0,1,0,0|1,0,1]=4 17592 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,1,0,1,0,0|0,0,2]=4 17593 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,1,0,1,0,0|0,0,2]=4 17594 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,1,0,1,0,0|0,0,2]=4 17595 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [0,1,0,1,0,0|2,0,0]=4 17596 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [0,1,0,1,0,0|2,0,0]=4 17597 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [0,1,0,1,0,0|2,0,0]=4 17598 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [0,1,0,1,0,0|2,0,0]=4 17599 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,1,0,1,0,0|1,0,1]=4 17600 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,1,0,1,0,0|1,0,1]=4 17601 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,1,0,1,0,0|0,0,2]=4 17602 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,1,0,1,0,0|0,0,2]=4 17603 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [0,1,0,1,0,0|2,0,0]=4 17604 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [0,1,0,1,0,0|2,0,0]=4 17605 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [0,1,0,1,0,0|2,0,0]=4 17606 B10R1.57 CNCCCOC1CCC1 34a_100000213112_100000749161 [0,1,0,1,0,0|2,0,0]=4 17607 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [0,1,0,1,0,0|2,0,0]=4 17608 B10R1.57 COCCCNC1CCC1 2230a_100000749019_100000740836 [0,1,0,1,0,0|2,0,0]=4 17609 B10R1.57 COCCCNC1CCC1 270004a_100150723488_100000241760 [0,1,0,1,0,0|2,0,0]=4 17610 B10R1.57 COCCCNC1CCC1 34a_100000749019_100000740836 [0,1,0,1,0,0|2,0,0]=4 17611 B10R1.57 COCCCNC1CCC1 34a_100150723488_100000749161 [0,1,0,1,0,0|2,0,0]=4 17612 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [0,1,0,1,0,0|2,0,0]=4 17613 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [0,1,0,1,0,0|2,0,0]=4 17614 B10R1.57 COCCCSC1CCC1 62a_100000709357_100000749161 [0,1,0,1,0,0|2,0,0]=4 17615 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [0,1,0,1,0,0|2,0,0]=4 17616 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [0,1,0,1,0,0|2,0,0]=4 17617 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [0,1,0,1,0,0|2,0,0]=4 17618 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [0,1,0,1,0,0|2,0,0]=4 17619 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [0,1,0,1,0,0|2,0,0]=4 17620 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [0,1,0,1,0,0|2,0,0]=4 17621 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [0,1,0,1,0,0|2,0,0]=4 17622 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [0,1,0,1,0,0|2,0,0]=4 17623 B10R1.57 CSCCCNC1CCC1 270004a_100000749238_100000241760 [0,1,0,1,0,0|2,0,0]=4 17624 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [0,1,0,1,0,0|2,0,0]=4 17625 B10R1.57 CSCCNCC1CCC1 2230a_100000738700_100000751147 [0,1,0,1,0,0|2,0,0]=4 17626 B10R1.57 CSCCNCC1CCC1 2230a_100020590264_100000763275 [0,1,0,1,0,0|2,0,0]=4 17627 B10R1.57 CSCCNCC1CCC1 269862a_100020590264_100000753134 [0,1,0,1,0,0|2,0,0]=4 17628 B10R1.57 CSCCNCC1CCC1 34a_100000738700_100000212216 [0,1,0,1,0,0|2,0,0]=4 17629 B10R1.57 CSCCOCC1CCC1 34a_100000230434_100000763275 [0,1,0,1,0,0|2,0,0]=4 17630 B10R1.57 CSCCOCC1CCC1 34a_100000760304_100000212216 [0,1,0,1,0,0|2,0,0]=4 17631 B10R1.57 CSCCOCC1CCC1 7a_100000230434_100000763275 [0,1,0,1,0,0|2,0,0]=4 17632 B10R1.57 CSCCSCC1CCC1 62a_100000212216_100000763275 [0,1,0,1,0,0|2,0,0]=4 17633 B10R1.57 CSCCSCC1CCC1 62a_100000763275_100000751147 [0,1,0,1,0,0|2,0,0]=4 17634 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [0,1,0,1,0,0|1,0,1]=4 17635 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [0,1,0,1,0,0|1,0,1]=4 17636 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [0,1,0,1,0,0|1,0,1]=4 17637 B10R1.57 FCCCCNC1CCC1 2230a_100000749019_100000729493 [0,1,0,1,0,0|1,0,1]=4 17638 B10R1.57 FCCCCNC1CCC1 34a_100000749019_100000729493 [0,1,0,1,0,0|1,0,1]=4 17639 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [0,1,0,1,0,0|1,0,1]=4 17640 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [0,1,0,1,0,0|1,0,1]=4 17641 B10R1.57 FCCCCSC1CCC1 62a_100000729493_100000749161 [0,1,0,1,0,0|1,0,1]=4 17642 B10R1.57 FCCCNCC1CCC1 2230a_100000738700_100011934791 [0,1,0,1,0,0|1,0,1]=4 17643 B10R1.57 FCCCNCC1CCC1 2230a_100015189416_100000763275 [0,1,0,1,0,0|1,0,1]=4 17644 B10R1.57 FCCCNCC1CCC1 269862a_100015189416_100000753134 [0,1,0,1,0,0|1,0,1]=4 17645 B10R1.57 FCCCNCC1CCC1 34a_100000738700_100011934791 [0,1,0,1,0,0|1,0,1]=4 17646 B10R1.57 FCCCNCC1CCC1 34a_100015189416_100000763275 [0,1,0,1,0,0|1,0,1]=4 17647 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [0,1,0,1,0,0|1,0,1]=4 17648 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [0,1,0,1,0,0|1,0,1]=4 17649 B10R1.57 FCCCSCC1CCC1 62a_100000763275_100011934791 [0,1,0,1,0,0|1,0,1]=4 17650 B10R1.57 FCCCSCC1CCC1 62a_100011934791_100000763275 [0,1,0,1,0,0|1,0,1]=4 17651 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [0,1,0,1,0,0|1,0,1]=4 17652 B10R1.57 N#CCCCCN1CCC1 269982a_100000754969_100011219923 [0,1,0,1,0,0|1,0,1]=4 17653 B10R1.57 N#CCCCNC1CCC1 2230a_100000749019_100000687738 [0,1,0,1,0,0|1,0,1]=4 17654 B10R1.57 N#CCCCSC1CCC1 62a_100000687738_100000749161 [0,1,0,1,0,0|1,0,1]=4 17655 B10R1.57 N#CCCNCC1CCC1 2230a_100000738700_100011215226 [0,1,0,1,0,0|1,0,1]=4 17656 B10R1.57 N#CCCSCC1CCC1 62a_100000763275_100011215226 [0,1,0,1,0,0|1,0,1]=4 17657 B10R1.57 N#CCCSCC1CCC1 62a_100011215226_100000763275 [0,1,0,1,0,0|1,0,1]=4 17658 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [0,1,0,1,0,0|1,0,1]=4 17659 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [0,1,0,1,0,0|1,0,1]=4 17660 B10R1.57 NOCCOCC1CCC1 34a_100000700252_100000763275 [0,1,0,1,0,0|2,0,0]=4 17661 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [0,1,0,1,0,0|0,0,0]=2 17662 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [0,1,0,1,0,0|0,0,0]=2 17663 B10R1.57 O=CCCCNC1COC1 2230a_100016991112_200011292268 [0,1,0,1,0,0|1,0,0]=3 17664 B10R1.57 O=CCCCOC1CSC1 7a_100000072292_200011292268 [0,1,0,1,0,0|1,0,0]=3 17665 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [0,1,0,1,0,0|0,0,0]=2 17666 B10R1.57 O=CCCCSC1COC1 62a_200011292268_100009818527 [0,1,0,1,0,0|1,0,0]=3 17667 B10R1.57 O=CCOCCC1COC1 34a_100009855314_200009817547 [0,1,0,1,0,0|1,0,0]=3 17668 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,1,0,1,0,0|0,0,2]=4 17669 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [0,1,0,1,0,0|0,0,2]=4 17670 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [0,1,0,1,0,0|0,0,2]=4 17671 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [0,1,0,1,0,0|0,0,2]=4 17672 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [0,1,0,1,0,0|0,0,2]=4 17673 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [0,1,0,1,0,0|0,0,2]=4 17674 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [0,1,0,1,0,0|0,0,2]=4 17675 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [0,1,0,1,0,0|0,0,2]=4 17676 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [0,1,0,1,0,0|0,0,2]=4 17677 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [0,1,0,1,0,0|0,0,2]=4 17678 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [0,1,0,1,0,0|0,0,2]=4 17679 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [0,1,0,1,0,0|0,0,2]=4 17680 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [0,1,0,1,0,0|0,0,2]=4 17681 B10R1.132 C=CCN1CCC1COC 2230a_100015195929_100000210623 [0,1,0,1,0,0|2,0,0]=4 17682 B10R1.132 C=CCN1CCC1COC 269982a_100015195929_100000210623 [0,1,0,1,0,0|2,0,0]=4 17683 B10R1.132 C=CCN1CCC1COC 34a_100015195929_100015514636 [0,1,0,1,0,0|2,0,0]=4 17684 B10R1.132 CCCN1CCC1COC 2230a_100015195929_100000210303 [0,1,0,1,0,0|2,0,0]=4 17685 B10R1.132 CCCN1CCC1COC 269982a_100015195929_100000210303 [0,1,0,1,0,0|2,0,0]=4 17686 B10R1.132 CCCN1CCC1COC 34a_100015195929_100000210303 [0,1,0,1,0,0|2,0,0]=4 17687 B10R1.132 COCC1CCN1CC=O 2230a_100015195929_200015260668 [0,1,0,1,0,0|1,0,0]=3 17688 B10R1.132 COCC1CCN1CC=O 269982a_100015195929_200015260668 [0,1,0,1,0,0|1,0,0]=3 17689 B10R1.132 COCC1CCN1CC=O 34a_100015195929_200009817547 [0,1,0,1,0,0|1,0,0]=3 17690 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,1,0,1,0,0|1,0,1]=4 17691 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,1,0,1,0,0|1,0,1]=4 17692 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,1,0,1,0,0|1,0,1]=4 17693 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,1,0,1,0,0|1,0,1]=4 17694 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,1,0,1,0,0|1,0,1]=4 17695 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,1,0,1,0,0|1,0,1]=4 17696 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|1,0,0]=3 17697 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|0,0,2]=4 17698 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|0,0,2]=4 17699 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,1,0,1,0,0|1,0,1]=4 17700 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,1,0,1,0,0|1,0,1]=4 17701 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,1,0,1,0,0|1,0,1]=4 17702 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,1,0,1,0,0|1,0,1]=4 17703 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|1,0,0]=3 17704 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|0,0,2]=4 17705 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|0,0,2]=4 17706 B10R1.1 C=C1CCN(CC1)CC=O 2230a_100000752442_200015260668 [0,1,0,1,0,0|1,0,1]=4 17707 B10R1.1 C=C1CCN(CC1)CC=O 269982a_100000752442_200015260668 [0,1,0,1,0,0|1,0,1]=4 17708 B10R1.1 C=C1CCN(CC1)CC=O 34a_100000752442_200009817547 [0,1,0,1,0,0|1,0,1]=4 17709 B10R1.1 C=CCN1CCC(CC1)C 2230a_100000188429_100000210623 [0,1,0,1,0,0|2,0,0]=4 17710 B10R1.1 C=CCN1CCC(CC1)C 269982a_100000188429_100000210623 [0,1,0,1,0,0|2,0,0]=4 17711 B10R1.1 C=CCN1CCC(CC1)C 34a_100000188429_100015514636 [0,1,0,1,0,0|2,0,0]=4 17712 B10R1.1 C=CCN1CCC(CC1)F 2230a_100015193889_100000210623 [0,1,0,1,0,0|2,0,0]=4 17713 B10R1.1 C=CCN1CCC(CC1)F 269982a_100015193889_100000210623 [0,1,0,1,0,0|2,0,0]=4 17714 B10R1.1 C=CCN1CCC(CC1)F 34a_100015193889_100015514636 [0,1,0,1,0,0|2,0,0]=4 17715 B10R1.1 C=CCN1CCC(CC1)O 2230a_100025773856_100000210623 [0,1,0,1,0,0|2,0,0]=4 17716 B10R1.1 C=CCN1CCC(CC1)O 269982a_100025773856_100000210623 [0,1,0,1,0,0|2,0,0]=4 17717 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,1,0,1,0,0|2,0,0]=4 17718 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,1,0,1,0,0|2,0,0]=4 17719 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,1,0,1,0,0|2,0,0]=4 17720 B10R1.1 CC1CCN(CC1)CC=O 2230a_100000188429_200015260668 [0,1,0,1,0,0|1,0,0]=3 17721 B10R1.1 CC1CCN(CC1)CC=O 269982a_100000188429_200015260668 [0,1,0,1,0,0|1,0,0]=3 17722 B10R1.1 CC1CCN(CC1)CC=O 34a_100000188429_200009817547 [0,1,0,1,0,0|1,0,0]=3 17723 B10R1.1 CN1CCN(CC1)CC=O 2230a_100000188432_200015260668 [0,1,0,1,0,0|2,0,0]=4 17724 B10R1.1 CN1CCN(CC1)CC=O 269982a_100000188432_200015260668 [0,1,0,1,0,0|2,0,0]=4 17725 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,1,0,1,0,0|2,0,0]=4 17726 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,1,0,1,0,0|2,0,0]=4 17727 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,1,0,1,0,0|2,0,0]=4 17728 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,1,0,1,0,0|2,0,0]=4 17729 B10R1.1 O=CCN1CCC(CC1)F 2230a_100015193889_200015260668 [0,1,0,1,0,0|1,0,0]=3 17730 B10R1.1 O=CCN1CCC(CC1)F 269982a_100015193889_200015260668 [0,1,0,1,0,0|1,0,0]=3 17731 B10R1.1 O=CCN1CCC(CC1)F 34a_100015193889_200009817547 [0,1,0,1,0,0|1,0,0]=3 17732 B10R1.1 O=CCN1CCC(CC1)O 2230a_100025773856_200015260668 [0,1,0,1,0,0|1,0,0]=3 17733 B10R1.1 O=CCN1CCC(CC1)O 269982a_100025773856_200015260668 [0,1,0,1,0,0|1,0,0]=3 17734 B10R1.1 O=CCN1CCS(=O)CC1 2230a_100000752083_200015260668 [0,1,0,1,0,0|2,0,0]=4 17735 B10R1.1 O=CCN1CCS(=O)CC1 269982a_100000752083_200015260668 [0,1,0,1,0,0|2,0,0]=4 17736 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,1,0,1,0,0|2,0,0]=4 17737 B10R1.2 CC1CCCC(C1C)N[13CH3] 2230a_100000211273_200025704644 [0,1,0,1,0,0|2,0,0]=4 17738 B10R1.2 CC1CCCC(C1C)N[13CH3] 34a_100000211273_200025704644 [0,1,0,1,0,0|2,0,0]=4 17739 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,1,0,1,0,0|2,0,0]=4 17740 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,1,0,1,0,0|2,0,0]=4 17741 B10R1.2 CNC1CCCC(C1C)C 2230a_100000211273_200000210301 [0,1,0,1,0,0|2,0,0]=4 17742 B10R1.2 CNC1CCCC(C1C)C 34a_100000211273_200000210301 [0,1,0,1,0,0|2,0,0]=4 17743 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,1,0,1,0,0|2,0,0]=4 17744 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,1,0,1,0,0|2,0,0]=4 17745 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|1,0,1]=4 17746 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,1,0,0|2,0,0]=4 17747 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,1,0,0|2,0,0]=4 17748 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,1,0,0|1,0,1]=4 17749 B10R1.15 CCN(C)C1C=CCCC1 2230a_100000225621_100000751183 [0,1,0,1,0,0|2,0,0]=4 17750 B10R1.15 CCN(C)C1C=CCCC1 269982a_100000225621_100000751183 [0,1,0,1,0,0|2,0,0]=4 17751 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,1,0,1,0,0|2,0,0]=4 17752 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,1,0,1,0,0|2,0,0]=4 17753 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,1,0,1,0,0|2,0,0]=4 17754 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,1,0,0|2,0,0]=4 17755 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,1,0,0|2,0,0]=4 17756 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,1,0,1,0,0|2,0,0]=4 17757 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,1,0,1,0,0|2,0,0]=4 17758 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,1,0,0|1,0,1]=4 17759 B10R1.27 C=CC(C)OC1CCCC1 34a_100000695699_100000179811 [0,1,0,1,0,0|2,0,0]=4 17760 B10R1.27 C=CC(C)SC1CCCC1 62a_100011215867_100000179811 [0,1,0,1,0,0|2,0,0]=4 17761 B10R1.27 C=CC(O)CN1CCCC1 2230a_100000188435_100000730141 [0,1,0,1,0,0|2,0,0]=4 17762 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,1,0,1,0,0|1,0,1]=4 17763 B10R1.27 CNC(C)CC1C=CCC1 270004a_106832991635_100000116859 [0,1,0,1,0,0|2,0,0]=4 17764 B10R1.27 CNC(C)CC1CCCC1 270004a_106832991635_100000692464 [0,1,0,1,0,0|2,0,0]=4 17765 B10R1.70 C=CCCCNC1(CC1)C 2230a_100000757604_100011713584 [0,1,0,1,0,0|2,0,0]=4 17766 B10R1.70 C=CCCCOC1(CC1)C 7a_100011725673_100000757094 [0,1,0,1,0,0|2,0,0]=4 17767 B10R1.70 C=CCCNCC1(CC1)C 2230a_100000766693_100000754431 [0,1,0,1,0,0|2,0,0]=4 17768 B10R1.70 C=CCCNCC1(CC1)O 2230a_100011936951_100000754431 [0,1,0,1,0,0|2,0,0]=4 17769 B10R1.70 C=CCCOCC1(CC1)C 7a_100000698024_100000754431 [0,1,0,1,0,0|2,0,0]=4 17770 B10R1.70 C=CCCOCC1(CC1)F 34a_200000703853_100000754431 [0,1,0,1,0,0|2,0,0]=4 17771 B10R1.70 C=CCCOCC1(CC1)F 7a_200000703853_100000754431 [0,1,0,1,0,0|2,0,0]=4 17772 B10R1.70 CC1(CC1)NCCCC=O 2230a_100000757604_200011292268 [0,1,0,1,0,0|1,0,0]=3 17773 B10R1.70 CC1(CC1)OCCCC=O 7a_100011725673_200011292268 [0,1,0,1,0,0|1,0,0]=3 17774 B10R1.94 CCNC1CCN(C1=O)C 2230a_100015525214_100000755940 [0,1,0,1,0,0|2,0,0]=4 17775 B10R1.94 CCOC1CCN(C1=O)C 34a_100121572206_100000755940 [0,1,0,1,0,0|2,0,0]=4 17776 B10R1.94 CCSC1CCN(C1=O)C 62a_100000210202_100000755940 [0,1,0,1,0,0|2,0,0]=4 17777 B10R1.94 CCSC1CCN(C1=O)C 62a_100000755940_100000210202 [0,1,0,1,0,0|2,0,0]=4 17778 B10R1.94 CN1CCC(C1=O)CO[13CH3] 34a_100009823153_200025704644 [0,1,0,1,0,0|2,0,0]=4 17779 B10R1.94 COCC1CCN(C1=O)C 34a_100009823153_200000210301 [0,1,0,1,0,0|2,0,0]=4 17780 B10R1.149 C=CC(C)N1CCC[C@@H]1C 269982a_100020605311_100011215867 [0,1,0,1,0,0|2,0,0]=4 17781 B10R1.149 C=CC(C)N1CCC[C@H]1C 269982a_100015189458_100011215867 [0,1,0,1,0,0|2,0,0]=4 17782 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|0,0,1]=3 17783 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|1,0,1]=4 17784 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [0,1,0,1,0,0|1,0,0]=3 17785 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [0,1,0,1,0,0|1,0,0]=3 17786 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 17787 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 17788 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,1,0,0|1,0,1]=4 17789 B10R1.151 C=CC(C)COC1CCC1 34a_100011215527_100000749161 [0,1,0,1,0,0|2,0,0]=4 17790 B10R1.151 C=CC(C)OCC1CCC1 34a_100000695699_100000763275 [0,1,0,1,0,0|2,0,0]=4 17791 B10R1.151 C=CC(C)SCC1CCC1 62a_100011215867_100000763275 [0,1,0,1,0,0|2,0,0]=4 17792 B10R1.151 C=CC(O)CNC1CCC1 2230a_100000749019_100000730141 [0,1,0,1,0,0|2,0,0]=4 17793 B10R1.151 C=CC(O)CNC1CCC1 34a_100000749019_100000730141 [0,1,0,1,0,0|2,0,0]=4 17794 B10R1.151 C=CC(O)COC1CCC1 34a_100000748187_100000730141 [0,1,0,1,0,0|2,0,0]=4 17795 B10R1.151 C=CC(O)CSC1CCC1 62a_100000730141_100000749161 [0,1,0,1,0,0|2,0,0]=4 17796 B10R1.151 C=C[C@H](N)COC1CCC1 34a_100016989147_100000749161 [0,1,0,1,0,0|2,0,0]=4 17797 B10R1.153 C=CC(C)COCC1CC1 34a_100011215527_100000742324 [0,1,0,1,0,0|2,0,0]=4 17798 B10R1.153 C=CC(C)COCC1CC1 7a_100011215527_100000742324 [0,1,0,1,0,0|2,0,0]=4 17799 B10R1.153 C=CC(C)OCCC1CC1 34a_100000695699_100000694398 [0,1,0,1,0,0|2,0,0]=4 17800 B10R1.153 C=CC(C)SCCC1CC1 62a_100011215867_100000764125 [0,1,0,1,0,0|2,0,0]=4 17801 B10R1.153 C=CC(O)CNCC1CC1 2230a_100000735609_100000730141 [0,1,0,1,0,0|2,0,0]=4 17802 B10R1.153 C=CC(O)CNCC1CC1 34a_100000735609_100000730141 [0,1,0,1,0,0|2,0,0]=4 17803 B10R1.153 C=CC(O)COCC1CC1 34a_100000211283_100000730141 [0,1,0,1,0,0|2,0,0]=4 17804 B10R1.153 C=CC(O)CSCC1CC1 62a_100000730141_100000742324 [0,1,0,1,0,0|2,0,0]=4 17805 B10R1.153 C=CC(O)CSCC1CC1 62a_100000756562_100000730141 [0,1,0,1,0,0|2,0,0]=4 17806 B10R1.153 C=C[C@H](N)COCC1CC1 34a_100016989147_100000742324 [0,1,0,1,0,0|2,0,0]=4 17807 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [0,1,0,1,0,0|2,0,0]=4 17808 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,1,0,1,0,0|2,0,0]=4 17809 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,1,0,1,0,0|2,0,0]=4 17810 B10R1.217 C=CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000754431 [0,1,0,1,0,0|2,0,0]=4 17811 B10R1.217 C=CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000754431 [0,1,0,1,0,0|2,0,0]=4 17812 B10R1.232 CC1(CCCCCC1)N[13CH3] 2230a_100000704638_200025704644 [0,1,0,1,0,0|2,0,0]=4 17813 B10R1.232 CC1(CCCCCC1)N[13CH3] 34a_100000704638_200025704644 [0,1,0,1,0,0|2,0,0]=4 17814 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [0,1,0,1,0,0|2,0,0]=4 17815 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [0,1,0,1,0,0|2,0,0]=4 17816 B10R1.232 CNC1(CCCCCC1)C 2230a_100000704638_200000210301 [0,1,0,1,0,0|2,0,0]=4 17817 B10R1.232 CNC1(CCCCCC1)C 34a_100000704638_200000210301 [0,1,0,1,0,0|2,0,0]=4 17818 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [0,1,0,1,0,0|2,0,0]=4 17819 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [0,1,0,1,0,0|2,0,0]=4 17820 B10R1.463 C=CC(O)CN1CCC1C 34a_100000755817_100000730141 [0,1,0,1,0,0|2,0,0]=4 17821 B10R1.463 CC(CF)OC1CCC1=O 34a_100016041109_100009892977 [0,1,0,1,0,0|2,0,0]=4 17822 B10R1.463 CC(CF)OC1CCC1=O 7a_100016041109_100009892977 [0,1,0,1,0,0|2,0,0]=4 17823 B10R1.463 CC(CN)OC1CCC1=O 34a_100000210904_100009892977 [0,1,0,1,0,0|2,0,0]=4 17824 B10R1.463 CC(CO)SC1CCC1=O 62a_100012180447_100009892977 [0,1,0,1,0,0|2,0,0]=4 17825 B10R1.463 CCC(C)OC1CCC1=O 7a_100000210228_100009892977 [0,1,0,1,0,0|1,0,0]=3 17826 B10R1.463 CCC(C)SC1CCC1=O 62a_100000758301_100009892977 [0,1,0,1,0,0|1,0,0]=3 17827 B10R1.463 CCC(C)SC1CCC1=O 62a_100009892977_100000758301 [0,1,0,1,0,0|1,0,0]=3 17828 B10R1.463 COC(C)SC1CCC1=O 62a_100009879195_100009892977 [0,1,0,1,0,0|2,0,0]=4 17829 B10R1.463 COC(C)SC1CCC1=O 62a_100009892977_100009879195 [0,1,0,1,0,0|2,0,0]=4 17830 B10R1.463 C[C@H](CO)SC1CCC1=O 62a_100009892977_100016084084 [0,1,0,1,0,0|2,0,0]=4 17831 B10R1.463 C[C@H](CO)SC1CCC1=O 62a_100016084084_100009892977 [0,1,0,1,0,0|2,0,0]=4 17832 B10R2.58 C=CCN1CC2CC2C1 2230a_100000741873_100000210623 [0,0,0,2,0,0|2,0,0]=4 17833 B10R2.58 C=CCN1CC2CC2C1 269982a_100000741873_100000210623 [0,0,0,2,0,0|2,0,0]=4 17834 B10R2.58 C=CCN1CC2CC2C1 34a_100000741873_100015514636 [0,0,0,2,0,0|2,0,0]=4 17835 B10R2.58 O=CCN1CC2CC2C1 2230a_100000741873_200015260668 [0,0,0,2,0,0|1,0,0]=3 17836 B10R2.58 O=CCN1CC2CC2C1 269982a_100000741873_200015260668 [0,0,0,2,0,0|1,0,0]=3 17837 B10R2.58 O=CCN1CC2CC2C1 34a_100000741873_200009817547 [0,0,0,2,0,0|1,0,0]=3 17838 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 17839 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 17840 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 17841 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 17842 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 17843 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 17844 B10R2.161 CNC1C2CCC1CC2 34a_100102657272_100009813300 [0,0,0,2,0,0|2,0,0]=4 17845 B10R2.161 COC1C2CCC1CC2 34a_100138415774_100009813300 [0,0,0,2,0,0|2,0,0]=4 17846 B10R2.161 CSC1C2CCC1CC2 62a_100009813300_200000210301 [0,0,0,2,0,0|2,0,0]=4 17847 B10R2.161 CSC1C2CCC1CC2 62a_200000210301_100009813300 [0,0,0,2,0,0|2,0,0]=4 17848 B10R2.161 [13CH3]SC1C2CCC1CC2 62a_100009813300_200025704644 [0,0,0,2,0,0|2,0,0]=4 17849 B10R2.161 [13CH3]SC1C2CCC1CC2 62a_200025704644_100009813300 [0,0,0,2,0,0|2,0,0]=4 17850 B10R2.99 CCN1CC2C=CC1C2 2230a_100000732668_100000210202 [0,0,0,2,0,0|2,0,0]=4 17851 B10R2.99 CCN1CC2C=CC1C2 269982a_100000732668_100000204670 [0,0,0,2,0,0|2,0,0]=4 17852 B10R2.99 CCN1CC2C=CC1C2 34a_100000732668_100000210202 [0,0,0,2,0,0|2,0,0]=4 17853 B10R2.99 CNC1CC2CCC1C2 2230a_100000758229_200000210301 [0,0,0,2,0,0|2,0,0]=4 17854 B10R2.99 CNC1CC2CCC1C2 269862a_106832991636_100000223372 [0,0,0,2,0,0|2,0,0]=4 17855 B10R2.99 CNC1CC2CCC1C2 270004a_106832991635_100000223372 [0,0,0,2,0,0|2,0,0]=4 17856 B10R2.99 CNC1CC2CCC1C2 34a_100000758229_200000210301 [0,0,0,2,0,0|2,0,0]=4 17857 B10R2.99 CNC1CC2CCC1C2 34a_100102657272_100000727232 [0,0,0,2,0,0|2,0,0]=4 17858 B10R2.99 COC1CC2C=CC1C2 34a_100000043678_200000210301 [0,0,0,2,0,0|2,0,0]=4 17859 B10R2.99 COC1CC2CCC1C2 34a_100000211339_200000210301 [0,0,0,2,0,0|2,0,0]=4 17860 B10R2.99 COC1CC2CCC1C2 34a_100138415774_100000727232 [0,0,0,2,0,0|2,0,0]=4 17861 B10R2.99 CSC1CC2CCC1C2 62a_100000727232_200000210301 [0,0,0,2,0,0|2,0,0]=4 17862 B10R2.99 CSC1CC2CCC1C2 62a_200000210301_100000727232 [0,0,0,2,0,0|2,0,0]=4 17863 B10R2.99 [13CH3]NC1CC2CCC1C2 2230a_100000758229_200025704644 [0,0,0,2,0,0|2,0,0]=4 17864 B10R2.99 [13CH3]NC1CC2CCC1C2 34a_100000758229_200025704644 [0,0,0,2,0,0|2,0,0]=4 17865 B10R2.99 [13CH3]OC1CC2C=CC1C2 34a_100000043678_200025704644 [0,0,0,2,0,0|2,0,0]=4 17866 B10R2.99 [13CH3]OC1CC2CCC1C2 34a_100000211339_200025704644 [0,0,0,2,0,0|2,0,0]=4 17867 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_100000727232_200025704644 [0,0,0,2,0,0|2,0,0]=4 17868 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_200025704644_100000727232 [0,0,0,2,0,0|2,0,0]=4 17869 B10R2.8 CNC1CCCC12CC2 269862a_106832991636_100009881796 [0,0,0,2,0,0|2,0,0]=4 17870 B10R2.402 CNC1CCCC2C1C2 269862a_106832991636_100000697651 [0,0,0,2,0,0|2,0,0]=4 17871 B10R2.324 O=C1CCC1N2CCC2 269982a_100000754969_100009892977 [0,0,0,2,0,0|1,0,0]=3 17872 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 17873 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 17874 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 17875 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 17876 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 17877 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 34a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 17878 B10R2.21 CN1CCCC1C2CC2 2230a_200000757794_200000210301 [0,0,0,2,0,0|2,0,0]=4 17879 B10R2.21 CN1CCCC1C2CC2 269982a_200000757794_200000210301 [0,0,0,2,0,0|2,0,0]=4 17880 B10R2.21 CN1CCCC1C2CC2 34a_200000757794_200000210301 [0,0,0,2,0,0|2,0,0]=4 17881 B10R2.21 [13CH3]N1CCCC1C2CC2 2230a_200000757794_200025704644 [0,0,0,2,0,0|2,0,0]=4 17882 B10R2.21 [13CH3]N1CCCC1C2CC2 269982a_200000757794_200025704644 [0,0,0,2,0,0|2,0,0]=4 17883 B10R2.21 [13CH3]N1CCCC1C2CC2 34a_200000757794_200025704644 [0,0,0,2,0,0|2,0,0]=4 17884 B10R2.27 O=C1CCC1NC2CC2 34a_100000212008_100009892977 [0,0,0,2,0,0|1,0,0]=3 17885 B10R2.27 O=C1CCC1SC2CC2 62a_100009892977_100000211595 [0,0,0,2,0,0|1,0,0]=3