0 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [0,0,0,0,0,0|1,0,3]=4 13 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.45 C#CCCCCNCC=O 2230a_100000706060_200015260668 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.45 C#CCCCCNCC=O 34a_100000706060_200009817547 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.45 C#CCCCCOCC=O 34a_100000766709_200009817547 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.45 C#CCCCCOCC=O 7a_100000766709_200015260668 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.45 C#CCCCCSCC=O 62a_100010269958_200015260668 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.45 C#CCCCCSCC=O 62a_200015260668_100010269958 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.45 C#CCCSCCCC=O 62a_100000688953_200011292268 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.45 C#CCCSCCCC=O 62a_200011292268_100000688953 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.45 C#CCSCCCCC=O 62a_100000038162_100000139335 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,0,0,0,0,0|3,0,0]=3 57 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [0,0,0,0,0,0|4,0,0]=4 58 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,0,0,0,0,0|4,0,0]=4 59 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [0,0,0,0,0,0|4,0,0]=4 60 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [0,0,0,0,0,0|4,0,0]=4 61 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [0,0,0,0,0,0|4,0,0]=4 62 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [0,0,0,0,0,0|4,0,0]=4 63 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [0,0,0,0,0,0|4,0,0]=4 64 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [0,0,0,0,0,0|4,0,0]=4 65 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,0,0,0,0,0|3,0,0]=3 66 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,0,0,0,0,0|3,0,0]=3 67 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,0,0,0,0,0|3,0,0]=3 68 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [0,0,0,0,0,0|4,0,0]=4 69 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [0,0,0,0,0,0|4,0,0]=4 73 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [0,0,0,0,0,0|4,0,0]=4 74 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [0,0,0,0,0,0|4,0,0]=4 77 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [0,0,0,0,0,0|4,0,0]=4 78 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [0,0,0,0,0,0|4,0,0]=4 79 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [0,0,0,0,0,0|4,0,0]=4 80 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [0,0,0,0,0,0|4,0,0]=4 81 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [0,0,0,0,0,0|4,0,0]=4 82 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [0,0,0,0,0,0|4,0,0]=4 83 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [0,0,0,0,0,0|4,0,0]=4 84 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [0,0,0,0,0,0|4,0,0]=4 85 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [0,0,0,0,0,0|4,0,0]=4 86 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [0,0,0,0,0,0|4,0,0]=4 87 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [0,0,0,0,0,0|2,0,2]=4 88 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,0,0,0,0,0|3,0,0]=3 90 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,0,0,0,0,0|3,0,0]=3 91 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [0,0,0,0,0,0|4,0,0]=4 92 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [0,0,0,0,0,0|4,0,0]=4 93 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,0,0,0,0,0|4,0,0]=4 94 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,0,0,0,0,0|4,0,0]=4 95 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [0,0,0,0,0,0|4,0,0]=4 96 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [0,0,0,0,0,0|4,0,0]=4 98 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [0,0,0,0,0,0|4,0,0]=4 99 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [0,0,0,0,0,0|4,0,0]=4 100 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [0,0,0,0,0,0|4,0,0]=4 101 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,0,0,0,0,0|3,0,0]=3 103 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,0,0,0,0,0|3,0,0]=3 104 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,0,0,0,0,0|3,0,0]=3 105 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,0,0,0,0,0|3,0,0]=3 106 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,0,0,0,0,0|3,0,0]=3 107 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,0,0,0,0,0|3,0,0]=3 108 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,0,0,0,0,0|3,0,0]=3 109 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,0,0,0,0,0|3,0,0]=3 110 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,0,0,0,0,0|3,0,0]=3 111 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,0,0,0,0,0|3,0,0]=3 113 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,0,0,0,0,0|3,0,0]=3 114 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,0,0,0,0,0|3,0,0]=3 115 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,0,0,0,0,0|3,0,0]=3 116 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,0,0,0,0,0|3,0,0]=3 117 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [0,0,0,0,0,0|4,0,0]=4 118 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [0,0,0,0,0,0|4,0,0]=4 119 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,0,0,0,0,0|3,0,0]=3 120 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,0,0,0,0,0|3,0,0]=3 121 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [0,0,0,0,0,0|4,0,0]=4 122 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [0,0,0,0,0,0|4,0,0]=4 123 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [0,0,0,0,0,0|2,0,2]=4 124 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,0,0,0,0,0|3,0,0]=3 126 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,0,0,0,0,0|3,0,0]=3 127 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [0,0,0,0,0,0|4,0,0]=4 128 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [0,0,0,0,0,0|4,0,0]=4 129 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [0,0,0,0,0,0|4,0,0]=4 130 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,0,0,0,0,0|4,0,0]=4 131 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,0,0,0,0,0|4,0,0]=4 132 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,0,0,0,0,0|4,0,0]=4 133 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,0,0,0,0,0|4,0,0]=4 134 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [0,0,0,0,0,0|4,0,0]=4 135 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [0,0,0,0,0,0|4,0,0]=4 136 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [0,0,0,0,0,0|4,0,0]=4 137 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [0,0,0,0,0,0|2,0,2]=4 138 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [0,0,0,0,0,0|2,0,2]=4 139 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [0,0,0,0,0,0|4,0,0]=4 140 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,0,0,0,0,0|3,0,0]=3 141 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,0,0,0,0,0|3,0,0]=3 142 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,0,0,0,0,0|3,0,0]=3 143 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [0,0,0,0,0,0|4,0,0]=4 144 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [0,0,0,0,0,0|4,0,0]=4 145 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [0,0,0,0,0,0|4,0,0]=4 146 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,0,0,0,0,0|4,0,0]=4 147 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,0,0,0,0,0|4,0,0]=4 148 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [0,0,0,0,0,0|4,0,0]=4 149 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [0,0,0,0,0,0|2,0,2]=4 150 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [0,0,0,0,0,0|2,0,2]=4 151 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,0,0,0,0,0|3,0,0]=3 153 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [0,0,0,0,0,0|4,0,0]=4 154 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [0,0,0,0,0,0|4,0,0]=4 155 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,0,0,0,0,0|4,0,0]=4 156 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,0,0,0,0,0|4,0,0]=4 157 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [0,0,0,0,0,0|4,0,0]=4 158 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [0,0,0,0,0,0|4,0,0]=4 159 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [0,0,0,0,0,0|4,0,0]=4 160 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [0,0,0,0,0,0|4,0,0]=4 161 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,0,0,0,0,0|3,0,0]=3 162 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,0,0,0,0,0|3,0,0]=3 163 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,0,0,0,0,0|3,0,0]=3 164 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,0,0,0,0,0|3,0,0]=3 165 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [0,0,0,0,0,0|4,0,0]=4 166 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [0,0,0,0,0,0|4,0,0]=4 167 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [0,0,0,0,0,0|4,0,0]=4 168 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [0,0,0,0,0,0|4,0,0]=4 169 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [0,0,0,0,0,0|4,0,0]=4 170 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [0,0,0,0,0,0|4,0,0]=4 171 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [0,0,0,0,0,0|4,0,0]=4 172 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [0,0,0,0,0,0|4,0,0]=4 173 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [0,0,0,0,0,0|4,0,0]=4 174 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [0,0,0,0,0,0|4,0,0]=4 175 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [0,0,0,0,0,0|4,0,0]=4 176 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [0,0,0,0,0,0|4,0,0]=4 177 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [0,0,0,0,0,0|4,0,0]=4 178 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,0,0,0,0,0|3,0,0]=3 179 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,0,0,0,0,0|3,0,0]=3 180 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,0,0,0,0,0|3,0,0]=3 181 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,0,0,0,0,0|3,0,0]=3 182 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [0,0,0,0,0,0|4,0,0]=4 183 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [0,0,0,0,0,0|4,0,0]=4 184 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [0,0,0,0,0,0|4,0,0]=4 185 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [0,0,0,0,0,0|4,0,0]=4 186 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [0,0,0,0,0,0|4,0,0]=4 187 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [0,0,0,0,0,0|4,0,0]=4 188 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [0,0,0,0,0,0|4,0,0]=4 189 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [0,0,0,0,0,0|4,0,0]=4 190 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [0,0,0,0,0,0|4,0,0]=4 191 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [0,0,0,0,0,0|4,0,0]=4 192 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [0,0,0,0,0,0|4,0,0]=4 193 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [0,0,0,0,0,0|4,0,0]=4 194 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [0,0,0,0,0,0|4,0,0]=4 195 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [0,0,0,0,0,0|4,0,0]=4 196 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,0,0,0,0,0|3,0,0]=3 197 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,0,0,0,0,0|3,0,0]=3 198 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [0,0,0,0,0,0|4,0,0]=4 199 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [0,0,0,0,0,0|4,0,0]=4 200 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,0,0,0,0,0|4,0,0]=4 201 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,0,0,0,0,0|4,0,0]=4 202 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,0,0,0,0,0|4,0,0]=4 203 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,0,0,0,0,0|4,0,0]=4 204 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [0,0,0,0,0,0|4,0,0]=4 205 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [0,0,0,0,0,0|4,0,0]=4 206 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [0,0,0,0,0,0|4,0,0]=4 207 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [0,0,0,0,0,0|4,0,0]=4 208 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [0,0,0,0,0,0|2,0,2]=4 209 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,0,0,0,0,0|3,0,0]=3 210 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,0,0,0,0,0|3,0,0]=3 211 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [0,0,0,0,0,0|4,0,0]=4 212 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [0,0,0,0,0,0|4,0,0]=4 213 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [0,0,0,0,0,0|4,0,0]=4 214 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [0,0,0,0,0,0|4,0,0]=4 215 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [0,0,0,0,0,0|4,0,0]=4 216 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [0,0,0,0,0,0|4,0,0]=4 217 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [0,0,0,0,0,0|4,0,0]=4 218 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [0,0,0,0,0,0|4,0,0]=4 219 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [0,0,0,0,0,0|4,0,0]=4 220 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [0,0,0,0,0,0|4,0,0]=4 221 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [0,0,0,0,0,0|4,0,0]=4 222 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [0,0,0,0,0,0|4,0,0]=4 223 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [0,0,0,0,0,0|4,0,0]=4 224 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,0,0,0,0,0|3,0,0]=3 225 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,0,0,0,0,0|3,0,0]=3 226 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,0,0,0,0,0|3,0,0]=3 227 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [0,0,0,0,0,0|4,0,0]=4 228 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [0,0,0,0,0,0|4,0,0]=4 229 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [0,0,0,0,0,0|4,0,0]=4 230 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [0,0,0,0,0,0|4,0,0]=4 231 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [0,0,0,0,0,0|4,0,0]=4 232 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [0,0,0,0,0,0|4,0,0]=4 233 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [0,0,0,0,0,0|4,0,0]=4 234 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [0,0,0,0,0,0|4,0,0]=4 235 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [0,0,0,0,0,0|4,0,0]=4 236 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [0,0,0,0,0,0|4,0,0]=4 237 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [0,0,0,0,0,0|4,0,0]=4 238 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [0,0,0,0,0,0|4,0,0]=4 239 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [0,0,0,0,0,0|4,0,0]=4 240 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,0,0,0,0,0|4,0,0]=4 241 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,0,0,0,0,0|4,0,0]=4 242 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,0,0,0,0,0|4,0,0]=4 243 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [0,0,0,0,0,0|4,0,0]=4 244 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [0,0,0,0,0,0|4,0,0]=4 245 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [0,0,0,0,0,0|4,0,0]=4 246 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [0,0,0,0,0,0|2,0,2]=4 247 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [0,0,0,0,0,0|2,0,2]=4 248 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,0,0,0,0,0|3,0,0]=3 249 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,0,0,0,0,0|3,0,0]=3 250 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [0,0,0,0,0,0|4,0,0]=4 251 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [0,0,0,0,0,0|4,0,0]=4 252 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,0,0,0,0,0|4,0,0]=4 253 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,0,0,0,0,0|4,0,0]=4 254 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,0,0,0,0,0|4,0,0]=4 255 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,0,0,0,0,0|4,0,0]=4 256 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,0,0,0,0,0|4,0,0]=4 257 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,0,0,0,0,0|4,0,0]=4 258 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [0,0,0,0,0,0|4,0,0]=4 259 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [0,0,0,0,0,0|4,0,0]=4 260 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [0,0,0,0,0,0|2,0,2]=4 261 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,0,0,0,0,0|3,0,0]=3 262 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,0,0,0,0,0|3,0,0]=3 263 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [0,0,0,0,0,0|4,0,0]=4 264 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [0,0,0,0,0,0|4,0,0]=4 265 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [0,0,0,0,0,0|4,0,0]=4 266 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [0,0,0,0,0,0|4,0,0]=4 267 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [0,0,0,0,0,0|4,0,0]=4 268 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [0,0,0,0,0,0|4,0,0]=4 269 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [0,0,0,0,0,0|4,0,0]=4 270 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [0,0,0,0,0,0|4,0,0]=4 271 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [0,0,0,0,0,0|4,0,0]=4 272 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [0,0,0,0,0,0|4,0,0]=4 273 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [0,0,0,0,0,0|4,0,0]=4 274 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [0,0,0,0,0,0|4,0,0]=4 275 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [0,0,0,0,0,0|4,0,0]=4 276 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,0,0,0,0,0|4,0,0]=4 277 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,0,0,0,0,0|4,0,0]=4 278 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,0,0,0,0,0|3,0,0]=3 279 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,0,0,0,0,0|3,0,0]=3 280 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,0,0,0,0,0|3,0,0]=3 281 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,0,0,0,0,0|4,0,0]=4 282 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,0,0,0,0,0|4,0,0]=4 283 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,0,0,0,0,0|4,0,0]=4 284 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,0,0,0,0,0|4,0,0]=4 285 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,0,0,0,0,0|4,0,0]=4 286 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,0,0,0,0,0|4,0,0]=4 287 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,0,0,0,0,0|4,0,0]=4 288 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,0,0,0,0,0|4,0,0]=4 289 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,0,0,0,0,0|4,0,0]=4 290 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,0,0,0,0,0|4,0,0]=4 291 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,0,0,0,0,0|4,0,0]=4 292 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,0,0,0,0,0|4,0,0]=4 293 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,0,0,0,0,0|4,0,0]=4 294 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,0,0,0,0,0|4,0,0]=4 295 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,0,0,0,0,0|4,0,0]=4 296 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,0,0,0,0,0|4,0,0]=4 297 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,0,0,0,0,0|4,0,0]=4 298 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,0,0,0,0,0|4,0,0]=4 299 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,0,0,0,0,0|4,0,0]=4 300 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,0,0,0,0,0|4,0,0]=4 301 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,0,0,0,0,0|4,0,0]=4 302 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,0,0,0,0,0|4,0,0]=4 303 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,0,0,0,0,0|4,0,0]=4 304 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,0,0,0,0,0|4,0,0]=4 305 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [0,0,0,0,0,0|2,0,2]=4 306 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [0,0,0,0,0,0|2,0,2]=4 307 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,0,0,0,0,0|3,0,0]=3 308 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,0,0,0,0,0|3,0,0]=3 309 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [0,0,0,0,0,0|4,0,0]=4 310 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [0,0,0,0,0,0|4,0,0]=4 311 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [0,0,0,0,0,0|4,0,0]=4 312 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [0,0,0,0,0,0|4,0,0]=4 313 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [0,0,0,0,0,0|4,0,0]=4 314 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [0,0,0,0,0,0|4,0,0]=4 315 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [0,0,0,0,0,0|4,0,0]=4 316 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [0,0,0,0,0,0|4,0,0]=4 317 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [0,0,0,0,0,0|4,0,0]=4 318 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [0,0,0,0,0,0|4,0,0]=4 319 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [0,0,0,0,0,0|4,0,0]=4 320 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [0,0,0,0,0,0|4,0,0]=4 321 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,0,0,0,0,0|3,0,0]=3 322 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,0,0,0,0,0|3,0,0]=3 323 B9R0.45 C=COCCCCOCF 34a_100000031558_100015361967 [0,0,0,0,0,0|4,0,0]=4 324 B9R0.45 C=COCCCCOCF 7a_100000031558_100015361967 [0,0,0,0,0,0|4,0,0]=4 325 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,0,0,0,0,0|3,0,0]=3 326 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,0,0,0,0,0|3,0,0]=3 327 B9R0.45 C=COCCCNCCF 2230a_100000210767_100011217306 [0,0,0,0,0,0|4,0,0]=4 328 B9R0.45 C=COCCCNCCF 34a_100000210767_100011217306 [0,0,0,0,0,0|4,0,0]=4 329 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [0,0,0,0,0,0|4,0,0]=4 330 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [0,0,0,0,0,0|4,0,0]=4 331 B9R0.45 C=COCCCNCOC 2230a_100000210767_100000766300 [0,0,0,0,0,0|4,0,0]=4 332 B9R0.45 C=COCCCNCSC 2230a_100000210767_100011218213 [0,0,0,0,0,0|4,0,0]=4 333 B9R0.45 C=COCCCNCSC 34a_100000210767_100011218213 [0,0,0,0,0,0|4,0,0]=4 334 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,0,0,0,0,0|3,0,0]=3 335 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,0,0,0,0,0|3,0,0]=3 336 B9R0.45 C=COCCNCCCF 2230a_100015189416_100000039644 [0,0,0,0,0,0|4,0,0]=4 337 B9R0.45 C=COCCNCCCF 34a_100015189416_100000039644 [0,0,0,0,0,0|4,0,0]=4 338 B9R0.45 C=COCCNCCOC 2230a_100000209980_100000039644 [0,0,0,0,0,0|4,0,0]=4 339 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [0,0,0,0,0,0|4,0,0]=4 340 B9R0.45 C=COCCOCCCBr 34a_100011217188_100000039644 [0,0,0,0,0,0|4,0,0]=4 341 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,0,0,0,0,0|3,0,0]=3 342 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,0,0,0,0,0|3,0,0]=3 343 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,0,0,0,0,0|3,0,0]=3 344 B9R0.45 C=COCCOCCCCl 34a_100000230001_100000039644 [0,0,0,0,0,0|4,0,0]=4 345 B9R0.45 C=COCCOCCCF 34a_100000033082_100011934791 [0,0,0,0,0,0|4,0,0]=4 346 B9R0.45 C=COCCOCCCF 34a_100000759539_100000039644 [0,0,0,0,0,0|4,0,0]=4 347 B9R0.45 C=COCCOCCCN 34a_100000182051_100000039644 [0,0,0,0,0,0|4,0,0]=4 348 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,0,0,0,0,0|4,0,0]=4 349 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [0,0,0,0,0,0|4,0,0]=4 350 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [0,0,0,0,0,0|4,0,0]=4 351 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [0,0,0,0,0,0|4,0,0]=4 352 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [0,0,0,0,0,0|4,0,0]=4 353 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [0,0,0,0,0,0|4,0,0]=4 354 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [0,0,0,0,0,0|4,0,0]=4 355 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [0,0,0,0,0,0|4,0,0]=4 356 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [0,0,0,0,0,0|4,0,0]=4 357 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [0,0,0,0,0,0|4,0,0]=4 358 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,0,0,0,0,0|3,0,0]=3 359 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,0,0,0,0,0|3,0,0]=3 360 B9R0.45 C=COCCSCCCF 62a_100000039644_100011934791 [0,0,0,0,0,0|4,0,0]=4 361 B9R0.45 C=COCCSCCCF 62a_100011934791_100000039644 [0,0,0,0,0,0|4,0,0]=4 362 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [0,0,0,0,0,0|4,0,0]=4 363 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [0,0,0,0,0,0|4,0,0]=4 364 B9R0.45 C=COCCSCCOC 62a_100000039644_100000233755 [0,0,0,0,0,0|4,0,0]=4 365 B9R0.45 C=COCCSCCOC 62a_100000233755_100000039644 [0,0,0,0,0,0|4,0,0]=4 366 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [0,0,0,0,0,0|4,0,0]=4 367 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [0,0,0,0,0,0|4,0,0]=4 368 B9R0.45 C=COCCSCOCC 62a_100000039644_100000739092 [0,0,0,0,0,0|4,0,0]=4 369 B9R0.45 C=COCCSCOCC 62a_100000739092_100000039644 [0,0,0,0,0,0|4,0,0]=4 370 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [0,0,0,0,0,0|3,0,1]=4 371 B9R0.45 CC#CCNCCCC=O 2230a_100000685387_200011292268 [0,0,0,0,0,0|2,0,2]=4 372 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [0,0,0,0,0,0|3,0,1]=4 373 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [0,0,0,0,0,0|3,0,1]=4 374 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [0,0,0,0,0,0|3,0,1]=4 375 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [0,0,0,0,0,0|3,0,1]=4 376 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [0,0,0,0,0,0|3,0,1]=4 377 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [0,0,0,0,0,0|3,0,1]=4 378 B9R0.45 CC#CCSCCCC=O 62a_100000748600_200011292268 [0,0,0,0,0,0|2,0,2]=4 379 B9R0.45 CC#CCSCCCC=O 62a_200011292268_100000748600 [0,0,0,0,0,0|2,0,2]=4 380 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [0,0,0,0,0,0|3,0,1]=4 381 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [0,0,0,0,0,0|3,0,1]=4 382 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [0,0,0,0,0,0|2,0,2]=4 383 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [0,0,0,0,0,0|2,0,2]=4 384 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,0,0,0,0,0|2,0,2]=4 385 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,0,0,0,0,0|2,0,2]=4 386 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [0,0,0,0,0,0|3,0,1]=4 387 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [0,0,0,0,0,0|2,0,2]=4 388 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,0,0,0,0,0|3,0,0]=3 389 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [0,0,0,0,0,0|4,0,0]=4 390 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,0,0,0,0,0|4,0,0]=4 391 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [0,0,0,0,0,0|4,0,0]=4 392 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,0,0,0,0,0|3,0,0]=3 393 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [0,0,0,0,0,0|4,0,0]=4 394 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [0,0,0,0,0,0|4,0,0]=4 395 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [0,0,0,0,0,0|4,0,0]=4 396 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [0,0,0,0,0,0|4,0,0]=4 397 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [0,0,0,0,0,0|4,0,0]=4 398 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [0,0,0,0,0,0|4,0,0]=4 399 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [0,0,0,0,0,0|4,0,0]=4 400 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [0,0,0,0,0,0|4,0,0]=4 401 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,0,0,0,0,0|3,0,0]=3 402 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,0,0,0,0,0|3,0,0]=3 403 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [0,0,0,0,0,0|4,0,0]=4 404 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [0,0,0,0,0,0|4,0,0]=4 405 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [0,0,0,0,0,0|4,0,0]=4 406 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [0,0,0,0,0,0|4,0,0]=4 407 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [0,0,0,0,0,0|4,0,0]=4 408 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [0,0,0,0,0,0|4,0,0]=4 409 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [0,0,0,0,0,0|4,0,0]=4 410 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [0,0,0,0,0,0|4,0,0]=4 411 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [0,0,0,0,0,0|4,0,0]=4 412 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [0,0,0,0,0,0|4,0,0]=4 413 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [0,0,0,0,0,0|4,0,0]=4 414 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [0,0,0,0,0,0|4,0,0]=4 415 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [0,0,0,0,0,0|4,0,0]=4 416 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [0,0,0,0,0,0|4,0,0]=4 417 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [0,0,0,0,0,0|2,0,2]=4 418 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [0,0,0,0,0,0|2,0,2]=4 419 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,0,0,0,0,0|3,0,0]=3 420 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,0,0,0,0,0|3,0,0]=3 421 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [0,0,0,0,0,0|4,0,0]=4 422 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [0,0,0,0,0,0|4,0,0]=4 423 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,0,0,0,0,0|4,0,0]=4 424 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,0,0,0,0,0|4,0,0]=4 425 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [0,0,0,0,0,0|4,0,0]=4 426 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [0,0,0,0,0,0|4,0,0]=4 427 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [0,0,0,0,0,0|4,0,0]=4 428 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [0,0,0,0,0,0|4,0,0]=4 429 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [0,0,0,0,0,0|4,0,0]=4 430 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [0,0,0,0,0,0|4,0,0]=4 431 B9R0.45 CCC#CCCOCC=O 34a_100000036655_200009817547 [0,0,0,0,0,0|2,0,2]=4 432 B9R0.45 CCC#CCCOCC=O 7a_100000036655_200015260668 [0,0,0,0,0,0|2,0,2]=4 433 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [0,0,0,0,0,0|2,0,2]=4 434 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [0,0,0,0,0,0|2,0,2]=4 435 B9R0.45 CCCC#CCOCC=O 34a_100000034806_200009817547 [0,0,0,0,0,0|2,0,2]=4 436 B9R0.45 CCCC#CCOCC=O 7a_100000034806_200015260668 [0,0,0,0,0,0|2,0,2]=4 437 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [0,0,0,0,0,0|2,0,2]=4 438 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,0,0,0,0,0|3,0,0]=3 439 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,0,0,0,0,0|3,0,0]=3 440 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,0,0,0,0,0|3,0,0]=3 441 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,0,0,0,0,0|3,0,0]=3 442 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,0,0,0,0,0|3,0,0]=3 443 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,0,0,0,0,0|3,0,0]=3 444 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,0,0,0,0,0|3,0,0]=3 445 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,0,0,0,0,0|3,0,0]=3 446 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,0,0,0,0,0|3,0,0]=3 447 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,0,0,0,0,0|3,0,0]=3 448 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,0,0,0,0,0|3,0,0]=3 449 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,0,0,0,0,0|3,0,0]=3 450 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,0,0,0,0,0|3,0,0]=3 451 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,0,0,0,0,0|3,0,0]=3 452 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,0,0,0,0,0|3,0,0]=3 453 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,0,0,0,0,0|3,0,0]=3 454 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,0,0,0,0,0|1,0,1]=2 455 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,0,0,0,0,0|1,0,1]=2 456 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,0,0,0,0,0|2,0,1]=3 457 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,0,0,0,0,0|2,0,1]=3 458 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,0,0,0,0,0|2,0,1]=3 459 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,0,0,0,0,0|2,0,1]=3 460 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,0,0,0,0,0|2,0,1]=3 461 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,0,0,0,0,0|2,0,1]=3 462 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,0,0,0,0,0|2,0,1]=3 463 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,0,0,0,0,0|2,0,1]=3 464 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,0,0,0,0,0|2,0,1]=3 465 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [0,0,0,0,0,0|3,0,1]=4 466 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,0,0,0,0,0|2,0,0]=2 467 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,0,0,0,0,0|3,0,1]=4 468 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,0,0,0,0,0|3,0,1]=4 469 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,0,0,0,0,0|3,0,1]=4 470 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,0,0,0,0,0|2,0,2]=4 471 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,0,0,0,0,0|2,0,2]=4 472 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,0,0,0,0,0|2,0,2]=4 473 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,0,0,0,0,0|4,0,0]=4 474 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,0,0,0,0,0|4,0,0]=4 475 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,0,0,0,0,0|3,0,1]=4 476 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,0,0,0,0,0|2,0,0]=2 477 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,0,0,0,0,0|2,0,0]=2 478 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,0,0,0,0,0|3,0,1]=4 479 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,0,0,0,0,0|3,0,1]=4 480 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,0,0,0,0,0|3,0,1]=4 481 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,0,0,0,0,0|3,0,1]=4 482 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,0,0,0,0,0|3,0,1]=4 483 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,0,0,0,0,0|3,0,1]=4 484 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,0,0,0,0,0|3,0,1]=4 485 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,0,0,0,0,0|2,0,2]=4 486 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,0,0,0,0,0|2,0,2]=4 487 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,0,0,0,0,0|4,0,0]=4 488 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [0,0,0,0,0,0|3,0,1]=4 489 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [0,0,0,0,0,0|3,0,1]=4 490 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,0,0,0,0,0|2,0,0]=2 491 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,0,0,0,0,0|2,0,0]=2 492 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,0,0,0,0,0|3,0,1]=4 493 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,0,0,0,0,0|3,0,1]=4 494 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,0,0,0,0,0|3,0,1]=4 495 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,0,0,0,0,0|3,0,1]=4 496 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,0,0,0,0,0|2,0,2]=4 497 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,0,0,0,0,0|2,0,2]=4 498 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,0,0,0,0,0|4,0,0]=4 499 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,0,0,0,0,0|4,0,0]=4 500 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,0,0,0,0,0|4,0,0]=4 501 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,0,0,0,0,0|4,0,0]=4 502 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [0,0,0,0,0,0|3,0,1]=4 503 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,0,0,0,0,0|3,0,1]=4 504 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,0,0,0,0,0|3,0,1]=4 505 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,0,0,0,0,0|3,0,1]=4 506 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,0,0,0,0,0|3,0,1]=4 507 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,0,0,0,0,0|3,0,1]=4 508 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,0,0,0,0,0|3,0,1]=4 509 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,0,0,0,0,0|2,0,2]=4 510 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,0,0,0,0,0|4,0,0]=4 511 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,0,0,0,0,0|4,0,0]=4 512 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,0,0,0,0,0|4,0,0]=4 513 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,0,0,0,0,0|4,0,0]=4 514 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,0,0,0,0,0|4,0,0]=4 515 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,0,0,0,0,0|4,0,0]=4 516 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [0,0,0,0,0,0|3,0,1]=4 517 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,0,0,0,0,0|3,0,1]=4 518 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,0,0,0,0,0|3,0,1]=4 519 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,0,0,0,0,0|3,0,1]=4 520 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,0,0,0,0,0|3,0,1]=4 521 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,0,0,0,0,0|3,0,1]=4 522 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,0,0,0,0,0|3,0,1]=4 523 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,0,0,0,0,0|3,0,1]=4 524 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,0,0,0,0,0|3,0,1]=4 525 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,0,0,0,0,0|3,0,1]=4 526 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,0,0,0,0,0|3,0,1]=4 527 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,0,0,0,0,0|2,0,2]=4 528 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,0,0,0,0,0|2,0,2]=4 529 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,0,0,0,0,0|4,0,0]=4 530 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,0,0,0,0,0|4,0,0]=4 531 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,0,0,0,0,0|4,0,0]=4 532 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,0,0,0,0,0|4,0,0]=4 533 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,0,0,0,0,0|4,0,0]=4 534 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,0,0,0,0,0|4,0,0]=4 535 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,0,0,0,0,0|4,0,0]=4 536 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,0,0,0,0,0|4,0,0]=4 537 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,0,0,0,0,0|4,0,0]=4 538 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,0,0,0,0,0|4,0,0]=4 539 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,0,0,0,0,0|4,0,0]=4 540 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,0,0,0,0,0|4,0,0]=4 541 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [0,0,0,0,0,0|3,0,1]=4 542 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [0,0,0,0,0,0|3,0,1]=4 543 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,0,0,0,0,0|3,0,1]=4 544 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,0,0,0,0,0|3,0,1]=4 545 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,0,0,0,0,0|3,0,1]=4 546 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,0,0,0,0,0|3,0,1]=4 547 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,0,0,0,0,0|2,0,2]=4 548 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,0,0,0,0,0|2,0,2]=4 549 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,0,0,0,0,0|4,0,0]=4 550 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,0,0,0,0,0|4,0,0]=4 551 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,0,0,0,0,0|4,0,0]=4 552 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,0,0,0,0,0|4,0,0]=4 553 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,0,0,0,0,0|3,0,1]=4 554 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,0,0,0,0,0|3,0,1]=4 555 B9R0.45 CCCCCSCSC#N 62a_100000210326_100000211825 [0,0,0,0,0,0|3,0,1]=4 556 B9R0.45 CCCCCSCSC#N 62a_100000211825_100000210326 [0,0,0,0,0,0|3,0,1]=4 557 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [0,0,0,0,0,0|3,0,1]=4 558 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [0,0,0,0,0,0|3,0,1]=4 559 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,0,0,0,0,0|2,0,0]=2 560 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,0,0,0,0,0|2,0,0]=2 561 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,0,0,0,0,0|3,0,1]=4 562 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,0,0,0,0,0|3,0,1]=4 563 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,0,0,0,0,0|2,0,2]=4 564 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,0,0,0,0,0|2,0,2]=4 565 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,0,0,0,0,0|2,0,2]=4 566 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,0,0,0,0,0|2,0,2]=4 567 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,0,0,0,0,0|4,0,0]=4 568 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,0,0,0,0,0|4,0,0]=4 569 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,0,0,0,0,0|4,0,0]=4 570 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,0,0,0,0,0|4,0,0]=4 571 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,0,0,0,0,0|3,0,1]=4 572 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,0,0,0,0,0|3,0,1]=4 573 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,0,0,0,0,0|3,0,1]=4 574 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,0,0,0,0,0|3,0,1]=4 575 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,0,0,0,0,0|3,0,1]=4 576 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,0,0,0,0,0|3,0,1]=4 577 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,0,0,0,0,0|3,0,1]=4 578 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [0,0,0,0,0,0|3,0,1]=4 579 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,0,0,0,0,0|2,0,0]=2 580 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,0,0,0,0,0|3,0,1]=4 581 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,0,0,0,0,0|3,0,1]=4 582 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,0,0,0,0,0|3,0,1]=4 583 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,0,0,0,0,0|3,0,1]=4 584 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,0,0,0,0,0|3,0,1]=4 585 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,0,0,0,0,0|3,0,1]=4 586 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,0,0,0,0,0|3,0,1]=4 587 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,0,0,0,0,0|3,0,1]=4 588 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,0,0,0,0,0|3,0,1]=4 589 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,0,0,0,0,0|2,0,2]=4 590 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,0,0,0,0,0|2,0,2]=4 591 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [0,0,0,0,0,0|4,0,0]=4 592 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [0,0,0,0,0,0|4,0,0]=4 593 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [0,0,0,0,0,0|4,0,0]=4 594 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [0,0,0,0,0,0|4,0,0]=4 595 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [0,0,0,0,0,0|4,0,0]=4 596 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,0,0,0,0,0|4,0,0]=4 597 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,0,0,0,0,0|4,0,0]=4 598 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,0,0,0,0,0|4,0,0]=4 599 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,0,0,0,0,0|4,0,0]=4 600 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,0,0,0,0,0|4,0,0]=4 601 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,0,0,0,0,0|4,0,0]=4 602 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,0,0,0,0,0|4,0,0]=4 603 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,0,0,0,0,0|4,0,0]=4 604 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,0,0,0,0,0|4,0,0]=4 605 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,0,0,0,0,0|2,0,1]=3 606 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,0,0,0,0,0|3,0,1]=4 607 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,0,0,0,0,0|3,0,1]=4 608 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,0,0,0,0,0|3,0,1]=4 609 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,0,0,0,0,0|3,0,1]=4 610 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,0,0,0,0,0|3,0,1]=4 611 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,0,0,0,0,0|3,0,1]=4 612 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,0,0,0,0,0|3,0,1]=4 613 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,0,0,0,0,0|3,0,1]=4 614 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,0,0,0,0,0|3,0,1]=4 615 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,0,0,0,0,0|3,0,1]=4 616 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,0,0,0,0,0|3,0,1]=4 617 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,0,0,0,0,0|3,0,1]=4 618 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,0,0,0,0,0|3,0,1]=4 619 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,0,0,0,0,0|3,0,1]=4 620 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,0,0,0,0,0|3,0,1]=4 621 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [0,0,0,0,0,0|3,0,1]=4 622 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [0,0,0,0,0,0|3,0,1]=4 623 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,0,0,0,0,0|3,0,0]=3 624 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,0,0,0,0,0|3,0,0]=3 625 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [0,0,0,0,0,0|3,0,1]=4 626 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [0,0,0,0,0,0|3,0,1]=4 627 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,0,0,0,0,0|2,0,0]=2 628 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,0,0,0,0,0|2,0,0]=2 629 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,0,0,0,0,0|3,0,1]=4 630 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,0,0,0,0,0|3,0,1]=4 631 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,0,0,0,0,0|2,0,2]=4 632 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,0,0,0,0,0|2,0,2]=4 633 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,0,0,0,0,0|4,0,0]=4 634 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,0,0,0,0,0|4,0,0]=4 635 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,0,0,0,0,0|2,0,1]=3 636 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,0,0,0,0,0|3,0,1]=4 637 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,0,0,0,0,0|3,0,1]=4 638 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,0,0,0,0,0|3,0,1]=4 639 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,0,0,0,0,0|3,0,1]=4 640 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,0,0,0,0,0|3,0,1]=4 641 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,0,0,0,0,0|3,0,1]=4 642 B9R0.45 CCCCSCCSC#N 62a_100000034367_100000210210 [0,0,0,0,0,0|3,0,1]=4 643 B9R0.45 CCCCSCCSC#N 62a_100000210211_100000034367 [0,0,0,0,0,0|3,0,1]=4 644 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,0,0,0,0,0|3,0,1]=4 645 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,0,0,0,0,0|3,0,1]=4 646 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,0,0,0,0,0|2,0,2]=4 647 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,0,0,0,0,0|2,0,2]=4 648 B9R0.45 CCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210303 [0,0,0,0,0,0|3,0,1]=4 649 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,0,0,0,0,0|3,0,1]=4 650 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,0,0,0,0,0|3,0,1]=4 651 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,0,0,0,0,0|3,0,1]=4 652 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,0,0,0,0,0|3,0,1]=4 653 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,0,0,0,0,0|3,0,1]=4 654 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,0,0,0,0,0|3,0,1]=4 655 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,0,0,0,0,0|3,0,1]=4 656 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,0,0,0,0,0|3,0,1]=4 657 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,0,0,0,0,0|3,0,1]=4 658 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,0,0,0,0,0|3,0,1]=4 659 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,0,0,0,0,0|2,0,2]=4 660 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,0,0,0,0,0|4,0,0]=4 661 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,0,0,0,0,0|4,0,0]=4 662 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,0,0,0,0,0|4,0,0]=4 663 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,0,0,0,0,0|4,0,0]=4 664 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,0,0,0,0,0|2,0,1]=3 665 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,0,0,0,0,0|2,0,1]=3 666 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,0,0,0,0,0|2,0,1]=3 667 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,0,0,0,0,0|3,0,1]=4 668 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,0,0,0,0,0|3,0,1]=4 669 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,0,0,0,0,0|3,0,1]=4 670 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,0,0,0,0,0|3,0,1]=4 671 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,0,0,0,0,0|3,0,1]=4 672 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [0,0,0,0,0,0|3,0,0]=3 673 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [0,0,0,0,0,0|3,0,0]=3 674 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [0,0,0,0,0,0|3,0,0]=3 675 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [0,0,0,0,0,0|3,0,0]=3 676 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,0,0,0,0,0|3,0,0]=3 677 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,0,0,0,0,0|3,0,0]=3 678 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [0,0,0,0,0,0|3,0,1]=4 679 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [0,0,0,0,0,0|3,0,1]=4 680 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,0,0,0,0,0|2,0,0]=2 681 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,0,0,0,0,0|2,0,0]=2 682 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,0,0,0,0,0|3,0,1]=4 683 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,0,0,0,0,0|3,0,1]=4 684 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,0,0,0,0,0|2,0,2]=4 685 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,0,0,0,0,0|2,0,2]=4 686 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,0,0,0,0,0|4,0,0]=4 687 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,0,0,0,0,0|4,0,0]=4 688 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,0,0,0,0,0|3,0,1]=4 689 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,0,0,0,0,0|3,0,1]=4 690 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,0,0,0,0,0|3,0,0]=3 691 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,0,0,0,0,0|3,0,0]=3 692 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,0,0,0,0,0|3,0,0]=3 693 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [0,0,0,0,0,0|2,0,2]=4 694 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,0,0,0,0,0|2,0,0]=2 695 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,0,0,0,0,0|2,0,1]=3 696 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,0,0,0,0,0|2,0,1]=3 697 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,0,0,0,0,0|2,0,1]=3 698 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,0,0,0,0,0|2,0,1]=3 699 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,0,0,0,0,0|2,0,1]=3 700 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,0,0,0,0,0|2,0,1]=3 701 B9R0.45 CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210202 [0,0,0,0,0,0|3,0,1]=4 702 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [0,0,0,0,0,0|3,0,1]=4 703 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [0,0,0,0,0,0|3,0,1]=4 704 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [0,0,0,0,0,0|3,0,1]=4 705 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,0,0,0,0,0|3,0,1]=4 706 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,0,0,0,0,0|3,0,1]=4 707 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,0,0,0,0,0|3,0,1]=4 708 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,0,0,0,0,0|3,0,1]=4 709 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,0,0,0,0,0|3,0,1]=4 710 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,0,0,0,0,0|3,0,1]=4 711 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,0,0,0,0,0|3,0,1]=4 712 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,0,0,0,0,0|3,0,1]=4 713 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,0,0,0,0,0|2,0,2]=4 714 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,0,0,0,0,0|3,0,1]=4 715 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [0,0,0,0,0,0|3,0,0]=3 716 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [0,0,0,0,0,0|3,0,0]=3 717 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [0,0,0,0,0,0|3,0,0]=3 718 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [0,0,0,0,0,0|3,0,0]=3 719 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [0,0,0,0,0,0|3,0,0]=3 720 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [0,0,0,0,0,0|3,0,0]=3 721 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,0,0,0,0,0|3,0,0]=3 722 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,0,0,0,0,0|3,0,0]=3 723 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [0,0,0,0,0,0|3,0,1]=4 724 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [0,0,0,0,0,0|3,0,1]=4 725 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,0,0,0,0,0|2,0,0]=2 726 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,0,0,0,0,0|2,0,0]=2 727 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,0,0,0,0,0|3,0,1]=4 728 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,0,0,0,0,0|3,0,1]=4 729 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,0,0,0,0,0|2,0,2]=4 730 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,0,0,0,0,0|2,0,2]=4 731 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [0,0,0,0,0,0|3,0,0]=3 732 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [0,0,0,0,0,0|3,0,0]=3 733 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [0,0,0,0,0,0|3,0,1]=4 734 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [0,0,0,0,0,0|3,0,1]=4 735 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,0,0,0,0,0|2,0,2]=4 736 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,0,0,0,0,0|2,0,2]=4 737 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,0,0,0,0,0|2,0,2]=4 738 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,0,0,0,0,0|2,0,2]=4 739 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,0,0,0,0,0|2,0,2]=4 740 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,0,0,0,0,0|4,0,0]=4 741 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,0,0,0,0,0|4,0,0]=4 742 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,0,0,0,0,0|4,0,0]=4 743 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [0,0,0,0,0,0|3,0,1]=4 744 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,0,0,0,0,0|3,0,1]=4 745 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,0,0,0,0,0|3,0,1]=4 746 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,0,0,0,0,0|3,0,1]=4 747 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,0,0,0,0,0|2,0,2]=4 748 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,0,0,0,0,0|4,0,0]=4 749 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,0,0,0,0,0|4,0,0]=4 750 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,0,0,0,0,0|4,0,0]=4 751 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,0,0,0,0,0|4,0,0]=4 752 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,0,0,0,0,0|4,0,0]=4 753 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,0,0,0,0,0|4,0,0]=4 754 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,0,0,0,0,0|4,0,0]=4 755 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,0,0,0,0,0|4,0,0]=4 756 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,0,0,0,0,0|4,0,0]=4 757 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [0,0,0,0,0,0|2,0,1]=3 758 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [0,0,0,0,0,0|3,0,0]=3 759 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,0,0,0,0,0|3,0,0]=3 760 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,0,0,0,0,0|3,0,0]=3 761 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,0,0,0,0,0|3,0,0]=3 762 B9R0.45 COCCOCCNCF 34a_100000745349_100015361967 [0,0,0,0,0,0|3,0,1]=4 763 B9R0.45 COCCOCSCC=O 62a_100000231047_200015260668 [0,0,0,0,0,0|4,0,0]=4 764 B9R0.45 COCCOCSCC=O 62a_200015260668_100000231047 [0,0,0,0,0,0|4,0,0]=4 765 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,0,0,0,0,0|3,0,0]=3 766 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,0,0,0,0,0|3,0,0]=3 767 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,0,0,0,0,0|3,0,0]=3 768 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,0,0,0,0,0|3,0,0]=3 769 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [0,0,0,0,0,0|3,0,1]=4 770 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [0,0,0,0,0,0|3,0,1]=4 771 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,0,0,0,0,0|2,0,2]=4 772 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,0,0,0,0,0|2,0,2]=4 773 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [0,0,0,0,0,0|3,0,0]=3 774 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [0,0,0,0,0,0|3,0,0]=3 775 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,0,0,0,0,0|3,0,0]=3 776 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,0,0,0,0,0|3,0,0]=3 777 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,0,0,0,0,0|3,0,0]=3 778 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,0,0,0,0,0|3,0,0]=3 779 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,0,0,0,0,0|3,0,0]=3 780 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,0,0,0,0,0|3,0,0]=3 781 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,0,0,0,0,0|3,0,1]=4 782 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,0,0,0,0,0|3,0,1]=4 783 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [0,0,0,0,0,0|3,0,1]=4 784 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [0,0,0,0,0,0|3,0,1]=4 785 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,0,0,0,0,0|3,0,1]=4 786 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,0,0,0,0,0|3,0,1]=4 787 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,0,0,0,0,0|3,0,1]=4 788 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,0,0,0,0,0|3,0,1]=4 789 B9R0.45 N#CCCCCSCC=O 62a_100011219923_200015260668 [0,0,0,0,0,0|3,0,1]=4 790 B9R0.45 N#CCCCCSCC=O 62a_200015260668_100000211819 [0,0,0,0,0,0|3,0,1]=4 791 B9R0.45 N#CCCSCCCC=O 62a_100011215226_200011292268 [0,0,0,0,0,0|3,0,1]=4 792 B9R0.45 N#CCCSCCCC=O 62a_200011292268_100011215226 [0,0,0,0,0,0|3,0,1]=4 793 B9R0.45 N#CCSCCCCC=O 62a_100000139335_100011215382 [0,0,0,0,0,0|3,0,1]=4 794 B9R0.45 N#CCSCCCCC=O 62a_100011215382_100000139335 [0,0,0,0,0,0|3,0,1]=4 795 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,0,0,0,0,0|3,0,1]=4 796 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [0,0,0,0,0,0|3,0,0]=3 797 B9R0.45 NCCOCCOCC=O 34a_100000211614_200009817547 [0,0,0,0,0,0|4,0,0]=4 798 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [0,0,0,0,0,0|3,0,0]=3 799 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [0,0,0,0,0,0|3,0,0]=3 800 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,0,0,0,0,0|3,0,0]=3 801 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [0,0,0,0,0,0|3,0,1]=4 802 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [0,0,0,0,0,0|3,0,1]=4 803 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [0,0,0,0,0,0|3,0,0]=3 804 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [0,0,0,0,0,0|3,0,0]=3 805 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,0,0,0,0,0|3,0,0]=3 806 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,0,0,0,0,0|3,0,0]=3 807 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [0,0,0,0,0,0|3,0,0]=3 808 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,0,0,0,0,0|3,0,0]=3 809 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,0,0,0,0,0|3,0,0]=3 810 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,0,0,0,0,0|3,0,0]=3 811 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,0,0,0,0,0|3,0,0]=3 812 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,0,0,0,0,0|3,0,0]=3 813 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,0,0,0,0,0|3,0,0]=3 814 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [0,0,0,0,0,0|4,0,0]=4 815 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [0,0,0,0,0,0|4,0,0]=4 816 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [0,0,0,0,0,0|4,0,0]=4 817 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [0,0,0,0,0,0|3,0,0]=3 818 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [0,0,0,0,0,0|3,0,0]=3 819 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [0,0,0,0,0,0|3,0,0]=3 820 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [0,0,0,0,0,0|3,0,0]=3 821 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [0,0,0,0,0,0|3,0,0]=3 822 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [0,0,0,0,0,0|3,0,0]=3 823 B9R0.45 O=CCOCCOCCBr 34a_100000692535_200009817547 [0,0,0,0,0,0|4,0,0]=4 824 B9R0.45 O=CCOCCOCCBr 7a_100000692535_200015260668 [0,0,0,0,0,0|4,0,0]=4 825 B9R0.45 O=CCOCCOCCCl 34a_100011215305_200009817547 [0,0,0,0,0,0|4,0,0]=4 826 B9R0.45 O=CCOCCOCCCl 7a_100011215305_200015260668 [0,0,0,0,0,0|4,0,0]=4 827 B9R0.45 O=CCOCCOCCF 34a_200015357709_200009817547 [0,0,0,0,0,0|4,0,0]=4 828 B9R0.45 O=CCOCCOCCF 7a_200015357709_200015260668 [0,0,0,0,0,0|4,0,0]=4 829 B9R0.45 O=CCOCCOCCI 34a_100012149058_200009817547 [0,0,0,0,0,0|4,0,0]=4 830 B9R0.45 O=CCOCCOCCI 7a_100012149058_200015260668 [0,0,0,0,0,0|4,0,0]=4 831 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [0,0,0,0,0,0|3,0,0]=3 832 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [0,0,0,0,0,0|3,0,0]=3 833 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,0,0,0,0,0|3,0,0]=3 834 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,0,0,0,0,0|3,0,0]=3 835 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [0,0,0,0,0,0|4,0,0]=4 836 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [0,0,0,0,0,0|4,0,0]=4 837 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,0,0,0,0,0|2,0,1]=3 838 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,0,0,0,0,0|3,0,1]=4 839 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,0,0,0,0,0|3,0,1]=4 840 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,0,0,0,0,0|2,0,2]=4 841 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,0,0,0,0,0|2,0,2]=4 842 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,0,0,0,0,0|3,0,1]=4 843 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,0,0,0,0,0|3,0,1]=4 844 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,0,0,0,0,0|3,0,1]=4 845 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [0,0,0,0,0,0|3,0,1]=4 846 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [0,0,0,0,0,0|3,0,1]=4 847 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,0,0,0,0,0|2,0,2]=4 848 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,0,0,0,0,0|2,0,2]=4 849 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,0,0,0,0,0|0,0,3]=4 850 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,0,0,0,0,0|0,0,3]=4 851 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,0,0,0,0,0|0,0,3]=4 852 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,0,0,0,0,0|2,0,1]=4 853 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,0,0,0,0,0|2,0,1]=4 854 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,0,0,0,0,0|2,0,1]=4 855 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,0,0,0,0,0|2,0,1]=4 856 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,0,0,0,0,0|2,0,1]=4 857 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,0,0,0,0,0|2,0,1]=4 858 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,0,0,0,0,0|2,0,1]=4 859 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,0,0,0,0,0|2,0,1]=4 860 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,0,0,0,0,0|2,0,1]=4 861 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,0,0,0,0,0|2,0,1]=4 862 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,0,0,0,0,0|2,0,1]=4 863 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,0,0,0,0,0|2,0,1]=4 864 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 865 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|2,0,1]=4 866 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 867 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,0,0,0,0,0|2,0,1]=4 868 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,0,0,0,0,0|2,0,1]=4 869 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [1,0,0,0,0,0|1,0,2]=4 870 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,0,0,0,0,0|2,0,1]=4 871 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [1,0,0,0,0,0|1,0,2]=4 872 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [1,0,0,0,0,0|1,0,2]=4 873 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,0,0,0,0,0|2,0,1]=4 874 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,0,0,0,0,0|2,0,1]=4 875 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,0,0,0,0,0|2,0,1]=4 876 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [1,0,0,0,0,0|1,0,2]=4 877 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [1,0,0,0,0,0|1,0,2]=4 878 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,0,0,0,0,0|2,0,1]=4 879 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,0,0,0,0,0|2,0,1]=4 880 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,0,0,0,0,0|2,0,1]=4 881 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,0,0,0,0,0|2,0,1]=4 882 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,0,0,0,0,0|2,0,1]=4 883 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,0,0,0,0,0|2,0,1]=4 884 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,0,0,0,0,0|2,0,1]=4 885 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,0,0,0,0,0|2,0,1]=4 886 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,0,0,0,0,0|2,0,1]=4 887 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,0,0,0,0,0|2,0,1]=4 888 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,0,0,0,0,0|2,0,1]=4 889 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,0,0,0,0,0|2,0,1]=4 890 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,0,0,0,0,0|2,0,1]=4 891 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,0,0,0,0,0|2,0,1]=4 892 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,0,0,0,0,0|2,0,1]=4 893 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [1,0,0,0,0,0|1,0,2]=4 894 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,0,0,0,0,0|2,0,1]=4 895 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [1,0,0,0,0,0|1,0,2]=4 896 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|2,0,1]=4 897 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|2,0,1]=4 898 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 899 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|2,0,1]=4 900 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 901 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|2,0,1]=4 902 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|2,0,1]=4 903 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,0,0,0,0|2,0,0]=3 904 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,0,0,0,0|2,0,0]=3 905 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,0,0,0,0|2,0,0]=3 906 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,0,0,0,0|2,0,0]=3 907 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,0,0,0,0|2,0,0]=3 908 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,0,0,0,0|2,0,0]=3 909 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,0,0,0,0|2,0,0]=3 910 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,0,0,0,0|2,0,0]=3 911 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,0,0,0,0|2,0,0]=3 912 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,0,0,0,0|2,0,0]=3 913 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,0,0,0,0|2,0,0]=3 914 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,0,0,0,0|2,0,0]=3 915 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|2,0,0]=3 916 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|2,0,0]=3 917 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|2,0,0]=3 918 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,0,0,0,0,0|3,0,0]=4 919 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|2,0,0]=3 920 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|2,0,0]=3 921 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|2,0,0]=3 922 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,0,0,0,0,0|3,0,0]=4 923 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,0,0,0,0,0|3,0,0]=4 924 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|2,0,0]=3 925 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|2,0,0]=3 926 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,0,0,0,0,0|3,0,0]=4 927 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,0,0,0,0,0|3,0,0]=4 928 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [1,0,0,0,0,0|1,0,2]=4 929 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [1,0,0,0,0,0|1,0,2]=4 930 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,0,0,0,0|2,0,0]=3 931 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,0,0,0,0|2,0,0]=3 932 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,0,0,0,0,0|3,0,0]=4 933 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,0,0,0,0,0|3,0,0]=4 934 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,0,0,0,0,0|3,0,0]=4 935 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|3,0,0]=4 936 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|3,0,0]=4 937 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|3,0,0]=4 938 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|3,0,0]=4 939 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,0,0,0,0,0|3,0,0]=4 940 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,0,0,0,0,0|3,0,0]=4 941 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,0,0,0,0,0|3,0,0]=4 942 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,0,0,0,0,0|1,0,2]=4 943 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,0,0,0,0,0|1,0,2]=4 944 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,0,0,0,0,0|3,0,0]=4 945 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|2,0,0]=3 946 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|2,0,0]=3 947 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|2,0,0]=3 948 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,0,0,0,0,0|3,0,0]=4 949 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,0,0,0,0,0|3,0,0]=4 950 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,0,0,0,0,0|3,0,0]=4 951 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|3,0,0]=4 952 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|3,0,0]=4 953 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,0,0,0,0,0|3,0,0]=4 954 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [1,0,0,0,0,0|1,0,2]=4 955 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [1,0,0,0,0,0|1,0,2]=4 956 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,0,0,0,0|2,0,0]=3 957 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,0,0,0,0|2,0,0]=3 958 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,0,0,0,0,0|3,0,0]=4 959 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,0,0,0,0,0|3,0,0]=4 960 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|3,0,0]=4 961 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|3,0,0]=4 962 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,0,0,0,0,0|3,0,0]=4 963 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,0,0,0,0,0|3,0,0]=4 964 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,0,0,0,0,0|3,0,0]=4 965 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,0,0,0,0,0|3,0,0]=4 966 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,0,0,0,0|2,0,0]=3 967 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,0,0,0,0|2,0,0]=3 968 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,0,0,0,0|2,0,0]=3 969 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [1,0,0,0,0,0|3,0,0]=4 970 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [1,0,0,0,0,0|3,0,0]=4 971 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [1,0,0,0,0,0|3,0,0]=4 972 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,0,0,0,0,0|3,0,0]=4 973 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [1,0,0,0,0,0|3,0,0]=4 974 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [1,0,0,0,0,0|3,0,0]=4 975 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,0,0,0,0,0|3,0,0]=4 976 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,0,0,0,0,0|3,0,0]=4 977 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,0,0,0,0,0|3,0,0]=4 978 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,0,0,0,0|2,0,0]=3 979 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,0,0,0,0|2,0,0]=3 980 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,0,0,0,0|2,0,0]=3 981 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,0,0,0,0,0|3,0,0]=4 982 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,0,0,0,0,0|3,0,0]=4 983 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,0,0,0,0,0|3,0,0]=4 984 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,0,0,0,0,0|3,0,0]=4 985 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,0,0,0,0,0|3,0,0]=4 986 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,0,0,0,0,0|3,0,0]=4 987 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,0,0,0,0,0|3,0,0]=4 988 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,0,0,0,0,0|3,0,0]=4 989 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,0,0,0,0,0|3,0,0]=4 990 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,0,0,0,0,0|3,0,0]=4 991 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,0,0,0,0|2,0,0]=3 992 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,0,0,0,0|2,0,0]=3 993 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [1,0,0,0,0,0|3,0,0]=4 994 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [1,0,0,0,0,0|3,0,0]=4 995 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,0,0,0,0,0|3,0,0]=4 996 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,0,0,0,0,0|3,0,0]=4 997 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [1,0,0,0,0,0|3,0,0]=4 998 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [1,0,0,0,0,0|3,0,0]=4 999 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,0,0,0,0,0|3,0,0]=4 1000 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,0,0,0,0,0|3,0,0]=4 1001 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,0,0,0,0,0|3,0,0]=4 1002 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,0,0,0,0,0|3,0,0]=4 1003 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [1,0,0,0,0,0|1,0,2]=4 1004 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|2,0,0]=3 1005 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|2,0,0]=3 1006 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [1,0,0,0,0,0|3,0,0]=4 1007 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,0,0,0,0,0|3,0,0]=4 1008 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,0,0,0,0,0|3,0,0]=4 1009 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,0,0,0,0,0|3,0,0]=4 1010 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [1,0,0,0,0,0|3,0,0]=4 1011 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [1,0,0,0,0,0|3,0,0]=4 1012 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [1,0,0,0,0,0|3,0,0]=4 1013 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,0,0,0,0,0|3,0,0]=4 1014 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,0,0,0,0,0|3,0,0]=4 1015 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,0,0,0,0,0|3,0,0]=4 1016 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,0,0,0,0,0|3,0,0]=4 1017 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,0,0,0,0,0|3,0,0]=4 1018 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,0,0,0,0,0|3,0,0]=4 1019 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|2,0,0]=3 1020 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|2,0,0]=3 1021 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|2,0,0]=3 1022 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,0,0,0,0,0|3,0,0]=4 1023 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,0,0,0,0,0|3,0,0]=4 1024 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,0,0,0,0,0|3,0,0]=4 1025 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,0,0,0,0,0|3,0,0]=4 1026 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,0,0,0,0,0|3,0,0]=4 1027 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,0,0,0,0,0|3,0,0]=4 1028 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,0,0,0,0,0|3,0,0]=4 1029 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,0,0,0,0|3,0,0]=4 1030 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,0,0,0,0,0|3,0,0]=4 1031 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,0,0,0,0,0|3,0,0]=4 1032 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,0,0,0,0,0|3,0,0]=4 1033 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,0,0,0,0,0|3,0,0]=4 1034 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,0,0,0,0,0|3,0,0]=4 1035 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,0,0,0,0,0|3,0,0]=4 1036 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,0,0,0,0,0|3,0,0]=4 1037 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,0,0,0,0,0|3,0,0]=4 1038 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,0,0,0,0,0|3,0,0]=4 1039 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,0,0,0,0,0|3,0,0]=4 1040 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,0,0,0,0,0|3,0,0]=4 1041 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,0,0,0,0,0|3,0,0]=4 1042 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,0,0,0,0,0|3,0,0]=4 1043 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [1,0,0,0,0,0|1,0,2]=4 1044 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [1,0,0,0,0,0|1,0,2]=4 1045 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|2,0,0]=3 1046 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|2,0,0]=3 1047 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [1,0,0,0,0,0|3,0,0]=4 1048 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [1,0,0,0,0,0|3,0,0]=4 1049 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,0,0,0,0,0|3,0,0]=4 1050 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,0,0,0,0,0|3,0,0]=4 1051 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [1,0,0,0,0,0|3,0,0]=4 1052 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [1,0,0,0,0,0|3,0,0]=4 1053 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,0,0,0,0,0|3,0,0]=4 1054 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,0,0,0,0,0|3,0,0]=4 1055 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,0,0,0,0,0|3,0,0]=4 1056 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,0,0,0,0,0|3,0,0]=4 1057 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,0,0,0,0,0|3,0,0]=4 1058 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,0,0,0,0,0|3,0,0]=4 1059 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,0,0,0,0,0|3,0,0]=4 1060 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,0,0,0,0,0|3,0,0]=4 1061 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,0,0,0,0,0|3,0,0]=4 1062 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,0,0,0,0,0|3,0,0]=4 1063 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,0,0,0,0|3,0,0]=4 1064 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,0,0,0,0|3,0,0]=4 1065 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,0,0,0,0,0|3,0,0]=4 1066 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,0,0,0,0,0|3,0,0]=4 1067 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [1,0,0,0,0,0|1,0,2]=4 1068 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,0,0,0,0,0|1,0,2]=4 1069 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,0,0,0,0,0|1,0,2]=4 1070 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,0,0,0,0,0|1,0,2]=4 1071 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|2,0,1]=4 1072 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|2,0,1]=4 1073 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|2,0,1]=4 1074 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 1075 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 1076 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|2,0,1]=4 1077 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|2,0,1]=4 1078 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|2,0,1]=4 1079 B8R0.4 CCC#CCOCC=O 34a_100000032950_200009817547 [1,0,0,0,0,0|1,0,2]=4 1080 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [1,0,0,0,0,0|1,0,2]=4 1081 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [1,0,0,0,0,0|1,0,2]=4 1082 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|0,0,1]=2 1083 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|0,0,1]=2 1084 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|0,0,1]=2 1085 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|0,0,1]=2 1086 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|0,0,1]=2 1087 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|1,0,1]=3 1088 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|1,0,1]=3 1089 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|1,0,1]=3 1090 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|1,0,1]=3 1091 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|1,0,1]=3 1092 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|1,0,1]=3 1093 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|1,0,1]=3 1094 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|1,0,1]=3 1095 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|1,0,1]=3 1096 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|1,0,1]=3 1097 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|1,0,1]=3 1098 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|2,0,1]=4 1099 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|2,0,1]=4 1100 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|2,0,1]=4 1101 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|2,0,1]=4 1102 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|2,0,1]=4 1103 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|2,0,1]=4 1104 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|2,0,1]=4 1105 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|2,0,1]=4 1106 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|2,0,1]=4 1107 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,0,0,0,0,0|2,0,1]=4 1108 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|1,0,0]=2 1109 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|2,0,1]=4 1110 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|2,0,1]=4 1111 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|2,0,1]=4 1112 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|1,0,2]=4 1113 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|1,0,2]=4 1114 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|1,0,2]=4 1115 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|2,0,1]=4 1116 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|2,0,1]=4 1117 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,0,0,0,0,0|2,0,1]=4 1118 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,0]=2 1119 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,0]=2 1120 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|2,0,1]=4 1121 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|2,0,1]=4 1122 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|2,0,1]=4 1123 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|2,0,1]=4 1124 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|2,0,1]=4 1125 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|2,0,1]=4 1126 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|2,0,1]=4 1127 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,2]=4 1128 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,2]=4 1129 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|2,0,1]=4 1130 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,0,0,0,0,0|2,0,1]=4 1131 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,0,0,0,0,0|2,0,1]=4 1132 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,0,0]=2 1133 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,0,0]=2 1134 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|2,0,1]=4 1135 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|2,0,1]=4 1136 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|2,0,1]=4 1137 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|2,0,1]=4 1138 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,0,2]=4 1139 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,0,2]=4 1140 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|2,0,1]=4 1141 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|2,0,1]=4 1142 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|2,0,1]=4 1143 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|2,0,1]=4 1144 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,0,0,0,0,0|2,0,1]=4 1145 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,0,0,0,0,0|2,0,1]=4 1146 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|2,0,1]=4 1147 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|2,0,1]=4 1148 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,0,0,0,0|2,0,1]=4 1149 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,0,0,0,0|2,0,1]=4 1150 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,0,0,0,0|2,0,1]=4 1151 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,0,0,0,0|2,0,1]=4 1152 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|1,0,2]=4 1153 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|1,0,2]=4 1154 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,0,0,0,0,0|2,0,1]=4 1155 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,0,0,0,0,0|2,0,1]=4 1156 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,0,0,0,0,0|2,0,1]=4 1157 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,0,0,0,0,0|2,0,1]=4 1158 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,0,0,0,0,0|2,0,1]=4 1159 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,0,0,0,0,0|2,0,1]=4 1160 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,0,0,0,0,0|2,0,1]=4 1161 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,0,0,0,0|2,0,1]=4 1162 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|2,0,1]=4 1163 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|2,0,1]=4 1164 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,0,0,0,0|2,0,1]=4 1165 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,0,0,0,0|2,0,1]=4 1166 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,0,0,0,0|2,0,1]=4 1167 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,0,0,0,0|2,0,1]=4 1168 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,0,0,0,0|2,0,1]=4 1169 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|1,0,2]=4 1170 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|1,0,2]=4 1171 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,0,0,0,0,0|1,0,1]=3 1172 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,0,0,0,0,0|1,0,1]=3 1173 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,0,0,0,0,0|1,0,1]=3 1174 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,0,0,0,0,0|2,0,1]=4 1175 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,0,0,0,0,0|2,0,1]=4 1176 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,0,0,0,0,0|2,0,1]=4 1177 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,0,0,0,0,0|2,0,1]=4 1178 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,0,0,0,0,0|2,0,1]=4 1179 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,0,0,0,0,0|2,0,1]=4 1180 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,0,0,0,0,0|3,0,0]=4 1181 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,0,0,0,0,0|2,0,1]=4 1182 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,0,0,0,0,0|2,0,1]=4 1183 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,0,0,0,0,0|2,0,1]=4 1184 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,0,0,0,0,0|2,0,1]=4 1185 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,0,0,0,0,0|2,0,1]=4 1186 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,0,0,0,0,0|2,0,1]=4 1187 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,0,0,0,0,0|2,0,1]=4 1188 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,0,0,0,0,0|2,0,1]=4 1189 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,0,0,0,0,0|2,0,1]=4 1190 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,0,0,0,0,0|2,0,1]=4 1191 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,0,0,0,0|2,0,1]=4 1192 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,0,0,0,0,0|2,0,1]=4 1193 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,0,0,0,0,0|2,0,1]=4 1194 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|2,0,1]=4 1195 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,0,0,0,0,0|2,0,1]=4 1196 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,0,0,0,0,0|2,0,1]=4 1197 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|1,0,2]=4 1198 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|1,0,2]=4 1199 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,0,0,0,0,0|1,0,1]=3 1200 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,0,0,0,0,0|1,0,1]=3 1201 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,0,0,0,0,0|2,0,1]=4 1202 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,0,0,0,0,0|2,0,1]=4 1203 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,0,0,0,0,0|2,0,1]=4 1204 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,0,0,0,0,0|2,0,1]=4 1205 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,0,0,0,0,0|2,0,1]=4 1206 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,0,0,0,0,0|2,0,1]=4 1207 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,0,0,0,0,0|2,0,1]=4 1208 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,0,0,0,0,0|2,0,1]=4 1209 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|1,0,2]=4 1210 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|1,0,2]=4 1211 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|2,0,1]=4 1212 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|2,0,1]=4 1213 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,1]=4 1214 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 1215 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 1216 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,1]=4 1217 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 1218 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 1219 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,1]=4 1220 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,1]=4 1221 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,2]=4 1222 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|1,0,1]=3 1223 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|1,0,1]=3 1224 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|1,0,1]=3 1225 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|1,0,1]=3 1226 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|1,0,1]=3 1227 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|2,0,1]=4 1228 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|2,0,1]=4 1229 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|2,0,1]=4 1230 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|2,0,1]=4 1231 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|2,0,1]=4 1232 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|2,0,1]=4 1233 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|2,0,1]=4 1234 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,0,0,0,0,0|2,0,1]=4 1235 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,0,0,0,0,0|2,0,1]=4 1236 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,0,0,0,0,0|2,0,1]=4 1237 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|1,0,0]=2 1238 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|1,0,0]=2 1239 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,0,1]=4 1240 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,0,1]=4 1241 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,0,2]=4 1242 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,0,2]=4 1243 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|2,0,1]=4 1244 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|2,0,1]=4 1245 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|2,0,1]=4 1246 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,0,0,0,0,0|2,0,1]=4 1247 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|1,0,0]=2 1248 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,1]=4 1249 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|1,0,2]=4 1250 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|1,0,2]=4 1251 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,2]=4 1252 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|2,0,1]=4 1253 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|2,0,1]=4 1254 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|2,0,1]=4 1255 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|2,0,1]=4 1256 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,1]=4 1257 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,1]=4 1258 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,1]=4 1259 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,1]=4 1260 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,1]=4 1261 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,1]=4 1262 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,1]=4 1263 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,1]=4 1264 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,2]=4 1265 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|2,0,1]=4 1266 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|2,0,1]=4 1267 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1268 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1269 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,0,0,0,0,0|2,0,1]=4 1270 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,0,0,0,0,0|2,0,0]=3 1271 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,0,0,0,0,0|2,0,0]=3 1272 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,0,0,0,0,0|2,0,0]=3 1273 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,0,0,0,0,0|2,0,0]=3 1274 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,0,0,0,0,0|2,0,0]=3 1275 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,0,0,0,0,0|2,0,0]=3 1276 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,0,0,0,0,0|2,0,1]=4 1277 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,0,0,0,0,0|2,0,1]=4 1278 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,0,0]=2 1279 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,0,0]=2 1280 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,1]=4 1281 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,1]=4 1282 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,0,2]=4 1283 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,0,2]=4 1284 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|2,0,1]=4 1285 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|2,0,1]=4 1286 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,0,0,0,0,0|2,0,0]=3 1287 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,0,0,0,0,0|2,0,0]=3 1288 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,0,0,0,0,0|2,0,0]=3 1289 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,0,0,0,0,0|2,0,0]=3 1290 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,0,0,0,0,0|2,0,0]=3 1291 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,0,0,0,0,0|1,0,2]=4 1292 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,0,0,0,0,0|1,0,2]=4 1293 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,0,0,0,0|1,0,0]=2 1294 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,0,0,0,0|1,0,0]=2 1295 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|1,0,1]=3 1296 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|1,0,1]=3 1297 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|1,0,1]=3 1298 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|1,0,1]=3 1299 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|1,0,1]=3 1300 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|1,0,1]=3 1301 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|1,0,1]=3 1302 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|1,0,1]=3 1303 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,0,0,0,0,0|1,0,1]=3 1304 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,0,0,0,0,0|1,0,1]=3 1305 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,0,0,0,0,0|1,0,1]=3 1306 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,0,0,0,0,0|1,0,1]=3 1307 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,0,0,0,0,0|2,0,0]=3 1308 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,0,0,0,0,0|2,0,1]=4 1309 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,0,0,0,0,0|2,0,1]=4 1310 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,0,0,0,0,0|2,0,1]=4 1311 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [1,0,0,0,0,0|2,0,1]=4 1312 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [1,0,0,0,0,0|2,0,1]=4 1313 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [1,0,0,0,0,0|2,0,1]=4 1314 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [1,0,0,0,0,0|2,0,1]=4 1315 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [1,0,0,0,0,0|2,0,1]=4 1316 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [1,0,0,0,0,0|2,0,1]=4 1317 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [1,0,0,0,0,0|2,0,1]=4 1318 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1319 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1320 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1321 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1322 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1323 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,1]=4 1324 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1325 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,1]=4 1326 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|1,0,2]=4 1327 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,0,0,0,0,0|1,0,1]=3 1328 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,0,0,0,0,0|1,0,1]=3 1329 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,0,0,0,0,0|2,0,0]=3 1330 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,0,0,0,0,0|2,0,0]=3 1331 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,0,0,0,0,0|2,0,0]=3 1332 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,0,0,0,0,0|2,0,0]=3 1333 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [1,0,0,0,0,0|2,0,1]=4 1334 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [1,0,0,0,0,0|2,0,1]=4 1335 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,0,0,0,0,0|2,0,0]=3 1336 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,0,0,0,0,0|2,0,0]=3 1337 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,0,0,0,0,0|2,0,1]=4 1338 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,0,0,0,0,0|2,0,1]=4 1339 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,0,0,0,0|1,0,0]=2 1340 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,0,0,0,0|1,0,0]=2 1341 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,1]=4 1342 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,1]=4 1343 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|1,0,2]=4 1344 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|1,0,2]=4 1345 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,0,0,0,0,0|2,0,0]=3 1346 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,0,0,0,0,0|2,0,0]=3 1347 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,0,0,0,0,0|2,0,0]=3 1348 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,0,0,0,0,0|2,0,0]=3 1349 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,0,0,0,0,0|2,0,0]=3 1350 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [1,0,0,0,0,0|2,0,1]=4 1351 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [1,0,0,0,0,0|2,0,1]=4 1352 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [1,0,0,0,0,0|2,0,1]=4 1353 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [1,0,0,0,0,0|2,0,1]=4 1354 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,0]=3 1355 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,0,0,0,0,0|2,0,0]=3 1356 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,0,0,0,0,0|2,0,0]=3 1357 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|2,0,0]=3 1358 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [1,0,0,0,0,0|2,0,1]=4 1359 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [1,0,0,0,0,0|2,0,1]=4 1360 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,0,0,0,0,0|2,0,0]=3 1361 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,0,0,0,0,0|2,0,0]=3 1362 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|2,0,0]=3 1363 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|2,0,0]=3 1364 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|2,0,0]=3 1365 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,0]=3 1366 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,0,0,0,0,0|2,0,0]=3 1367 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,0,0,0,0,0|2,0,0]=3 1368 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,0,0,0,0,0|2,0,0]=3 1369 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,0,0,0,0,0|2,0,0]=3 1370 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,0,0,0,0,0|2,0,0]=3 1371 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,0,0,0,0,0|2,0,0]=3 1372 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,0,0,0,0,0|2,0,0]=3 1373 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,0,0,0,0,0|2,0,0]=3 1374 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|2,0,0]=3 1375 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|2,0,0]=3 1376 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|2,0,1]=4 1377 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|1,0,1]=3 1378 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|1,0,1]=3 1379 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1380 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1381 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1382 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1383 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1384 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1385 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,1]=4 1386 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,0,0,0,0,0|2,0,1]=4 1387 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,0,0,0,0,0|2,0,1]=4 1388 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,0,0,0,0|1,0,0]=2 1389 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,0,0,0,0|1,0,0]=2 1390 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,1]=4 1391 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,1]=4 1392 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|1,0,2]=4 1393 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|1,0,2]=4 1394 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,1,0,0,0,0|3,0,0]=4 1395 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [0,1,0,0,0,0|3,0,0]=4 1396 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [0,1,0,0,0,0|3,0,0]=4 1397 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [0,1,0,0,0,0|3,0,0]=4 1398 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [0,1,0,0,0,0|3,0,0]=4 1399 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [0,1,0,0,0,0|3,0,0]=4 1400 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [0,1,0,0,0,0|3,0,0]=4 1401 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [0,1,0,0,0,0|3,0,0]=4 1402 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,1,0,0,0,0|2,0,1]=4 1403 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,1,0,0,0,0|2,0,1]=4 1404 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,1,0,0,0,0|3,0,0]=4 1405 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,1,0,0,0,0|3,0,0]=4 1406 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,1,0,0,0,0|2,0,1]=4 1407 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,1,0,0,0,0|2,0,1]=4 1408 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [0,1,0,0,0,0|3,0,0]=4 1409 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [0,1,0,0,0,0|3,0,0]=4 1410 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [0,1,0,0,0,0|3,0,0]=4 1411 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [0,1,0,0,0,0|3,0,0]=4 1412 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [0,1,0,0,0,0|3,0,0]=4 1413 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [0,1,0,0,0,0|3,0,0]=4 1414 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [0,1,0,0,0,0|3,0,0]=4 1415 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [0,1,0,0,0,0|3,0,0]=4 1416 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,1,0,0,0,0|3,0,0]=4 1417 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,1,0,0,0,0|3,0,0]=4 1418 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,1,0,0,0,0|3,0,0]=4 1419 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,1,0,0,0,0|3,0,0]=4 1420 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [0,1,0,0,0,0|3,0,0]=4 1421 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [0,1,0,0,0,0|3,0,0]=4 1422 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [0,1,0,0,0,0|3,0,0]=4 1423 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [0,1,0,0,0,0|3,0,0]=4 1424 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [0,1,0,0,0,0|3,0,0]=4 1425 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [0,1,0,0,0,0|3,0,0]=4 1426 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [0,1,0,0,0,0|3,0,0]=4 1427 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [0,1,0,0,0,0|3,0,0]=4 1428 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [0,1,0,0,0,0|3,0,0]=4 1429 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [0,1,0,0,0,0|3,0,0]=4 1430 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,1,0,0,0,0|3,0,0]=4 1431 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,1,0,0,0,0|3,0,0]=4 1432 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,1,0,0,0,0|3,0,0]=4 1433 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,1,0,0,0,0|3,0,0]=4 1434 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [0,1,0,0,0,0|3,0,0]=4 1435 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [0,1,0,0,0,0|3,0,0]=4 1436 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [0,1,0,0,0,0|3,0,0]=4 1437 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,1,0,0,0,0|3,0,0]=4 1438 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,1,0,0,0,0|3,0,0]=4 1439 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,1,0,0,0,0|3,0,0]=4 1440 B10R0.1 C=COCCNC(C)CCC 2230a_100000741246_100000039644 [0,1,0,0,0,0|3,0,0]=4 1441 B10R0.1 C=COCCOC(C)CCC 34a_100000033082_100000766640 [0,1,0,0,0,0|3,0,0]=4 1442 B10R0.1 C=COCCOC(C)CCC 34a_100000764384_100000039644 [0,1,0,0,0,0|3,0,0]=4 1443 B10R0.1 C=COCCOC(C)CCC 7a_100000764384_100000039644 [0,1,0,0,0,0|3,0,0]=4 1444 B10R0.1 C=COCCSC(C)CCC 62a_100000039644_100000766640 [0,1,0,0,0,0|3,0,0]=4 1445 B10R0.1 C=COCCSC(C)CCC 62a_100000766640_100000039644 [0,1,0,0,0,0|3,0,0]=4 1446 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [0,1,0,0,0,0|3,0,0]=4 1447 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [0,1,0,0,0,0|3,0,0]=4 1448 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,1,0,0,0,0|2,0,1]=4 1449 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [0,1,0,0,0,0|3,0,0]=4 1450 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [0,1,0,0,0,0|3,0,0]=4 1451 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [0,1,0,0,0,0|3,0,0]=4 1452 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [0,1,0,0,0,0|3,0,0]=4 1453 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [0,1,0,0,0,0|3,0,0]=4 1454 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,1,0,0,0,0|2,0,1]=4 1455 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,1,0,0,0,0|2,0,1]=4 1456 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [0,1,0,0,0,0|2,0,1]=4 1457 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [0,1,0,0,0,0|2,0,1]=4 1458 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [0,1,0,0,0,0|2,0,0]=3 1459 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [0,1,0,0,0,0|2,0,0]=3 1460 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [0,1,0,0,0,0|2,0,0]=3 1461 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,1,0,0,0,0|2,0,0]=3 1462 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [0,1,0,0,0,0|2,0,0]=3 1463 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [0,1,0,0,0,0|2,0,0]=3 1464 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,1,0,0,0,0|2,0,1]=4 1465 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,1,0,0,0,0|2,0,1]=4 1466 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,1,0,0,0,0|2,0,1]=4 1467 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 1468 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 1469 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 1470 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,1,0,0,0,0|2,0,1]=4 1471 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,1,0,0,0,0|1,0,1]=3 1472 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,1,0,0,0,0|1,0,1]=3 1473 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,1,0,0,0,0|1,0,1]=3 1474 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,1,0,0,0,0|1,0,1]=3 1475 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,1,0,0,0,0|1,0,1]=3 1476 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,1,0,0,0,0|2,0,1]=4 1477 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,1,0,0,0,0|2,0,1]=4 1478 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,1,0,0,0,0|2,0,1]=4 1479 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,1,0,0,0,0|2,0,1]=4 1480 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,1,0,0,0,0|2,0,1]=4 1481 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,1,0,0,0,0|2,0,1]=4 1482 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,1,0,0,0,0|2,0,1]=4 1483 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,1,0,0,0,0|2,0,1]=4 1484 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,1,0,0,0,0|2,0,1]=4 1485 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,1,0,0,0,0|2,0,0]=3 1486 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,1,0,0,0,0|2,0,0]=3 1487 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [0,1,0,0,0,0|2,0,0]=3 1488 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [0,1,0,0,0,0|2,0,0]=3 1489 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [0,1,0,0,0,0|2,0,0]=3 1490 B10R0.1 CN(CC=O)CCCCCO 2230a_100000722520_200015260668 [0,1,0,0,0,0|3,0,0]=4 1491 B10R0.1 CN(CC=O)CCCCCO 269982a_100000722520_200015260668 [0,1,0,0,0,0|3,0,0]=4 1492 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [0,1,0,0,0,0|3,0,0]=4 1493 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [0,1,0,0,0,0|3,0,0]=4 1494 B10R0.1 COCC(C)SCCCC=O 62a_100000765312_200011292268 [0,1,0,0,0,0|3,0,0]=4 1495 B10R0.1 COCC(C)SCCCC=O 62a_200011292268_100000765312 [0,1,0,0,0,0|3,0,0]=4 1496 B10R0.1 COC[C@@H](C)NCCCC=O 2230a_100000764878_200011292268 [0,1,0,0,0,0|3,0,0]=4 1497 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [0,1,0,0,0,0|3,0,0]=4 1498 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,1,0,0,0,0|1,0,2]=4 1499 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,1,0,0,0,0|1,0,2]=4 1500 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,1,0,0,0,0|1,0,2]=4 1501 B10R0.4 C#CCCNCCNC(=O)C 2230a_100000209853_100000688953 [0,1,0,0,0,0|1,0,2]=4 1502 B10R0.4 C#CCCNCCNC(=O)N 34a_100020590234_100000688953 [0,1,0,0,0,0|1,0,2]=4 1503 B10R0.4 C#CCCOCCNC(=O)C 34a_100000158858_100000688953 [0,1,0,0,0,0|1,0,2]=4 1504 B10R0.4 C#CCCOCCNC(=O)N 34a_100000181757_100000688953 [0,1,0,0,0,0|1,0,2]=4 1505 B10R0.4 C#CCCSCCNC(=O)C 62a_100000189650_100000688953 [0,1,0,0,0,0|1,0,2]=4 1506 B10R0.4 C#CCCSCCNC(=O)C 62a_100000688953_100000189650 [0,1,0,0,0,0|1,0,2]=4 1507 B10R0.4 C#CCCSCCNC(=O)N 62a_100000688953_200000034859 [0,1,0,0,0,0|1,0,2]=4 1508 B10R0.4 C#CCCSCCNC(=O)N 62a_200000034859_100000688953 [0,1,0,0,0,0|1,0,2]=4 1509 B10R0.4 C#CCNCCCNC(=O)C 34a_100000736810_100000184674 [0,1,0,0,0,0|1,0,2]=4 1510 B10R0.4 C#CCOCCCNC(=O)C 34a_100000752032_100000184674 [0,1,0,0,0,0|1,0,2]=4 1511 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [0,1,0,0,0,0|3,0,0]=4 1512 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,1,0,0,0,0|3,0,0]=4 1513 B10R0.4 C/C=C/CNCCCC(C)C 34a_200000737386_100102629194 [0,1,0,0,0,0|3,0,0]=4 1514 B10R0.4 C/C=C/CNCCNC(=O)N 34a_100020590234_100102629194 [0,1,0,0,0,0|1,0,2]=4 1515 B10R0.4 C/C=C/COCCCC(C)C 34a_100000210774_100102629194 [0,1,0,0,0,0|3,0,0]=4 1516 B10R0.4 C/C=C/COCCCC(C)C 34a_100016270725_100011214892 [0,1,0,0,0,0|3,0,0]=4 1517 B10R0.4 C/C=C/COCCCC(C)C 7a_100000210774_100102629194 [0,1,0,0,0,0|3,0,0]=4 1518 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,1,0,0,0,0|3,0,0]=4 1519 B10R0.4 C/C=C/COCCNC(=O)C 34a_100000158858_100102629194 [0,1,0,0,0,0|1,0,2]=4 1520 B10R0.4 C/C=C/COCCNC(=O)N 34a_100000181757_100102629194 [0,1,0,0,0,0|1,0,2]=4 1521 B10R0.4 C/C=C/CSCCCC(C)C 62a_100011214892_100102629194 [0,1,0,0,0,0|3,0,0]=4 1522 B10R0.4 C/C=C/CSCCCC(C)C 62a_100102629194_100011214892 [0,1,0,0,0,0|3,0,0]=4 1523 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,1,0,0,0,0|3,0,0]=4 1524 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,1,0,0,0,0|3,0,0]=4 1525 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100000189650_100102629194 [0,1,0,0,0,0|1,0,2]=4 1526 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100102629194_100000189650 [0,1,0,0,0,0|1,0,2]=4 1527 B10R0.4 C/C=C/CSCCNC(=O)N 62a_100102629194_200000034859 [0,1,0,0,0,0|1,0,2]=4 1528 B10R0.4 C/C=C/CSCCNC(=O)N 62a_200000034859_100102629194 [0,1,0,0,0,0|1,0,2]=4 1529 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,1,0,0,0,0|3,0,0]=4 1530 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,1,0,0,0,0|3,0,0]=4 1531 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,1,0,0,0,0|3,0,0]=4 1532 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,1,0,0,0,0|3,0,0]=4 1533 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,1,0,0,0,0|3,0,0]=4 1534 B10R0.4 C=C(C)CCSCCCC=O 62a_100000730704_200011292268 [0,1,0,0,0,0|2,0,1]=4 1535 B10R0.4 C=C(C)CCSCCCC=O 62a_200011292268_100000730704 [0,1,0,0,0,0|2,0,1]=4 1536 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,1,0,0,0,0|3,0,0]=4 1537 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,1,0,0,0,0|3,0,0]=4 1538 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,1,0,0,0,0|3,0,0]=4 1539 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,0,0,0,0|3,0,0]=4 1540 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,0,0,0,0|3,0,0]=4 1541 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,0,0,0,0|3,0,0]=4 1542 B10R0.4 C=C(C)CSCCCCC=O 62a_100000139335_100000211660 [0,1,0,0,0,0|2,0,1]=4 1543 B10R0.4 C=C(C)CSCCCCC=O 62a_100000748629_100000139335 [0,1,0,0,0,0|2,0,1]=4 1544 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,1,0,0,0,0|3,0,0]=4 1545 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,1,0,0,0,0|3,0,0]=4 1546 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,1,0,0,0,0|3,0,0]=4 1547 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,1,0,0,0,0|3,0,0]=4 1548 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,1,0,0,0,0|3,0,0]=4 1549 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,1,0,0,0,0|3,0,0]=4 1550 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,1,0,0,0,0|3,0,0]=4 1551 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,1,0,0,0,0|3,0,0]=4 1552 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,1,0,0,0,0|1,0,2]=4 1553 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,1,0,0,0,0|1,0,2]=4 1554 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,1,0,0,0,0|1,0,2]=4 1555 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,1,0,0,0,0|3,0,0]=4 1556 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,1,0,0,0,0|3,0,0]=4 1557 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [0,1,0,0,0,0|3,0,0]=4 1558 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [0,1,0,0,0,0|3,0,0]=4 1559 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,1,0,0,0,0|3,0,0]=4 1560 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,1,0,0,0,0|3,0,0]=4 1561 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,1,0,0,0,0|3,0,0]=4 1562 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [0,1,0,0,0,0|3,0,0]=4 1563 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [0,1,0,0,0,0|3,0,0]=4 1564 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [0,1,0,0,0,0|3,0,0]=4 1565 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [0,1,0,0,0,0|3,0,0]=4 1566 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [0,1,0,0,0,0|3,0,0]=4 1567 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [0,1,0,0,0,0|3,0,0]=4 1568 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [0,1,0,0,0,0|3,0,0]=4 1569 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [0,1,0,0,0,0|3,0,0]=4 1570 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [0,1,0,0,0,0|3,0,0]=4 1571 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [0,1,0,0,0,0|3,0,0]=4 1572 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [0,1,0,0,0,0|3,0,0]=4 1573 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [0,1,0,0,0,0|3,0,0]=4 1574 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [0,1,0,0,0,0|3,0,0]=4 1575 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,1,0,0,0,0|3,0,0]=4 1576 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,1,0,0,0,0|3,0,0]=4 1577 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,1,0,0,0,0|3,0,0]=4 1578 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,1,0,0,0,0|3,0,0]=4 1579 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,1,0,0,0,0|3,0,0]=4 1580 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,1,0,0,0,0|3,0,0]=4 1581 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,1,0,0,0,0|3,0,0]=4 1582 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,1,0,0,0,0|3,0,0]=4 1583 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,1,0,0,0,0|3,0,0]=4 1584 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,1,0,0,0,0|3,0,0]=4 1585 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,1,0,0,0,0|3,0,0]=4 1586 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [0,1,0,0,0,0|3,0,0]=4 1587 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [0,1,0,0,0,0|3,0,0]=4 1588 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [0,1,0,0,0,0|3,0,0]=4 1589 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [0,1,0,0,0,0|3,0,0]=4 1590 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [0,1,0,0,0,0|3,0,0]=4 1591 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [0,1,0,0,0,0|3,0,0]=4 1592 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [0,1,0,0,0,0|3,0,0]=4 1593 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [0,1,0,0,0,0|3,0,0]=4 1594 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [0,1,0,0,0,0|3,0,0]=4 1595 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [0,1,0,0,0,0|3,0,0]=4 1596 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [0,1,0,0,0,0|3,0,0]=4 1597 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [0,1,0,0,0,0|3,0,0]=4 1598 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,1,0,0,0,0|3,0,0]=4 1599 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,1,0,0,0,0|3,0,0]=4 1600 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,1,0,0,0,0|3,0,0]=4 1601 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,1,0,0,0,0|3,0,0]=4 1602 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,1,0,0,0,0|3,0,0]=4 1603 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,1,0,0,0,0|3,0,0]=4 1604 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,1,0,0,0,0|3,0,0]=4 1605 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,1,0,0,0,0|3,0,0]=4 1606 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [0,1,0,0,0,0|3,0,0]=4 1607 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [0,1,0,0,0,0|3,0,0]=4 1608 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [0,1,0,0,0,0|3,0,0]=4 1609 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [0,1,0,0,0,0|3,0,0]=4 1610 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [0,1,0,0,0,0|3,0,0]=4 1611 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [0,1,0,0,0,0|3,0,0]=4 1612 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [0,1,0,0,0,0|3,0,0]=4 1613 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [0,1,0,0,0,0|3,0,0]=4 1614 B10R0.4 C=CCCNCCNC(=O)C 2230a_100000209853_100000754431 [0,1,0,0,0,0|1,0,2]=4 1615 B10R0.4 C=CCCNCCNC(=O)C 2230a_100015191253_100000189650 [0,1,0,0,0,0|1,0,2]=4 1616 B10R0.4 C=CCCNCCNC(=O)N 2230a_100015191253_200000034859 [0,1,0,0,0,0|1,0,2]=4 1617 B10R0.4 C=CCCNCCNC(=O)N 34a_100020590234_100000754431 [0,1,0,0,0,0|1,0,2]=4 1618 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [0,1,0,0,0,0|3,0,0]=4 1619 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [0,1,0,0,0,0|3,0,0]=4 1620 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [0,1,0,0,0,0|3,0,0]=4 1621 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [0,1,0,0,0,0|3,0,0]=4 1622 B10R0.4 C=CCCOCCNC(=O)C 34a_100000158858_100000754431 [0,1,0,0,0,0|1,0,2]=4 1623 B10R0.4 C=CCCOCCNC(=O)N 34a_100000181757_100000754431 [0,1,0,0,0,0|1,0,2]=4 1624 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [0,1,0,0,0,0|3,0,0]=4 1625 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [0,1,0,0,0,0|3,0,0]=4 1626 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [0,1,0,0,0,0|3,0,0]=4 1627 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [0,1,0,0,0,0|3,0,0]=4 1628 B10R0.4 C=CCCSCCNC(=O)C 62a_100000189650_100000754431 [0,1,0,0,0,0|1,0,2]=4 1629 B10R0.4 C=CCCSCCNC(=O)C 62a_100000754431_100000189650 [0,1,0,0,0,0|1,0,2]=4 1630 B10R0.4 C=CCCSCCNC(=O)N 62a_100000754431_200000034859 [0,1,0,0,0,0|1,0,2]=4 1631 B10R0.4 C=CCCSCCNC(=O)N 62a_200000034859_100000754431 [0,1,0,0,0,0|1,0,2]=4 1632 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [0,1,0,0,0,0|3,0,0]=4 1633 B10R0.4 C=CCNCCCNC(=O)C 34a_100000736810_100015514636 [0,1,0,0,0,0|1,0,2]=4 1634 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,1,0,0,0,0|3,0,0]=4 1635 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,1,0,0,0,0|3,0,0]=4 1636 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,1,0,0,0,0|3,0,0]=4 1637 B10R0.4 C=CCOCCCNC(=O)C 34a_100000752032_100015514636 [0,1,0,0,0,0|1,0,2]=4 1638 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [0,1,0,0,0,0|3,0,0]=4 1639 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [0,1,0,0,0,0|3,0,0]=4 1640 B10R0.4 C=COCCCCOC(C)C 34a_100000031558_100000210206 [0,1,0,0,0,0|3,0,0]=4 1641 B10R0.4 C=COCCCCOC(C)C 7a_100000031558_100000210206 [0,1,0,0,0,0|3,0,0]=4 1642 B10R0.4 C=COCCCNCC(C)C 2230a_100000210767_100000210760 [0,1,0,0,0,0|3,0,0]=4 1643 B10R0.4 C=COCCCNCC(C)C 270004a_100000210767_100000210432 [0,1,0,0,0,0|3,0,0]=4 1644 B10R0.4 C=COCCCNCC(C)C 34a_100000210767_100000210624 [0,1,0,0,0,0|3,0,0]=4 1645 B10R0.4 C=COCCCNCC(C)O 2230a_100000210767_100011218427 [0,1,0,0,0,0|3,0,0]=4 1646 B10R0.4 C=COCCCNCC(C)O 34a_100000210767_100011218427 [0,1,0,0,0,0|3,0,0]=4 1647 B10R0.4 C=COCCCNC[C@@H](C)O 2230a_100000210767_100009817552 [0,1,0,0,0,0|3,0,0]=4 1648 B10R0.4 C=COCCCNC[C@@H](C)O 34a_100000210767_100009817552 [0,1,0,0,0,0|3,0,0]=4 1649 B10R0.4 C=COCCNCCC(C)O 2230a_200000755665_100000039644 [0,1,0,0,0,0|3,0,0]=4 1650 B10R0.4 C=COCCOCCC(C)Br 34a_100009893172_100000039644 [0,1,0,0,0,0|3,0,0]=4 1651 B10R0.4 C=COCCOCCC(C)C 34a_100000033082_100000210312 [0,1,0,0,0,0|3,0,0]=4 1652 B10R0.4 C=COCCOCCC(C)C 34a_100000210254_100000039644 [0,1,0,0,0,0|3,0,0]=4 1653 B10R0.4 C=COCCOCCC(C)C 7a_100000210254_100000039644 [0,1,0,0,0,0|3,0,0]=4 1654 B10R0.4 C=COCCOCCC(C)O 34a_100000033082_100012276601 [0,1,0,0,0,0|3,0,0]=4 1655 B10R0.4 C=COCCOCC[C@@H](C)N 34a_100000706166_100000039644 [0,1,0,0,0,0|3,0,0]=4 1656 B10R0.4 C=COCCSCCC(C)C 62a_100000039644_100000210312 [0,1,0,0,0,0|3,0,0]=4 1657 B10R0.4 C=COCCSCCC(C)C 62a_100000210312_100000039644 [0,1,0,0,0,0|3,0,0]=4 1658 B10R0.4 C=COCCSCCC(C)O 62a_100000039644_100012276601 [0,1,0,0,0,0|3,0,0]=4 1659 B10R0.4 C=COCCSCCC(C)O 62a_100012276601_100000039644 [0,1,0,0,0,0|3,0,0]=4 1660 B10R0.4 CC#CCNCCNC(=O)C 2230a_100000209853_100000748600 [0,1,0,0,0,0|1,0,2]=4 1661 B10R0.4 CC#CCNCCNC(=O)C 2230a_100000685387_100000189650 [0,1,0,0,0,0|1,0,2]=4 1662 B10R0.4 CC#CCNCCNC(=O)N 2230a_100000685387_200000034859 [0,1,0,0,0,0|1,0,2]=4 1663 B10R0.4 CC#CCNCCNC(=O)N 34a_100020590234_100000748600 [0,1,0,0,0,0|1,0,2]=4 1664 B10R0.4 CC#CCOCCNC(=O)C 34a_100000158858_100000748600 [0,1,0,0,0,0|1,0,2]=4 1665 B10R0.4 CC#CCOCCNC(=O)N 34a_100000181757_100000748600 [0,1,0,0,0,0|1,0,2]=4 1666 B10R0.4 CC#CCSCCNC(=O)C 62a_100000189650_100000748600 [0,1,0,0,0,0|1,0,2]=4 1667 B10R0.4 CC#CCSCCNC(=O)C 62a_100000748600_100000189650 [0,1,0,0,0,0|1,0,2]=4 1668 B10R0.4 CC#CCSCCNC(=O)N 62a_100000748600_200000034859 [0,1,0,0,0,0|1,0,2]=4 1669 B10R0.4 CC#CCSCCNC(=O)N 62a_200000034859_100000748600 [0,1,0,0,0,0|1,0,2]=4 1670 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,1,0,0,0,0|2,0,1]=4 1671 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|2,0,0]=3 1672 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|2,0,0]=3 1673 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,0,0,0,0|3,0,0]=4 1674 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,0,0,0,0|3,0,0]=4 1675 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,0,0,0,0|3,0,0]=4 1676 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,0,0,0,0|3,0,0]=4 1677 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,1,0,0,0,0|2,0,1]=4 1678 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,1,0,0,0,0|2,0,1]=4 1679 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,0,0,0,0|3,0,0]=4 1680 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,0,0,0,0|3,0,0]=4 1681 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,0,0,0,0|3,0,0]=4 1682 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,0,0,0,0|3,0,0]=4 1683 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,0,0,0,0|3,0,0]=4 1684 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,0,0,0,0|3,0,0]=4 1685 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,0,0,0,0|3,0,0]=4 1686 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,0,0,0,0|3,0,0]=4 1687 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,0,0,0,0|3,0,0]=4 1688 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,0,0,0,0|3,0,0]=4 1689 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,0,0,0,0|3,0,0]=4 1690 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,0,0,0,0|3,0,0]=4 1691 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,0,0,0,0|3,0,0]=4 1692 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,0,0,0,0|3,0,0]=4 1693 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,0,0,0,0|3,0,0]=4 1694 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,0,0,0,0|3,0,0]=4 1695 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,0,0,0,0|3,0,0]=4 1696 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,1,0,0,0,0|2,0,1]=4 1697 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,0,0,0,0|3,0,0]=4 1698 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,0,0,0,0|3,0,0]=4 1699 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,0,0,0,0|3,0,0]=4 1700 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,0,0,0,0|3,0,0]=4 1701 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,0,0,0,0|3,0,0]=4 1702 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,0,0,0,0|3,0,0]=4 1703 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,1,0,0,0,0|2,0,1]=4 1704 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,1,0,0,0,0|2,0,1]=4 1705 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,0,0,0,0|3,0,0]=4 1706 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,0,0,0,0|3,0,0]=4 1707 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,0,0,0,0|3,0,0]=4 1708 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,0,0,0,0|3,0,0]=4 1709 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,0,0,0,0|3,0,0]=4 1710 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|3,0,0]=4 1711 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,1,0,0,0,0|1,0,1]=3 1712 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,1,0,0,0,0|1,0,1]=3 1713 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,1,0,0,0,0|1,0,1]=3 1714 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,1,0,0,0,0|1,0,1]=3 1715 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,0,0,0,0|1,0,0]=2 1716 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,0,0,0,0|1,0,0]=2 1717 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,0,0,0,0|1,0,0]=2 1718 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,0,0,0,0|1,0,0]=2 1719 B10R0.4 CC(=O)NCCCCN=[N+]=[N-] 11a_100000101370_100015343762 [0,1,0,0,0,0|3,0,0]=4 1720 B10R0.4 CC(=O)NCCCCN=[N+]=[N-] 240690a_100000101370_100015343762 [0,1,0,0,0,0|3,0,0]=4 1721 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,1,0,0,0,0|2,0,0]=3 1722 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [0,1,0,0,0,0|2,0,1]=4 1723 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,1,0,0,0,0|2,0,0]=3 1724 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,1,0,0,0,0|2,0,0]=3 1725 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [0,1,0,0,0,0|2,0,1]=4 1726 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,1,0,0,0,0|2,0,0]=3 1727 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,1,0,0,0,0|2,0,0]=3 1728 B10R0.4 CC(=O)NCCNCCC#N 2230a_100000209853_100011215226 [0,1,0,0,0,0|2,0,1]=4 1729 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,1,0,0,0,0|2,0,0]=3 1730 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,1,0,0,0,0|2,0,0]=3 1731 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,1,0,0,0,0|2,0,0]=3 1732 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,1,0,0,0,0|2,0,0]=3 1733 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,1,0,0,0,0|2,0,0]=3 1734 B10R0.4 CC(=O)NCCSCCC#N 62a_100000189650_100011215226 [0,1,0,0,0,0|2,0,1]=4 1735 B10R0.4 CC(=O)NCCSCCC#N 62a_100011215226_100000189650 [0,1,0,0,0,0|2,0,1]=4 1736 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,1,0,0,0,0|2,0,0]=3 1737 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,1,0,0,0,0|2,0,0]=3 1738 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,1,0,0,0,0|2,0,0]=3 1739 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,1,0,0,0,0|2,0,0]=3 1740 B10R0.4 CC(=O)NN=CCCCCO 4a_100000189765_100000031955 [0,1,0,0,0,0|2,0,1]=4 1741 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,0,0,0,0|2,0,0]=3 1742 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,0,0,0,0|2,0,0]=3 1743 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,1,0,0,0,0|3,0,0]=4 1744 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,1,0,0,0,0|3,0,0]=4 1745 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,1,0,0,0,0|3,0,0]=4 1746 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,1,0,0,0,0|3,0,0]=4 1747 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,1,0,0,0,0|3,0,0]=4 1748 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,1,0,0,0,0|3,0,0]=4 1749 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,1,0,0,0,0|3,0,0]=4 1750 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,1,0,0,0,0|3,0,0]=4 1751 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,1,0,0,0,0|3,0,0]=4 1752 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,1,0,0,0,0|3,0,0]=4 1753 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,1,0,0,0,0|3,0,0]=4 1754 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,1,0,0,0,0|3,0,0]=4 1755 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,1,0,0,0,0|3,0,0]=4 1756 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,1,0,0,0,0|3,0,0]=4 1757 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,1,0,0,0,0|3,0,0]=4 1758 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,1,0,0,0,0|3,0,0]=4 1759 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,1,0,0,0,0|3,0,0]=4 1760 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,1,0,0,0,0|3,0,0]=4 1761 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,1,0,0,0,0|3,0,0]=4 1762 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,1,0,0,0,0|3,0,0]=4 1763 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,1,0,0,0,0|3,0,0]=4 1764 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,1,0,0,0,0|3,0,0]=4 1765 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,1,0,0,0,0|3,0,0]=4 1766 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,1,0,0,0,0|3,0,0]=4 1767 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,1,0,0,0,0|3,0,0]=4 1768 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,1,0,0,0,0|3,0,0]=4 1769 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,1,0,0,0,0|3,0,0]=4 1770 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,1,0,0,0,0|3,0,0]=4 1771 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,1,0,0,0,0|3,0,0]=4 1772 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,1,0,0,0,0|3,0,0]=4 1773 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,1,0,0,0,0|3,0,0]=4 1774 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,1,0,0,0,0|3,0,0]=4 1775 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,1,0,0,0,0|3,0,0]=4 1776 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,1,0,0,0,0|3,0,0]=4 1777 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,1,0,0,0,0|3,0,0]=4 1778 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,1,0,0,0,0|3,0,0]=4 1779 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,1,0,0,0,0|3,0,0]=4 1780 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,1,0,0,0,0|3,0,0]=4 1781 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,1,0,0,0,0|3,0,0]=4 1782 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,1,0,0,0,0|3,0,0]=4 1783 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,1,0,0,0,0|3,0,0]=4 1784 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,1,0,0,0,0|3,0,0]=4 1785 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,1,0,0,0,0|3,0,0]=4 1786 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,1,0,0,0,0|3,0,0]=4 1787 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,1,0,0,0,0|3,0,0]=4 1788 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,1,0,0,0,0|3,0,0]=4 1789 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [0,1,0,0,0,0|1,0,1]=3 1790 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,1,0,0,0,0|2,0,1]=4 1791 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,1,0,0,0,0|2,0,1]=4 1792 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [0,1,0,0,0,0|2,0,1]=4 1793 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [0,1,0,0,0,0|2,0,1]=4 1794 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,1,0,0,0,0|2,0,0]=3 1795 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,1,0,0,0,0|2,0,0]=3 1796 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,1,0,0,0,0|2,0,0]=3 1797 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,1,0,0,0,0|2,0,0]=3 1798 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,1,0,0,0,0|2,0,0]=3 1799 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,1,0,0,0,0|2,0,0]=3 1800 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,1,0,0,0,0|2,0,0]=3 1801 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,1,0,0,0,0|2,0,0]=3 1802 B10R0.4 CC(C)CNCCOCC=O 34a_100015185251_200009817547 [0,1,0,0,0,0|3,0,0]=4 1803 B10R0.4 CC(C)COCCCNCF 34a_100000205972_100015361967 [0,1,0,0,0,0|2,0,1]=4 1804 B10R0.4 CC(C)COCCOCC=O 34a_100000703358_200009817547 [0,1,0,0,0,0|3,0,0]=4 1805 B10R0.4 CC(C)COCCOCC=O 7a_100000703358_200015260668 [0,1,0,0,0,0|3,0,0]=4 1806 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,1,0,0,0,0|2,0,0]=3 1807 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,1,0,0,0,0|2,0,0]=3 1808 B10R0.4 CC(C)CSCCOCC=O 34a_200000230437_200009817547 [0,1,0,0,0,0|3,0,0]=4 1809 B10R0.4 CC(C)CSCCOCC=O 7a_200000230437_200015260668 [0,1,0,0,0,0|3,0,0]=4 1810 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,1,0,0,0,0|2,0,0]=3 1811 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,1,0,0,0,0|2,0,1]=4 1812 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,1,0,0,0,0|2,0,1]=4 1813 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,1,0,0,0,0|2,0,1]=4 1814 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,1,0,0,0,0|2,0,1]=4 1815 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,1,0,0,0,0|2,0,1]=4 1816 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,1,0,0,0,0|2,0,1]=4 1817 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,1,0,0,0,0|2,0,1]=4 1818 B10R0.4 CC(C)NCCCOCC=O 34a_100000182298_200009817547 [0,1,0,0,0,0|3,0,0]=4 1819 B10R0.4 CC(C)OCCCNCC=O 2230a_100000737246_200015260668 [0,1,0,0,0,0|3,0,0]=4 1820 B10R0.4 CC(C)OCCCNCC=O 34a_100000737246_200009817547 [0,1,0,0,0,0|3,0,0]=4 1821 B10R0.4 CC(C)OCSCCCC=O 62a_100000709892_200011292268 [0,1,0,0,0,0|3,0,0]=4 1822 B10R0.4 CC(C)OCSCCCC=O 62a_200011292268_100000709892 [0,1,0,0,0,0|3,0,0]=4 1823 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,1,0,0,0,0|2,0,0]=3 1824 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,1,0,0,0,0|2,0,0]=3 1825 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,1,0,0,0,0|2,0,0]=3 1826 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,1,0,0,0,0|2,0,0]=3 1827 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,1,0,0,0,0|2,0,0]=3 1828 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,1,0,0,0,0|2,0,0]=3 1829 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,1,0,0,0,0|2,0,0]=3 1830 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,1,0,0,0,0|2,0,0]=3 1831 B10R0.4 CC=CCCCOCC(C)C 34a_100020645299_100000210624 [0,1,0,0,0,0|3,0,0]=4 1832 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,1,0,0,0,0|3,0,0]=4 1833 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,1,0,0,0,0|3,0,0]=4 1834 B10R0.4 CC=CCNCCCC(C)C 2230a_200000737386_100000070051 [0,1,0,0,0,0|3,0,0]=4 1835 B10R0.4 CC=CCNCCCC(C)C 34a_200000737386_100000070051 [0,1,0,0,0,0|3,0,0]=4 1836 B10R0.4 CC=CCNCCNC(=O)C 2230a_100000209853_100000070051 [0,1,0,0,0,0|1,0,2]=4 1837 B10R0.4 CC=CCNCCNC(=O)N 34a_100020590234_100000070051 [0,1,0,0,0,0|1,0,2]=4 1838 B10R0.4 CC=CCOCCCC(C)C 34a_100000210774_100000070051 [0,1,0,0,0,0|3,0,0]=4 1839 B10R0.4 CC=CCOCCCC(C)C 7a_100000210774_100000070051 [0,1,0,0,0,0|3,0,0]=4 1840 B10R0.4 CC=CCOCCNC(=O)C 34a_100000158858_100000070051 [0,1,0,0,0,0|1,0,2]=4 1841 B10R0.4 CC=CCOCCNC(=O)N 34a_100000181757_100000070051 [0,1,0,0,0,0|1,0,2]=4 1842 B10R0.4 CC=CCSCCCC(C)C 62a_100000070051_100011214892 [0,1,0,0,0,0|3,0,0]=4 1843 B10R0.4 CC=CCSCCCC(C)C 62a_100011214892_100000070051 [0,1,0,0,0,0|3,0,0]=4 1844 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,1,0,0,0,0|3,0,0]=4 1845 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,1,0,0,0,0|3,0,0]=4 1846 B10R0.4 CC=CCSCCNC(=O)C 62a_100000070051_100000189650 [0,1,0,0,0,0|1,0,2]=4 1847 B10R0.4 CC=CCSCCNC(=O)C 62a_100000189650_100000070051 [0,1,0,0,0,0|1,0,2]=4 1848 B10R0.4 CC=CCSCCNC(=O)N 62a_100000070051_200000034859 [0,1,0,0,0,0|1,0,2]=4 1849 B10R0.4 CC=CCSCCNC(=O)N 62a_200000034859_100000070051 [0,1,0,0,0,0|1,0,2]=4 1850 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,0,0,0,0|1,0,2]=4 1851 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,0,0,0,0|1,0,2]=4 1852 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,1,0,0,0,0|1,0,2]=4 1853 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,1,0,0,0,0|1,0,1]=3 1854 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,0,0,0,0|1,0,1]=3 1855 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,0,0,0,0|1,0,1]=3 1856 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|1,0,0]=2 1857 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|1,0,0]=2 1858 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|1,0,0]=2 1859 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,1,0,0,0,0|3,0,0]=4 1860 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,1,0,0,0,0|3,0,0]=4 1861 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,1,0,0,0,0|3,0,0]=4 1862 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,1,0,0,0,0|3,0,0]=4 1863 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,1,0,0,0,0|3,0,0]=4 1864 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,1,0,0,0,0|3,0,0]=4 1865 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|0,0,0]=1 1866 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|0,0,0]=1 1867 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|0,0,0]=1 1868 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|0,0,0]=1 1869 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,1,0,0,0,0|1,0,1]=3 1870 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,1,0,0,0,0|1,0,1]=3 1871 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,1,0,0,0,0|1,0,1]=3 1872 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,1,0,0,0,0|2,0,1]=4 1873 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,1,0,0,0,0|2,0,1]=4 1874 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,1,0,0,0,0|2,0,1]=4 1875 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,1,0,0,0,0|2,0,1]=4 1876 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,1,0,0,0,0|2,0,1]=4 1877 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,1,0,0,0,0|2,0,0]=3 1878 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,1,0,0,0,0|2,0,0]=3 1879 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,0,0,0,0|2,0,0]=3 1880 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|2,0,0]=3 1881 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,0,0,0,0|2,0,0]=3 1882 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,0,0,0,0|2,0,0]=3 1883 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,0,0,0,0|2,0,0]=3 1884 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,1,0,0,0,0|3,0,0]=4 1885 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,1,0,0,0,0|2,0,0]=3 1886 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,1,0,0,0,0|2,0,0]=3 1887 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,1,0,0,0,0|2,0,0]=3 1888 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,1,0,0,0,0|2,0,0]=3 1889 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,1,0,0,0,0|3,0,0]=4 1890 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,1,0,0,0,0|3,0,0]=4 1891 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,1,0,0,0,0|3,0,0]=4 1892 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,0,0,0,0|2,0,0]=3 1893 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,1,0,0,0,0|3,0,0]=4 1894 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,1,0,0,0,0|3,0,0]=4 1895 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,1,0,0,0,0|3,0,0]=4 1896 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,1,0,0,0,0|3,0,0]=4 1897 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|2,0,0]=3 1898 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|2,0,0]=3 1899 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|2,0,0]=3 1900 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,0,0,0,0|2,0,0]=3 1901 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,0,0,0,0|2,0,0]=3 1902 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,0,0,0,0|2,0,0]=3 1903 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,0,0,0,0|2,0,0]=3 1904 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,0,0,0,0|2,0,0]=3 1905 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,1,0,0,0,0|3,0,0]=4 1906 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,1,0,0,0,0|3,0,0]=4 1907 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|2,0,0]=3 1908 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|2,0,0]=3 1909 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,0,0,0,0|2,0,0]=3 1910 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,0,0,0,0|2,0,0]=3 1911 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,0,0,0,0|2,0,0]=3 1912 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,0,0,0,0|2,0,0]=3 1913 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,1,0,0,0,0|3,0,0]=4 1914 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,1,0,0,0,0|3,0,0]=4 1915 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,1,0,0,0,0|3,0,0]=4 1916 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,1,0,0,0,0|3,0,0]=4 1917 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|2,0,0]=3 1918 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,0,0,0,0|2,0,0]=3 1919 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,0,0,0,0|2,0,0]=3 1920 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,1,0,0,0,0|3,0,0]=4 1921 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,0,0,0,0|1,0,0]=2 1922 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,0,0,0,0|1,0,0]=2 1923 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,0,0,0,0|1,0,0]=2 1924 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,1,0,0,0,0|1,0,0]=2 1925 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,1,0,0,0,0|1,0,0]=2 1926 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,1,0,0,0,0|1,0,0]=2 1927 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,0,0,0,0|2,0,0]=3 1928 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,1,0,0,0,0|2,0,0]=3 1929 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,1,0,0,0,0|3,0,0]=4 1930 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,1,0,0,0,0|3,0,0]=4 1931 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,1,0,0,0,0|3,0,0]=4 1932 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,1,0,0,0,0|3,0,0]=4 1933 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|2,0,0]=3 1934 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|2,0,0]=3 1935 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|2,0,0]=3 1936 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|2,0,0]=3 1937 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,0,0,0,0|2,0,0]=3 1938 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,0,0,0,0|2,0,0]=3 1939 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,1,0,0,0,0|3,0,0]=4 1940 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,0,0,0,0|1,0,0]=2 1941 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,0,0,0,0|1,0,0]=2 1942 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,1,0,0,0,0|1,0,0]=2 1943 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,1,0,0,0,0|1,0,0]=2 1944 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [0,1,0,0,0,0|2,0,1]=4 1945 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [0,1,0,0,0,0|2,0,1]=4 1946 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [0,1,0,0,0,0|2,0,1]=4 1947 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,0,0,0,0|2,0,0]=3 1948 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,0,0,0,0|2,0,0]=3 1949 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,1,0,0,0,0|2,0,0]=3 1950 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,1,0,0,0,0|2,0,0]=3 1951 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,1,0,0,0,0|2,0,0]=3 1952 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,1,0,0,0,0|3,0,0]=4 1953 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,1,0,0,0,0|3,0,0]=4 1954 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,0,0,0,0|3,0,0]=4 1955 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,1,0,0,0,0|3,0,0]=4 1956 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,1,0,0,0,0|3,0,0]=4 1957 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,1,0,0,0,0|3,0,0]=4 1958 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,1,0,0,0,0|3,0,0]=4 1959 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,1,0,0,0,0|3,0,0]=4 1960 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,1,0,0,0,0|3,0,0]=4 1961 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,1,0,0,0,0|3,0,0]=4 1962 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,1,0,0,0,0|3,0,0]=4 1963 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|2,0,0]=3 1964 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|2,0,0]=3 1965 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,0,0,0,0|2,0,0]=3 1966 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,0,0,0,0|2,0,0]=3 1967 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,0,0,0,0|1,0,0]=2 1968 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,0,0,0,0|1,0,0]=2 1969 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,0,0,0,0|1,0,0]=2 1970 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,0,0,0,0|1,0,0]=2 1971 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,0,0,0,0|1,0,0]=2 1972 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,0,0,0,0|1,0,0]=2 1973 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,1,0,0,0,0|1,0,0]=2 1974 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,1,0,0,0,0|1,0,0]=2 1975 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [0,1,0,0,0,0|2,0,1]=4 1976 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,0,0,0,0|2,0,0]=3 1977 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,0,0,0,0|2,0,0]=3 1978 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,1,0,0,0,0|2,0,0]=3 1979 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,1,0,0,0,0|2,0,0]=3 1980 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,1,0,0,0,0|2,0,0]=3 1981 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,0,0,0,0|1,0,0]=2 1982 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,0,0,0,0|3,0,0]=4 1983 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|2,0,0]=3 1984 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,0,0,0,0|2,0,0]=3 1985 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,0,0,0,0|2,0,0]=3 1986 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,1,0,0,0,0|3,0,0]=4 1987 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,1,0,0,0,0|3,0,0]=4 1988 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,0,0,0,0|1,0,0]=2 1989 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,0,0,0,0|1,0,0]=2 1990 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,0,0,0,0|1,0,0]=2 1991 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,0,0,0,0|1,0,0]=2 1992 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [0,1,0,0,0,0|2,0,1]=4 1993 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [0,1,0,0,0,0|2,0,1]=4 1994 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [0,1,0,0,0,0|2,0,1]=4 1995 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,0,0,0,0|2,0,0]=3 1996 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,1,0,0,0,0|2,1,0]=4 1997 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,0,0,0,0|2,0,0]=3 1998 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,1,0,0,0,0|3,0,0]=4 1999 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,1,0,0,0,0|3,0,0]=4 2000 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,1,0,0,0,0|3,0,0]=4 2001 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,0,0,0,0|3,0,0]=4 2002 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,1,0,0,0,0|3,0,0]=4 2003 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,0,0,0,0|3,0,0]=4 2004 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,0,0,0,0|3,0,0]=4 2005 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,0,0,0,0|3,0,0]=4 2006 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,0,0,0,0|3,0,0]=4 2007 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,0,0,0,0|3,0,0]=4 2008 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,1,0,0,0,0|3,0,0]=4 2009 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,1,0,0,0,0|3,0,0]=4 2010 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,1,0,0,0,0|3,0,0]=4 2011 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,1,0,0,0,0|3,0,0]=4 2012 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|2,0,0]=3 2013 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|2,0,0]=3 2014 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,0,0,0,0|2,0,0]=3 2015 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,0,0,0,0|2,0,0]=3 2016 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,1,0,0,0,0|2,1,0]=4 2017 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,1,0,0,0,0|2,1,0]=4 2018 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,0,0,0,0|2,0,0]=3 2019 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,0,0,0,0|2,0,0]=3 2020 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,1,0,0,0,0|3,0,0]=4 2021 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,1,0,0,0,0|3,0,0]=4 2022 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,1,0,0,0,0|3,0,0]=4 2023 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,1,0,0,0,0|3,0,0]=4 2024 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,1,0,0,0,0|3,0,0]=4 2025 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,1,0,0,0,0|3,0,0]=4 2026 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,1,0,0,0,0|2,0,0]=3 2027 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,1,0,0,0,0|1,0,1]=3 2028 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,1,0,0,0,0|1,0,1]=3 2029 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,1,0,0,0,0|1,0,1]=3 2030 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,0,0,0,0|1,0,0]=2 2031 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,0,0,0,0|1,0,0]=2 2032 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,0,0,0,0|2,0,0]=3 2033 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [0,1,0,0,0,0|2,0,1]=4 2034 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [0,1,0,0,0,0|2,0,1]=4 2035 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,1,0,0,0,0|2,0,0]=3 2036 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,1,0,0,0,0|2,0,0]=3 2037 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,1,0,0,0,0|2,0,0]=3 2038 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,1,0,0,0,0|2,0,0]=3 2039 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,1,0,0,0,0|2,0,1]=4 2040 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,1,0,0,0,0|2,0,1]=4 2041 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,1,0,0,0,0|2,0,1]=4 2042 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [0,1,0,0,0,0|2,0,1]=4 2043 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,0,0,0,0|2,0,0]=3 2044 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,0,0,0,0|2,0,0]=3 2045 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,0,0,0,0|2,0,0]=3 2046 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [0,1,0,0,0,0|3,0,0]=4 2047 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,0,0,0,0|2,0,0]=3 2048 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,1,0,0,0,0|3,0,0]=4 2049 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,1,0,0,0,0|3,0,0]=4 2050 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,1,0,0,0,0|3,0,0]=4 2051 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,1,0,0,0,0|3,0,0]=4 2052 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,1,0,0,0,0|3,0,0]=4 2053 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,0,0,0,0|3,0,0]=4 2054 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,1,0,0,0,0|3,0,0]=4 2055 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,1,0,0,0,0|3,0,0]=4 2056 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,1,0,0,0,0|3,0,0]=4 2057 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,1,0,0,0,0|3,0,0]=4 2058 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,1,0,0,0,0|3,0,0]=4 2059 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,1,0,0,0,0|3,0,0]=4 2060 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,1,0,0,0,0|3,0,0]=4 2061 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,1,0,0,0,0|3,0,0]=4 2062 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,1,0,0,0,0|3,0,0]=4 2063 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,1,0,0,0,0|3,0,0]=4 2064 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,0,0,0,0|3,0,0]=4 2065 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,0,0,0,0|3,0,0]=4 2066 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,0,0,0,0|3,0,0]=4 2067 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,0,0,0,0|3,0,0]=4 2068 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,1,0,0,0,0|3,0,0]=4 2069 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,1,0,0,0,0|3,0,0]=4 2070 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,1,0,0,0,0|3,0,0]=4 2071 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,1,0,0,0,0|3,0,0]=4 2072 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,1,0,0,0,0|3,0,0]=4 2073 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,0,0,0,0|3,0,0]=4 2074 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,0,0,0,0|3,0,0]=4 2075 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,1,0,0,0,0|3,0,0]=4 2076 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,1,0,0,0,0|3,0,0]=4 2077 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,1,0,0,0,0|3,0,0]=4 2078 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,1,0,0,0,0|3,0,0]=4 2079 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,1,0,0,0,0|3,0,0]=4 2080 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,0,0,0,0|3,0,0]=4 2081 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,0,0,0,0|3,0,0]=4 2082 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,1,0,0,0,0|3,0,0]=4 2083 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,1,0,0,0,0|3,0,0]=4 2084 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,1,0,0,0,0|2,0,0]=3 2085 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,1,0,0,0,0|2,0,0]=3 2086 B10R0.4 CCOCSCCNC(=O)N 62a_100000739092_200000034859 [0,1,0,0,0,0|2,0,0]=3 2087 B10R0.4 CCOCSCCNC(=O)N 62a_200000034859_100000739092 [0,1,0,0,0,0|2,0,0]=3 2088 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,1,0,0,0,0|3,0,0]=4 2089 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,1,0,0,0,0|3,0,0]=4 2090 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,1,0,0,0,0|3,0,0]=4 2091 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,1,0,0,0,0|3,0,0]=4 2092 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,1,0,0,0,0|2,0,0]=3 2093 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,1,0,0,0,0|2,0,0]=3 2094 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,1,0,0,0,0|2,0,1]=4 2095 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,1,0,0,0,0|2,0,1]=4 2096 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,0,0,0,0|2,0,0]=3 2097 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,0,0,0,0|2,0,0]=3 2098 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,1,0,0,0,0|3,0,0]=4 2099 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,0,0,0,0|2,0,0]=3 2100 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,0,0,0,0|2,0,0]=3 2101 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,1,0,0,0,0|3,0,0]=4 2102 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,1,0,0,0,0|3,0,0]=4 2103 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,1,0,0,0,0|3,0,0]=4 2104 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,1,0,0,0,0|3,0,0]=4 2105 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,0,0,0,0|3,0,0]=4 2106 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,0,0,0,0|3,0,0]=4 2107 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,0,0,0,0|3,0,0]=4 2108 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,1,0,0,0,0|3,0,0]=4 2109 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,1,0,0,0,0|3,0,0]=4 2110 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,1,0,0,0,0|3,0,0]=4 2111 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,1,0,0,0,0|3,0,0]=4 2112 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,1,0,0,0,0|3,0,0]=4 2113 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,0,0,0,0|3,0,0]=4 2114 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,0,0,0,0|3,0,0]=4 2115 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,1,0,0,0,0|3,0,0]=4 2116 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,1,0,0,0,0|3,0,0]=4 2117 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,1,0,0,0,0|3,0,0]=4 2118 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,1,0,0,0,0|3,0,0]=4 2119 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,1,0,0,0,0|3,0,0]=4 2120 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,1,0,0,0,0|3,0,0]=4 2121 B10R0.4 CN(C)CCCCSCC=O 62a_200015260668_100000690147 [0,1,0,0,0,0|3,0,0]=4 2122 B10R0.4 CN(C)CCSCCCC=O 62a_200011292268_100000755713 [0,1,0,0,0,0|3,0,0]=4 2123 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,1,0,0,0,0|3,0,0]=4 2124 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,1,0,0,0,0|3,0,0]=4 2125 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,0,0,0,0|1,0,0]=2 2126 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,0,0,0,0|1,0,0]=2 2127 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,0,0,0,0|2,0,0]=3 2128 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,0,0,0,0|2,0,0]=3 2129 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,0,0,0,0|2,0,0]=3 2130 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,1,0,0,0,0|3,0,0]=4 2131 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,1,0,0,0,0|3,0,0]=4 2132 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,1,0,0,0,0|3,0,0]=4 2133 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,1,0,0,0,0|3,0,0]=4 2134 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,1,0,0,0,0|3,0,0]=4 2135 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|2,0,0]=3 2136 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,0,0,0,0|1,0,0]=2 2137 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,0,0,0,0|1,0,0]=2 2138 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,0,0,0,0|1,0,0]=2 2139 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,0,0,0,0|1,0,0]=2 2140 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,1,0,0,0,0|2,0,1]=4 2141 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,1,0,0,0,0|2,0,1]=4 2142 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,1,0,0,0,0|2,0,1]=4 2143 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,0,0,0,0|2,0,0]=3 2144 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,1,0,0,0,0|3,0,0]=4 2145 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,1,0,0,0,0|3,0,0]=4 2146 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,0,0,0,0|3,0,0]=4 2147 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,1,0,0,0,0|3,0,0]=4 2148 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,1,0,0,0,0|3,0,0]=4 2149 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,1,0,0,0,0|3,0,0]=4 2150 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,1,0,0,0,0|3,0,0]=4 2151 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,1,0,0,0,0|3,0,0]=4 2152 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,1,0,0,0,0|3,0,0]=4 2153 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,1,0,0,0,0|3,0,0]=4 2154 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,1,0,0,0,0|3,0,0]=4 2155 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,1,0,0,0,0|3,0,0]=4 2156 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,1,0,0,0,0|3,0,0]=4 2157 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,1,0,0,0,0|3,0,0]=4 2158 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,1,0,0,0,0|3,0,0]=4 2159 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,1,0,0,0,0|3,0,0]=4 2160 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,1,0,0,0,0|3,0,0]=4 2161 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,1,0,0,0,0|3,0,0]=4 2162 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,1,0,0,0,0|3,0,0]=4 2163 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,1,0,0,0,0|3,0,0]=4 2164 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,1,0,0,0,0|3,0,0]=4 2165 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,1,0,0,0,0|3,0,0]=4 2166 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,1,0,0,0,0|3,0,0]=4 2167 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,1,0,0,0,0|3,0,0]=4 2168 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,1,0,0,0,0|2,0,0]=3 2169 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,1,0,0,0,0|2,0,0]=3 2170 B10R0.4 COCCNCCNC(=O)N 2230a_100000209980_200000034859 [0,1,0,0,0,0|2,0,0]=3 2171 B10R0.4 COCCNCCNC(=O)N 34a_100020590234_100011201679 [0,1,0,0,0,0|2,0,0]=3 2172 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,0,0,0,0|3,0,0]=4 2173 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,0,0,0,0|3,0,0]=4 2174 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,0,0,0,0|3,0,0]=4 2175 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,0,0,0,0|3,0,0]=4 2176 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,1,0,0,0,0|3,0,0]=4 2177 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,1,0,0,0,0|2,0,0]=3 2178 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,1,0,0,0,0|2,0,0]=3 2179 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,1,0,0,0,0|2,0,0]=3 2180 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,1,0,0,0,0|2,0,0]=3 2181 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,1,0,0,0,0|2,0,0]=3 2182 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,1,0,0,0,0|2,0,0]=3 2183 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,1,0,0,0,0|3,0,0]=4 2184 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,1,0,0,0,0|3,0,0]=4 2185 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,1,0,0,0,0|3,0,0]=4 2186 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,1,0,0,0,0|3,0,0]=4 2187 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,0,0,0,0|3,0,0]=4 2188 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,0,0,0,0|3,0,0]=4 2189 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,1,0,0,0,0|3,0,0]=4 2190 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,1,0,0,0,0|3,0,0]=4 2191 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,1,0,0,0,0|2,0,0]=3 2192 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,1,0,0,0,0|2,0,0]=3 2193 B10R0.4 COCCSCCNC(=O)N 62a_100000233755_200000034859 [0,1,0,0,0,0|2,0,0]=3 2194 B10R0.4 COCCSCCNC(=O)N 62a_200000034859_100000233755 [0,1,0,0,0,0|2,0,0]=3 2195 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,1,0,0,0,0|3,0,0]=4 2196 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,1,0,0,0,0|3,0,0]=4 2197 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,1,0,0,0,0|3,0,0]=4 2198 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,1,0,0,0,0|3,0,0]=4 2199 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,1,0,0,0,0|3,0,0]=4 2200 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,1,0,0,0,0|3,0,0]=4 2201 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,1,0,0,0,0|3,0,0]=4 2202 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,1,0,0,0,0|3,0,0]=4 2203 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,1,0,0,0,0|3,0,0]=4 2204 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,1,0,0,0,0|3,0,0]=4 2205 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,0,0,0,0|2,0,0]=3 2206 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,0,0,0,0|2,0,0]=3 2207 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,1,0,0,0,0|3,0,0]=4 2208 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,1,0,0,0,0|3,0,0]=4 2209 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,1,0,0,0,0|3,0,0]=4 2210 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,1,0,0,0,0|3,0,0]=4 2211 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,1,0,0,0,0|3,0,0]=4 2212 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,1,0,0,0,0|3,0,0]=4 2213 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,1,0,0,0,0|3,0,0]=4 2214 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,1,0,0,0,0|3,0,0]=4 2215 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,1,0,0,0,0|3,0,0]=4 2216 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,1,0,0,0,0|2,0,0]=3 2217 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,1,0,0,0,0|2,0,0]=3 2218 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [0,1,0,0,0,0|2,0,0]=3 2219 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [0,1,0,0,0,0|2,0,0]=3 2220 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,0,0,0,0|3,0,0]=4 2221 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,0,0,0,0|3,0,0]=4 2222 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,0,0,0,0|3,0,0]=4 2223 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,0,0,0,0|3,0,0]=4 2224 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,1,0,0,0,0|3,0,0]=4 2225 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,1,0,0,0,0|3,0,0]=4 2226 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,1,0,0,0,0|2,0,0]=3 2227 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,1,0,0,0,0|2,0,0]=3 2228 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,1,0,0,0,0|2,0,0]=3 2229 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,1,0,0,0,0|2,0,0]=3 2230 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,1,0,0,0,0|3,0,0]=4 2231 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,1,0,0,0,0|3,0,0]=4 2232 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,1,0,0,0,0|3,0,0]=4 2233 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,1,0,0,0,0|3,0,0]=4 2234 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,1,0,0,0,0|3,0,0]=4 2235 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,1,0,0,0,0|3,0,0]=4 2236 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,1,0,0,0,0|3,0,0]=4 2237 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,0,0,0,0|3,0,0]=4 2238 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,0,0,0,0|3,0,0]=4 2239 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,1,0,0,0,0|3,0,0]=4 2240 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,1,0,0,0,0|3,0,0]=4 2241 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,1,0,0,0,0|2,0,0]=3 2242 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,1,0,0,0,0|2,0,0]=3 2243 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [0,1,0,0,0,0|2,0,0]=3 2244 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [0,1,0,0,0,0|2,0,0]=3 2245 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,1,0,0,0,0|3,0,0]=4 2246 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,1,0,0,0,0|3,0,0]=4 2247 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,1,0,0,0,0|3,0,0]=4 2248 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,1,0,0,0,0|3,0,0]=4 2249 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,1,0,0,0,0|3,0,0]=4 2250 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,1,0,0,0,0|2,0,0]=3 2251 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,1,0,0,0,0|3,0,0]=4 2252 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,1,0,0,0,0|2,0,0]=3 2253 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,1,0,0,0,0|3,0,0]=4 2254 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,1,0,0,0,0|3,0,0]=4 2255 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,1,0,0,0,0|3,0,0]=4 2256 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,1,0,0,0,0|3,0,0]=4 2257 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,1,0,0,0,0|3,0,0]=4 2258 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,1,0,0,0,0|3,0,0]=4 2259 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,1,0,0,0,0|2,0,0]=3 2260 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,1,0,0,0,0|2,0,0]=3 2261 B10R0.4 N#CCCSCCNC(=O)N 62a_100011215226_200000034859 [0,1,0,0,0,0|2,0,1]=4 2262 B10R0.4 N#CCCSCCNC(=O)N 62a_200000034859_100011215226 [0,1,0,0,0,0|2,0,1]=4 2263 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,1,0,0,0,0|3,0,0]=4 2264 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,1,0,0,0,0|3,0,0]=4 2265 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,1,0,0,0,0|3,0,0]=4 2266 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,1,0,0,0,0|3,0,0]=4 2267 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,1,0,0,0,0|3,0,0]=4 2268 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,1,0,0,0,0|3,0,0]=4 2269 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,1,0,0,0,0|3,0,0]=4 2270 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,1,0,0,0,0|3,0,0]=4 2271 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,1,0,0,0,0|3,0,0]=4 2272 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,1,0,0,0,0|3,0,0]=4 2273 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,1,0,0,0,0|3,0,0]=4 2274 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,1,0,0,0,0|3,0,0]=4 2275 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,1,0,0,0,0|3,0,0]=4 2276 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,1,0,0,0,0|3,0,0]=4 2277 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,1,0,0,0,0|3,0,0]=4 2278 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,1,0,0,0,0|3,0,0]=4 2279 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,1,0,0,0,0|3,0,0]=4 2280 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,1,0,0,0,0|3,0,0]=4 2281 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,1,0,0,0,0|3,0,0]=4 2282 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,1,0,0,0,0|3,0,0]=4 2283 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,1,0,0,0,0|3,0,0]=4 2284 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,1,0,0,0,0|3,0,0]=4 2285 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,1,0,0,0,0|3,0,0]=4 2286 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,1,0,0,0,0|3,0,0]=4 2287 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,1,0,0,0,0|3,0,0]=4 2288 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,1,0,0,0,0|3,0,0]=4 2289 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,1,0,0,0,0|3,0,0]=4 2290 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,1,0,0,0,0|3,0,0]=4 2291 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,1,0,0,0,0|3,0,0]=4 2292 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,1,0,0,0,0|3,0,0]=4 2293 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,1,0,0,0,0|3,0,0]=4 2294 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,1,0,0,0,0|3,0,0]=4 2295 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,1,0,0,0,0|3,0,0]=4 2296 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,1,0,0,0,0|3,0,0]=4 2297 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,1,0,0,0,0|3,0,0]=4 2298 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,1,0,0,0,0|3,0,0]=4 2299 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,1,0,0,0,0|3,0,0]=4 2300 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,1,0,0,0,0|3,0,0]=4 2301 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,1,0,0,0,0|3,0,0]=4 2302 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,1,0,0,0,0|3,0,0]=4 2303 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,1,0,0,0,0|3,0,0]=4 2304 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,1,0,0,0,0|3,0,0]=4 2305 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,1,0,0,0,0|3,0,0]=4 2306 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,1,0,0,0,0|3,0,0]=4 2307 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,1,0,0,0,0|3,0,0]=4 2308 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,1,0,0,0,0|3,0,0]=4 2309 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,1,0,0,0,0|3,0,0]=4 2310 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,1,0,0,0,0|3,0,0]=4 2311 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,1,0,0,0,0|3,0,0]=4 2312 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,1,0,0,0,0|3,0,0]=4 2313 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [0,1,0,0,0,0|2,0,0]=3 2314 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [0,1,0,0,0,0|2,0,0]=3 2315 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,1,0,0,0,0|2,0,0]=3 2316 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,1,0,0,0,0|2,0,0]=3 2317 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,1,0,0,0,0|2,0,0]=3 2318 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [0,1,0,0,0,0|2,0,0]=3 2319 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [0,1,0,0,0,0|2,0,0]=3 2320 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,1,0,0,0,0|2,0,0]=3 2321 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,1,0,0,0,0|2,0,0]=3 2322 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,1,0,0,0,0|3,0,0]=4 2323 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,1,0,0,0,0|3,0,0]=4 2324 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,1,0,0,0,0|3,0,0]=4 2325 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,1,0,0,0,0|3,0,0]=4 2326 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,1,0,0,0,0|3,0,0]=4 2327 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,1,0,0,0,0|3,0,0]=4 2328 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,1,0,0,0,0|3,0,0]=4 2329 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,1,0,0,0,0|3,0,0]=4 2330 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,1,0,0,0,0|3,0,0]=4 2331 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,1,0,0,0,0|3,0,0]=4 2332 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,1,0,0,0,0|3,0,0]=4 2333 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,1,0,0,0,0|3,0,0]=4 2334 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,1,0,0,0,0|3,0,0]=4 2335 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,1,0,0,0,0|3,0,0]=4 2336 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,1,0,0,0,0|3,0,0]=4 2337 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,1,0,0,0,0|3,0,0]=4 2338 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,0,0,0,0|3,0,0]=4 2339 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,1,0,0,0,0|3,0,0]=4 2340 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,1,0,0,0,0|3,0,0]=4 2341 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,1,0,0,0,0|3,0,0]=4 2342 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,1,0,0,0,0|3,0,0]=4 2343 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,1,0,0,0,0|3,0,0]=4 2344 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,1,0,0,0,0|3,0,0]=4 2345 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,1,0,0,0,0|3,0,0]=4 2346 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,1,0,0,0,0|3,0,0]=4 2347 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,1,0,0,0,0|3,0,0]=4 2348 B10R0.4 O=CCCCCSCC(F)F 62a_100000139335_100011934356 [0,1,0,0,0,0|3,0,0]=4 2349 B10R0.4 O=CCCCCSCC(F)F 62a_100011934356_100000139335 [0,1,0,0,0,0|3,0,0]=4 2350 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|2,0,0]=3 2351 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [0,1,0,0,0,0|2,0,1]=4 2352 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [0,1,0,0,0,0|2,0,1]=4 2353 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [0,1,0,0,0,0|2,0,1]=4 2354 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [0,1,0,0,0,0|2,0,1]=4 2355 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [0,1,0,0,0,0|2,0,1]=4 2356 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [0,1,0,0,0,0|2,0,1]=4 2357 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [0,1,0,0,0,0|2,0,1]=4 2358 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [0,1,0,0,0,0|2,0,1]=4 2359 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [0,1,0,0,0,0|2,0,1]=4 2360 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [0,1,0,0,0,0|2,0,1]=4 2361 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [0,1,0,0,0,0|2,0,1]=4 2362 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [0,1,0,0,0,0|2,0,1]=4 2363 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [0,1,0,0,0,0|1,0,2]=4 2364 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [0,1,0,0,0,0|2,0,1]=4 2365 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [0,1,0,0,0,0|2,0,1]=4 2366 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [0,1,0,0,0,0|2,0,1]=4 2367 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [0,1,0,0,0,0|2,0,1]=4 2368 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [0,1,0,0,0,0|2,0,1]=4 2369 B10R0.71 C#CCCCCCNCC=C 2230a_100020586998_100012094781 [0,1,0,0,0,0|1,0,2]=4 2370 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [0,1,0,0,0,0|1,0,2]=4 2371 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [0,1,0,0,0,0|1,0,2]=4 2372 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [0,1,0,0,0,0|2,0,1]=4 2373 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [0,1,0,0,0,0|2,0,1]=4 2374 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [0,1,0,0,0,0|2,0,1]=4 2375 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [0,1,0,0,0,0|1,0,2]=4 2376 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [0,1,0,0,0,0|1,0,2]=4 2377 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [0,1,0,0,0,0|2,0,1]=4 2378 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [0,1,0,0,0,0|2,0,1]=4 2379 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [0,1,0,0,0,0|2,0,1]=4 2380 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [0,1,0,0,0,0|2,0,1]=4 2381 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [0,1,0,0,0,0|2,0,1]=4 2382 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [0,1,0,0,0,0|2,0,1]=4 2383 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [0,1,0,0,0,0|2,0,1]=4 2384 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [0,1,0,0,0,0|2,0,1]=4 2385 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [0,1,0,0,0,0|2,0,1]=4 2386 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [0,1,0,0,0,0|2,0,1]=4 2387 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [0,1,0,0,0,0|2,0,1]=4 2388 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [0,1,0,0,0,0|2,0,1]=4 2389 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [0,1,0,0,0,0|2,0,1]=4 2390 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [0,1,0,0,0,0|2,0,1]=4 2391 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [0,1,0,0,0,0|1,0,2]=4 2392 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [0,1,0,0,0,0|2,0,1]=4 2393 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [0,1,0,0,0,0|2,0,1]=4 2394 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [0,1,0,0,0,0|2,0,1]=4 2395 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [0,1,0,0,0,0|2,0,1]=4 2396 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [0,1,0,0,0,0|1,0,2]=4 2397 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [0,1,0,0,0,0|1,0,2]=4 2398 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [0,1,0,0,0,0|2,0,1]=4 2399 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [0,1,0,0,0,0|2,0,1]=4 2400 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [0,1,0,0,0,0|2,0,1]=4 2401 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [0,1,0,0,0,0|2,0,1]=4 2402 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,1,0,0,0,0|2,0,1]=4 2403 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,1,0,0,0,0|2,0,1]=4 2404 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,1,0,0,0,0|2,0,1]=4 2405 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [0,1,0,0,0,0|1,0,2]=4 2406 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [0,1,0,0,0,0|1,0,2]=4 2407 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [0,1,0,0,0,0|2,0,1]=4 2408 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [0,1,0,0,0,0|2,0,1]=4 2409 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [0,1,0,0,0,0|1,0,1]=3 2410 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [0,1,0,0,0,0|1,0,1]=3 2411 B10R0.71 C#CCNCCCCCCF 34a_100000212058_100015922095 [0,1,0,0,0,0|2,0,1]=4 2412 B10R0.71 C#CCNCCCCCCO 2230a_100000686447_100000038162 [0,1,0,0,0,0|2,0,1]=4 2413 B10R0.71 C#CCNCCCCCCO 34a_100000212058_100000766143 [0,1,0,0,0,0|2,0,1]=4 2414 B10R0.71 C#CCNCCCCCCO 34a_100000686447_100000184674 [0,1,0,0,0,0|2,0,1]=4 2415 B10R0.71 C#CCNCCCCCOC 2230a_100000747528_100000038162 [0,1,0,0,0,0|2,0,1]=4 2416 B10R0.71 C#CCNCCCCCOC 34a_100000747528_100000184674 [0,1,0,0,0,0|2,0,1]=4 2417 B10R0.71 C#CCNCCCOCCC 2230a_100011217757_100000038162 [0,1,0,0,0,0|2,0,1]=4 2418 B10R0.71 C#CCNCCCOCCC 34a_100011217757_100000184674 [0,1,0,0,0,0|2,0,1]=4 2419 B10R0.71 C#CCNCCOCCCC 34a_100000212058_100000743108 [0,1,0,0,0,0|2,0,1]=4 2420 B10R0.71 C#CCNCCSCCCC 2230a_100025743550_100000038162 [0,1,0,0,0,0|2,0,1]=4 2421 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [0,1,0,0,0,0|2,0,1]=4 2422 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [0,1,0,0,0,0|2,0,1]=4 2423 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [0,1,0,0,0,0|2,0,1]=4 2424 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [0,1,0,0,0,0|1,0,2]=4 2425 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [0,1,0,0,0,0|2,0,1]=4 2426 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,1,0,0,0,0|2,0,0]=3 2427 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,1,0,0,0,0|3,0,0]=4 2428 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,1,0,0,0,0|3,0,0]=4 2429 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [0,1,0,0,0,0|3,0,0]=4 2430 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [0,1,0,0,0,0|3,0,0]=4 2431 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [0,1,0,0,0,0|3,0,0]=4 2432 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [0,1,0,0,0,0|3,0,0]=4 2433 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [0,1,0,0,0,0|3,0,0]=4 2434 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [0,1,0,0,0,0|3,0,0]=4 2435 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [0,1,0,0,0,0|3,0,0]=4 2436 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [0,1,0,0,0,0|3,0,0]=4 2437 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,1,0,0,0,0|2,0,0]=3 2438 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,1,0,0,0,0|2,0,0]=3 2439 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,1,0,0,0,0|2,0,0]=3 2440 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [0,1,0,0,0,0|3,0,0]=4 2441 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [0,1,0,0,0,0|3,0,0]=4 2442 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [0,1,0,0,0,0|3,0,0]=4 2443 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [0,1,0,0,0,0|3,0,0]=4 2444 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [0,1,0,0,0,0|3,0,0]=4 2445 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [0,1,0,0,0,0|3,0,0]=4 2446 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,1,0,0,0,0|3,0,0]=4 2447 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [0,1,0,0,0,0|3,0,0]=4 2448 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [0,1,0,0,0,0|3,0,0]=4 2449 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [0,1,0,0,0,0|3,0,0]=4 2450 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [0,1,0,0,0,0|3,0,0]=4 2451 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [0,1,0,0,0,0|3,0,0]=4 2452 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [0,1,0,0,0,0|3,0,0]=4 2453 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [0,1,0,0,0,0|3,0,0]=4 2454 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [0,1,0,0,0,0|3,0,0]=4 2455 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [0,1,0,0,0,0|3,0,0]=4 2456 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [0,1,0,0,0,0|3,0,0]=4 2457 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [0,1,0,0,0,0|3,0,0]=4 2458 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [0,1,0,0,0,0|3,0,0]=4 2459 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [0,1,0,0,0,0|3,0,0]=4 2460 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [0,1,0,0,0,0|3,0,0]=4 2461 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [0,1,0,0,0,0|3,0,0]=4 2462 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [0,1,0,0,0,0|1,0,2]=4 2463 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [0,1,0,0,0,0|1,0,2]=4 2464 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,1,0,0,0,0|2,0,0]=3 2465 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,1,0,0,0,0|2,0,0]=3 2466 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [0,1,0,0,0,0|3,0,0]=4 2467 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [0,1,0,0,0,0|3,0,0]=4 2468 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [0,1,0,0,0,0|3,0,0]=4 2469 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [0,1,0,0,0,0|3,0,0]=4 2470 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [0,1,0,0,0,0|3,0,0]=4 2471 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [0,1,0,0,0,0|3,0,0]=4 2472 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [0,1,0,0,0,0|3,0,0]=4 2473 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [0,1,0,0,0,0|3,0,0]=4 2474 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [0,1,0,0,0,0|3,0,0]=4 2475 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [0,1,0,0,0,0|3,0,0]=4 2476 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [0,1,0,0,0,0|3,0,0]=4 2477 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [0,1,0,0,0,0|3,0,0]=4 2478 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,1,0,0,0,0|2,0,0]=3 2479 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,1,0,0,0,0|2,0,0]=3 2480 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,1,0,0,0,0|2,0,0]=3 2481 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,1,0,0,0,0|2,0,0]=3 2482 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,1,0,0,0,0|2,0,0]=3 2483 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,1,0,0,0,0|2,0,0]=3 2484 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,1,0,0,0,0|2,0,0]=3 2485 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,1,0,0,0,0|2,0,0]=3 2486 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,1,0,0,0,0|2,0,0]=3 2487 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,1,0,0,0,0|2,0,0]=3 2488 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,1,0,0,0,0|2,0,0]=3 2489 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,1,0,0,0,0|2,0,0]=3 2490 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,1,0,0,0,0|2,0,0]=3 2491 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,1,0,0,0,0|2,0,0]=3 2492 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,1,0,0,0,0|2,0,0]=3 2493 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,1,0,0,0,0|2,0,0]=3 2494 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [0,1,0,0,0,0|3,0,0]=4 2495 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [0,1,0,0,0,0|3,0,0]=4 2496 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,1,0,0,0,0|2,0,0]=3 2497 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,1,0,0,0,0|2,0,0]=3 2498 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [0,1,0,0,0,0|3,0,0]=4 2499 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [0,1,0,0,0,0|3,0,0]=4 2500 B10R0.71 C=CCCCCCNCC=C 2230a_100020586998_100000700193 [0,1,0,0,0,0|1,0,2]=4 2501 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [0,1,0,0,0,0|3,0,0]=4 2502 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,1,0,0,0,0|3,0,0]=4 2503 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,1,0,0,0,0|3,0,0]=4 2504 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [0,1,0,0,0,0|1,0,2]=4 2505 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [0,1,0,0,0,0|1,0,2]=4 2506 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [0,1,0,0,0,0|3,0,0]=4 2507 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,1,0,0,0,0|2,0,0]=3 2508 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,1,0,0,0,0|2,0,0]=3 2509 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,1,0,0,0,0|2,0,0]=3 2510 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [0,1,0,0,0,0|3,0,0]=4 2511 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [0,1,0,0,0,0|3,0,0]=4 2512 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [0,1,0,0,0,0|3,0,0]=4 2513 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,1,0,0,0,0|3,0,0]=4 2514 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,1,0,0,0,0|3,0,0]=4 2515 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [0,1,0,0,0,0|3,0,0]=4 2516 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [0,1,0,0,0,0|1,0,2]=4 2517 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [0,1,0,0,0,0|1,0,2]=4 2518 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,1,0,0,0,0|2,0,0]=3 2519 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,1,0,0,0,0|2,0,0]=3 2520 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [0,1,0,0,0,0|3,0,0]=4 2521 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [0,1,0,0,0,0|3,0,0]=4 2522 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,1,0,0,0,0|3,0,0]=4 2523 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,1,0,0,0,0|3,0,0]=4 2524 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [0,1,0,0,0,0|3,0,0]=4 2525 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [0,1,0,0,0,0|3,0,0]=4 2526 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [0,1,0,0,0,0|3,0,0]=4 2527 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [0,1,0,0,0,0|3,0,0]=4 2528 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [0,1,0,0,0,0|2,0,0]=3 2529 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [0,1,0,0,0,0|2,0,0]=3 2530 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [0,1,0,0,0,0|2,0,0]=3 2531 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [0,1,0,0,0,0|2,0,0]=3 2532 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [0,1,0,0,0,0|3,0,0]=4 2533 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [0,1,0,0,0,0|3,0,0]=4 2534 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [0,1,0,0,0,0|3,0,0]=4 2535 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [0,1,0,0,0,0|3,0,0]=4 2536 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,1,0,0,0,0|3,0,0]=4 2537 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,1,0,0,0,0|3,0,0]=4 2538 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,1,0,0,0,0|3,0,0]=4 2539 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,1,0,0,0,0|3,0,0]=4 2540 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,1,0,0,0,0|3,0,0]=4 2541 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,1,0,0,0,0|3,0,0]=4 2542 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,1,0,0,0,0|3,0,0]=4 2543 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,1,0,0,0,0|3,0,0]=4 2544 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [0,1,0,0,0,0|3,0,0]=4 2545 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,1,0,0,0,0|2,0,0]=3 2546 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,1,0,0,0,0|2,0,0]=3 2547 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,1,0,0,0,0|2,0,0]=3 2548 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,1,0,0,0,0|2,0,0]=3 2549 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [0,1,0,0,0,0|3,0,0]=4 2550 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [0,1,0,0,0,0|3,0,0]=4 2551 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [0,1,0,0,0,0|3,0,0]=4 2552 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [0,1,0,0,0,0|3,0,0]=4 2553 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [0,1,0,0,0,0|3,0,0]=4 2554 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,1,0,0,0,0|3,0,0]=4 2555 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,1,0,0,0,0|3,0,0]=4 2556 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,1,0,0,0,0|3,0,0]=4 2557 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,1,0,0,0,0|3,0,0]=4 2558 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,1,0,0,0,0|3,0,0]=4 2559 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,1,0,0,0,0|3,0,0]=4 2560 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,1,0,0,0,0|3,0,0]=4 2561 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,1,0,0,0,0|3,0,0]=4 2562 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,1,0,0,0,0|3,0,0]=4 2563 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [0,1,0,0,0,0|2,0,0]=3 2564 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [0,1,0,0,0,0|2,0,0]=3 2565 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [0,1,0,0,0,0|3,0,0]=4 2566 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [0,1,0,0,0,0|3,0,0]=4 2567 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,1,0,0,0,0|3,0,0]=4 2568 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,1,0,0,0,0|3,0,0]=4 2569 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,1,0,0,0,0|3,0,0]=4 2570 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,1,0,0,0,0|3,0,0]=4 2571 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,1,0,0,0,0|3,0,0]=4 2572 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,1,0,0,0,0|3,0,0]=4 2573 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [0,1,0,0,0,0|3,0,0]=4 2574 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [0,1,0,0,0,0|3,0,0]=4 2575 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [0,1,0,0,0,0|1,0,2]=4 2576 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,1,0,0,0,0|2,0,0]=3 2577 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,1,0,0,0,0|2,0,0]=3 2578 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,1,0,0,0,0|2,0,0]=3 2579 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [0,1,0,0,0,0|3,0,0]=4 2580 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [0,1,0,0,0,0|3,0,0]=4 2581 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [0,1,0,0,0,0|3,0,0]=4 2582 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [0,1,0,0,0,0|3,0,0]=4 2583 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [0,1,0,0,0,0|3,0,0]=4 2584 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [0,1,0,0,0,0|3,0,0]=4 2585 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [0,1,0,0,0,0|3,0,0]=4 2586 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [0,1,0,0,0,0|3,0,0]=4 2587 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [0,1,0,0,0,0|3,0,0]=4 2588 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [0,1,0,0,0,0|3,0,0]=4 2589 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [0,1,0,0,0,0|3,0,0]=4 2590 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [0,1,0,0,0,0|3,0,0]=4 2591 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [0,1,0,0,0,0|3,0,0]=4 2592 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [0,1,0,0,0,0|3,0,0]=4 2593 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [0,1,0,0,0,0|3,0,0]=4 2594 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [0,1,0,0,0,0|3,0,0]=4 2595 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [0,1,0,0,0,0|3,0,0]=4 2596 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [0,1,0,0,0,0|1,0,2]=4 2597 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [0,1,0,0,0,0|3,0,0]=4 2598 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,1,0,0,0,0|2,0,0]=3 2599 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,1,0,0,0,0|2,0,0]=3 2600 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,1,0,0,0,0|2,0,0]=3 2601 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,1,0,0,0,0|2,0,0]=3 2602 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [0,1,0,0,0,0|3,0,0]=4 2603 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [0,1,0,0,0,0|3,0,0]=4 2604 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [0,1,0,0,0,0|3,0,0]=4 2605 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [0,1,0,0,0,0|3,0,0]=4 2606 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [0,1,0,0,0,0|3,0,0]=4 2607 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [0,1,0,0,0,0|3,0,0]=4 2608 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [0,1,0,0,0,0|3,0,0]=4 2609 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [0,1,0,0,0,0|3,0,0]=4 2610 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [0,1,0,0,0,0|3,0,0]=4 2611 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [0,1,0,0,0,0|3,0,0]=4 2612 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [0,1,0,0,0,0|3,0,0]=4 2613 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [0,1,0,0,0,0|3,0,0]=4 2614 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [0,1,0,0,0,0|3,0,0]=4 2615 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [0,1,0,0,0,0|3,0,0]=4 2616 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [0,1,0,0,0,0|3,0,0]=4 2617 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [0,1,0,0,0,0|3,0,0]=4 2618 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,1,0,0,0,0|3,0,0]=4 2619 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,1,0,0,0,0|3,0,0]=4 2620 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,1,0,0,0,0|3,0,0]=4 2621 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,1,0,0,0,0|3,0,0]=4 2622 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [0,1,0,0,0,0|3,0,0]=4 2623 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [0,1,0,0,0,0|3,0,0]=4 2624 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [0,1,0,0,0,0|3,0,0]=4 2625 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [0,1,0,0,0,0|3,0,0]=4 2626 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [0,1,0,0,0,0|1,0,2]=4 2627 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [0,1,0,0,0,0|1,0,2]=4 2628 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,1,0,0,0,0|2,0,0]=3 2629 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,1,0,0,0,0|2,0,0]=3 2630 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [0,1,0,0,0,0|3,0,0]=4 2631 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [0,1,0,0,0,0|3,0,0]=4 2632 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [0,1,0,0,0,0|3,0,0]=4 2633 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [0,1,0,0,0,0|3,0,0]=4 2634 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [0,1,0,0,0,0|3,0,0]=4 2635 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [0,1,0,0,0,0|3,0,0]=4 2636 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [0,1,0,0,0,0|3,0,0]=4 2637 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [0,1,0,0,0,0|3,0,0]=4 2638 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [0,1,0,0,0,0|3,0,0]=4 2639 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [0,1,0,0,0,0|3,0,0]=4 2640 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [0,1,0,0,0,0|1,0,2]=4 2641 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,1,0,0,0,0|2,0,0]=3 2642 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,1,0,0,0,0|2,0,0]=3 2643 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [0,1,0,0,0,0|3,0,0]=4 2644 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,1,0,0,0,0|3,0,0]=4 2645 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,1,0,0,0,0|3,0,0]=4 2646 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,1,0,0,0,0|3,0,0]=4 2647 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [0,1,0,0,0,0|3,0,0]=4 2648 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [0,1,0,0,0,0|3,0,0]=4 2649 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [0,1,0,0,0,0|3,0,0]=4 2650 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [0,1,0,0,0,0|3,0,0]=4 2651 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,1,0,0,0,0|3,0,0]=4 2652 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,1,0,0,0,0|3,0,0]=4 2653 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,1,0,0,0,0|3,0,0]=4 2654 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [0,1,0,0,0,0|3,0,0]=4 2655 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [0,1,0,0,0,0|3,0,0]=4 2656 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [0,1,0,0,0,0|3,0,0]=4 2657 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [0,1,0,0,0,0|3,0,0]=4 2658 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,1,0,0,0,0|2,0,0]=3 2659 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,1,0,0,0,0|2,0,0]=3 2660 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,1,0,0,0,0|2,0,0]=3 2661 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [0,1,0,0,0,0|3,0,0]=4 2662 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [0,1,0,0,0,0|3,0,0]=4 2663 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [0,1,0,0,0,0|3,0,0]=4 2664 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [0,1,0,0,0,0|3,0,0]=4 2665 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [0,1,0,0,0,0|3,0,0]=4 2666 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [0,1,0,0,0,0|3,0,0]=4 2667 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,1,0,0,0,0|3,0,0]=4 2668 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [0,1,0,0,0,0|3,0,0]=4 2669 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [0,1,0,0,0,0|3,0,0]=4 2670 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [0,1,0,0,0,0|3,0,0]=4 2671 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [0,1,0,0,0,0|3,0,0]=4 2672 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,1,0,0,0,0|3,0,0]=4 2673 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,1,0,0,0,0|3,0,0]=4 2674 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,1,0,0,0,0|3,0,0]=4 2675 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [0,1,0,0,0,0|3,0,0]=4 2676 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [0,1,0,0,0,0|3,0,0]=4 2677 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,1,0,0,0,0|3,0,0]=4 2678 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,1,0,0,0,0|3,0,0]=4 2679 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,1,0,0,0,0|3,0,0]=4 2680 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,1,0,0,0,0|3,0,0]=4 2681 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,1,0,0,0,0|3,0,0]=4 2682 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [0,1,0,0,0,0|3,0,0]=4 2683 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [0,1,0,0,0,0|1,0,2]=4 2684 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [0,1,0,0,0,0|1,0,2]=4 2685 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,1,0,0,0,0|2,0,0]=3 2686 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,1,0,0,0,0|2,0,0]=3 2687 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [0,1,0,0,0,0|3,0,0]=4 2688 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [0,1,0,0,0,0|3,0,0]=4 2689 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,1,0,0,0,0|3,0,0]=4 2690 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,1,0,0,0,0|3,0,0]=4 2691 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [0,1,0,0,0,0|3,0,0]=4 2692 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [0,1,0,0,0,0|3,0,0]=4 2693 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [0,1,0,0,0,0|3,0,0]=4 2694 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [0,1,0,0,0,0|3,0,0]=4 2695 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,1,0,0,0,0|3,0,0]=4 2696 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,1,0,0,0,0|3,0,0]=4 2697 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [0,1,0,0,0,0|3,0,0]=4 2698 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [0,1,0,0,0,0|3,0,0]=4 2699 B10R0.71 C=CCNCCCCCC#N 2230a_100020586998_100009813376 [0,1,0,0,0,0|2,0,1]=4 2700 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [0,1,0,0,0,0|1,0,2]=4 2701 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [0,1,0,0,0,0|1,0,0]=2 2702 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [0,1,0,0,0,0|1,0,0]=2 2703 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [0,1,0,0,0,0|2,0,0]=3 2704 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [0,1,0,0,0,0|2,0,0]=3 2705 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [0,1,0,0,0,0|2,0,0]=3 2706 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [0,1,0,0,0,0|2,0,0]=3 2707 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [0,1,0,0,0,0|2,0,0]=3 2708 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [0,1,0,0,0,0|2,0,0]=3 2709 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [0,1,0,0,0,0|2,0,0]=3 2710 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [0,1,0,0,0,0|2,0,0]=3 2711 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [0,1,0,0,0,0|2,0,0]=3 2712 B10R0.71 C=CCNCCOCCOC 2230a_100000745349_100000210623 [0,1,0,0,0,0|3,0,0]=4 2713 B10R0.71 C=CCNCCOCCOC 2230a_100020586998_100000695917 [0,1,0,0,0,0|3,0,0]=4 2714 B10R0.71 C=CCNCCOCCOC 34a_100000745349_100015514636 [0,1,0,0,0,0|3,0,0]=4 2715 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [0,1,0,0,0,0|2,0,0]=3 2716 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [0,1,0,0,0,0|3,0,0]=4 2717 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [0,1,0,0,0,0|3,0,0]=4 2718 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,1,0,0,0,0|2,0,0]=3 2719 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,1,0,0,0,0|2,0,0]=3 2720 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,1,0,0,0,0|2,0,0]=3 2721 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [0,1,0,0,0,0|3,0,0]=4 2722 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [0,1,0,0,0,0|3,0,0]=4 2723 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [0,1,0,0,0,0|3,0,0]=4 2724 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [0,1,0,0,0,0|3,0,0]=4 2725 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [0,1,0,0,0,0|3,0,0]=4 2726 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [0,1,0,0,0,0|3,0,0]=4 2727 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,1,0,0,0,0|3,0,0]=4 2728 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,1,0,0,0,0|3,0,0]=4 2729 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,1,0,0,0,0|3,0,0]=4 2730 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,1,0,0,0,0|3,0,0]=4 2731 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,1,0,0,0,0|3,0,0]=4 2732 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,1,0,0,0,0|3,0,0]=4 2733 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,1,0,0,0,0|3,0,0]=4 2734 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,1,0,0,0,0|3,0,0]=4 2735 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,1,0,0,0,0|3,0,0]=4 2736 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [0,1,0,0,0,0|1,0,2]=4 2737 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [0,1,0,0,0,0|1,0,2]=4 2738 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [0,1,0,0,0,0|2,0,0]=3 2739 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [0,1,0,0,0,0|2,0,0]=3 2740 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [0,1,0,0,0,0|3,0,0]=4 2741 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [0,1,0,0,0,0|3,0,0]=4 2742 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [0,1,0,0,0,0|3,0,0]=4 2743 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [0,1,0,0,0,0|3,0,0]=4 2744 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [0,1,0,0,0,0|3,0,0]=4 2745 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [0,1,0,0,0,0|3,0,0]=4 2746 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [0,1,0,0,0,0|2,0,0]=3 2747 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [0,1,0,0,0,0|2,0,0]=3 2748 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [0,1,0,0,0,0|3,0,0]=4 2749 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [0,1,0,0,0,0|3,0,0]=4 2750 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [0,1,0,0,0,0|3,0,0]=4 2751 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [0,1,0,0,0,0|3,0,0]=4 2752 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [0,1,0,0,0,0|3,0,0]=4 2753 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [0,1,0,0,0,0|2,0,0]=3 2754 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [0,1,0,0,0,0|2,0,0]=3 2755 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [0,1,0,0,0,0|3,0,0]=4 2756 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [0,1,0,0,0,0|3,0,0]=4 2757 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [0,1,0,0,0,0|3,0,0]=4 2758 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [0,1,0,0,0,0|3,0,0]=4 2759 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [0,1,0,0,0,0|3,0,0]=4 2760 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [0,1,0,0,0,0|3,0,0]=4 2761 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [0,1,0,0,0,0|3,0,0]=4 2762 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [0,1,0,0,0,0|3,0,0]=4 2763 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,1,0,0,0,0|2,0,0]=3 2764 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [0,1,0,0,0,0|3,0,0]=4 2765 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [0,1,0,0,0,0|3,0,0]=4 2766 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [0,1,0,0,0,0|3,0,0]=4 2767 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [0,1,0,0,0,0|3,0,0]=4 2768 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [0,1,0,0,0,0|3,0,0]=4 2769 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [0,1,0,0,0,0|3,0,0]=4 2770 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [0,1,0,0,0,0|3,0,0]=4 2771 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [0,1,0,0,0,0|3,0,0]=4 2772 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,1,0,0,0,0|2,0,0]=3 2773 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,1,0,0,0,0|2,0,0]=3 2774 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,1,0,0,0,0|2,0,0]=3 2775 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [0,1,0,0,0,0|3,0,0]=4 2776 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [0,1,0,0,0,0|3,0,0]=4 2777 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [0,1,0,0,0,0|3,0,0]=4 2778 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [0,1,0,0,0,0|3,0,0]=4 2779 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [0,1,0,0,0,0|3,0,0]=4 2780 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [0,1,0,0,0,0|3,0,0]=4 2781 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [0,1,0,0,0,0|3,0,0]=4 2782 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,1,0,0,0,0|3,0,0]=4 2783 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [0,1,0,0,0,0|3,0,0]=4 2784 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [0,1,0,0,0,0|3,0,0]=4 2785 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [0,1,0,0,0,0|3,0,0]=4 2786 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [0,1,0,0,0,0|3,0,0]=4 2787 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [0,1,0,0,0,0|3,0,0]=4 2788 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [0,1,0,0,0,0|3,0,0]=4 2789 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [0,1,0,0,0,0|3,0,0]=4 2790 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [0,1,0,0,0,0|3,0,0]=4 2791 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [0,1,0,0,0,0|3,0,0]=4 2792 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [0,1,0,0,0,0|3,0,0]=4 2793 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [0,1,0,0,0,0|3,0,0]=4 2794 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [0,1,0,0,0,0|3,0,0]=4 2795 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [0,1,0,0,0,0|3,0,0]=4 2796 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,1,0,0,0,0|2,0,0]=3 2797 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,1,0,0,0,0|2,0,0]=3 2798 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [0,1,0,0,0,0|3,0,0]=4 2799 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [0,1,0,0,0,0|3,0,0]=4 2800 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [0,1,0,0,0,0|3,0,0]=4 2801 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [0,1,0,0,0,0|3,0,0]=4 2802 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [0,1,0,0,0,0|3,0,0]=4 2803 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [0,1,0,0,0,0|3,0,0]=4 2804 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [0,1,0,0,0,0|3,0,0]=4 2805 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [0,1,0,0,0,0|3,0,0]=4 2806 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [0,1,0,0,0,0|3,0,0]=4 2807 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [0,1,0,0,0,0|3,0,0]=4 2808 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [0,1,0,0,0,0|2,0,1]=4 2809 B10R0.71 CC#CCNCCCCC=O 2230a_100000685387_100000139335 [0,1,0,0,0,0|1,0,2]=4 2810 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [0,1,0,0,0,0|2,0,1]=4 2811 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [0,1,0,0,0,0|2,0,1]=4 2812 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [0,1,0,0,0,0|2,0,1]=4 2813 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [0,1,0,0,0,0|2,0,1]=4 2814 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [0,1,0,0,0,0|2,0,1]=4 2815 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [0,1,0,0,0,0|2,0,1]=4 2816 B10R0.71 CC#CCSCCCCC=O 62a_100000139335_100000748600 [0,1,0,0,0,0|1,0,2]=4 2817 B10R0.71 CC#CCSCCCCC=O 62a_100000748600_100000139335 [0,1,0,0,0,0|1,0,2]=4 2818 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [0,1,0,0,0,0|2,0,1]=4 2819 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [0,1,0,0,0,0|2,0,1]=4 2820 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [0,1,0,0,0,0|1,0,2]=4 2821 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [0,1,0,0,0,0|1,0,2]=4 2822 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,1,0,0,0,0|3,0,0]=4 2823 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,1,0,0,0,0|3,0,0]=4 2824 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,1,0,0,0,0|3,0,0]=4 2825 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,1,0,0,0,0|3,0,0]=4 2826 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,1,0,0,0,0|3,0,0]=4 2827 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,1,0,0,0,0|3,0,0]=4 2828 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,1,0,0,0,0|3,0,0]=4 2829 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,1,0,0,0,0|3,0,0]=4 2830 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,1,0,0,0,0|3,0,0]=4 2831 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,1,0,0,0,0|3,0,0]=4 2832 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,1,0,0,0,0|3,0,0]=4 2833 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,1,0,0,0,0|3,0,0]=4 2834 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,1,0,0,0,0|3,0,0]=4 2835 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,1,0,0,0,0|3,0,0]=4 2836 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,1,0,0,0,0|3,0,0]=4 2837 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,1,0,0,0,0|3,0,0]=4 2838 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,1,0,0,0,0|3,0,0]=4 2839 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,1,0,0,0,0|3,0,0]=4 2840 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,1,0,0,0,0|3,0,0]=4 2841 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,1,0,0,0,0|3,0,0]=4 2842 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,1,0,0,0,0|3,0,0]=4 2843 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [0,1,0,0,0,0|1,0,2]=4 2844 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [0,1,0,0,0,0|1,0,2]=4 2845 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,1,0,0,0,0|3,0,0]=4 2846 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,1,0,0,0,0|3,0,0]=4 2847 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [0,1,0,0,0,0|2,0,1]=4 2848 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,1,0,0,0,0|2,0,0]=3 2849 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [0,1,0,0,0,0|3,0,0]=4 2850 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,1,0,0,0,0|3,0,0]=4 2851 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [0,1,0,0,0,0|3,0,0]=4 2852 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [0,1,0,0,0,0|3,0,0]=4 2853 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,1,0,0,0,0|2,0,0]=3 2854 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [0,1,0,0,0,0|3,0,0]=4 2855 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [0,1,0,0,0,0|3,0,0]=4 2856 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [0,1,0,0,0,0|3,0,0]=4 2857 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [0,1,0,0,0,0|3,0,0]=4 2858 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [0,1,0,0,0,0|3,0,0]=4 2859 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [0,1,0,0,0,0|3,0,0]=4 2860 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [0,1,0,0,0,0|3,0,0]=4 2861 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [0,1,0,0,0,0|3,0,0]=4 2862 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [0,1,0,0,0,0|3,0,0]=4 2863 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,1,0,0,0,0|2,0,0]=3 2864 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,1,0,0,0,0|2,0,0]=3 2865 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [0,1,0,0,0,0|3,0,0]=4 2866 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [0,1,0,0,0,0|3,0,0]=4 2867 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [0,1,0,0,0,0|3,0,0]=4 2868 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [0,1,0,0,0,0|3,0,0]=4 2869 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [0,1,0,0,0,0|3,0,0]=4 2870 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [0,1,0,0,0,0|3,0,0]=4 2871 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [0,1,0,0,0,0|3,0,0]=4 2872 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [0,1,0,0,0,0|3,0,0]=4 2873 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [0,1,0,0,0,0|3,0,0]=4 2874 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [0,1,0,0,0,0|3,0,0]=4 2875 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [0,1,0,0,0,0|3,0,0]=4 2876 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [0,1,0,0,0,0|3,0,0]=4 2877 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [0,1,0,0,0,0|3,0,0]=4 2878 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [0,1,0,0,0,0|3,0,0]=4 2879 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [0,1,0,0,0,0|3,0,0]=4 2880 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [0,1,0,0,0,0|3,0,0]=4 2881 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [0,1,0,0,0,0|1,0,2]=4 2882 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [0,1,0,0,0,0|1,0,2]=4 2883 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,1,0,0,0,0|2,0,0]=3 2884 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,1,0,0,0,0|2,0,0]=3 2885 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [0,1,0,0,0,0|3,0,0]=4 2886 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [0,1,0,0,0,0|3,0,0]=4 2887 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [0,1,0,0,0,0|3,0,0]=4 2888 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [0,1,0,0,0,0|3,0,0]=4 2889 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [0,1,0,0,0,0|3,0,0]=4 2890 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [0,1,0,0,0,0|3,0,0]=4 2891 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [0,1,0,0,0,0|3,0,0]=4 2892 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [0,1,0,0,0,0|3,0,0]=4 2893 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [0,1,0,0,0,0|3,0,0]=4 2894 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [0,1,0,0,0,0|3,0,0]=4 2895 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [0,1,0,0,0,0|3,0,0]=4 2896 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [0,1,0,0,0,0|3,0,0]=4 2897 B10R0.71 CCC#CCSCCCC=O 62a_100009813939_200011292268 [0,1,0,0,0,0|1,0,2]=4 2898 B10R0.71 CCC#CCSCCCC=O 62a_200011292268_100009813939 [0,1,0,0,0,0|1,0,2]=4 2899 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [0,1,0,0,0,0|1,0,2]=4 2900 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [0,1,0,0,0,0|1,0,2]=4 2901 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [0,1,0,0,0,0|1,0,2]=4 2902 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [0,1,0,0,0,0|1,0,2]=4 2903 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [0,1,0,0,0,0|1,0,2]=4 2904 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [0,1,0,0,0,0|1,0,2]=4 2905 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [0,1,0,0,0,0|1,0,2]=4 2906 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [0,1,0,0,0,0|1,0,2]=4 2907 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,1,0,0,0,0|2,0,1]=4 2908 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,1,0,0,0,0|2,0,1]=4 2909 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,1,0,0,0,0|2,0,1]=4 2910 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,1,0,0,0,0|2,0,1]=4 2911 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,1,0,0,0,0|2,0,1]=4 2912 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,1,0,0,0,0|2,0,1]=4 2913 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,1,0,0,0,0|2,0,1]=4 2914 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,1,0,0,0,0|1,0,2]=4 2915 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,1,0,0,0,0|1,0,2]=4 2916 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,1,0,0,0,0|1,0,2]=4 2917 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,1,0,0,0,0|1,0,2]=4 2918 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,1,0,0,0,0|1,0,2]=4 2919 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,1,0,0,0,0|1,1,1]=4 2920 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,1,0,0,0,0|1,1,1]=4 2921 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,1,0,0,0,0|1,0,1]=3 2922 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,1,0,0,0,0|1,0,1]=3 2923 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,1,0,0,0,0|1,0,1]=3 2924 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,1,0,0,0,0|1,0,1]=3 2925 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,1,0,0,0,0|2,0,1]=4 2926 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,1,0,0,0,0|2,0,1]=4 2927 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,1,0,0,0,0|2,0,1]=4 2928 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,1,0,0,0,0|2,0,1]=4 2929 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,1,0,0,0,0|2,0,1]=4 2930 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,1,0,0,0,0|2,0,1]=4 2931 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,1,0,0,0,0|2,0,1]=4 2932 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,1,0,0,0,0|2,0,1]=4 2933 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,1,0,0,0,0|2,0,1]=4 2934 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [0,1,0,0,0,0|1,0,1]=3 2935 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,1,0,0,0,0|0,0,0]=1 2936 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [0,1,0,0,0,0|1,0,1]=3 2937 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [0,1,0,0,0,0|1,0,1]=3 2938 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [0,1,0,0,0,0|1,0,1]=3 2939 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,1,0,0,0,0|0,0,2]=3 2940 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,1,0,0,0,0|0,0,2]=3 2941 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,1,0,0,0,0|0,0,2]=3 2942 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,1,0,0,0,0|0,0,2]=3 2943 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [0,1,0,0,0,0|0,1,1]=3 2944 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [0,1,0,0,0,0|2,0,1]=4 2945 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,1,0,0,0,0|1,0,0]=2 2946 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,1,0,0,0,0|1,0,0]=2 2947 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,1,0,0,0,0|2,0,1]=4 2948 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,1,0,0,0,0|2,0,1]=4 2949 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,1,0,0,0,0|2,0,1]=4 2950 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,1,0,0,0,0|2,0,1]=4 2951 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,1,0,0,0,0|2,0,1]=4 2952 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,1,0,0,0,0|2,0,1]=4 2953 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,1,0,0,0,0|2,0,1]=4 2954 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,1,0,0,0,0|1,0,2]=4 2955 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,1,0,0,0,0|1,0,2]=4 2956 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,1,0,0,0,0|1,1,1]=4 2957 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [0,1,0,0,0,0|2,0,1]=4 2958 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [0,1,0,0,0,0|2,0,1]=4 2959 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,1,0,0,0,0|1,0,0]=2 2960 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,1,0,0,0,0|1,0,0]=2 2961 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [0,1,0,0,0,0|2,0,1]=4 2962 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [0,1,0,0,0,0|2,0,1]=4 2963 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [0,1,0,0,0,0|2,0,1]=4 2964 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [0,1,0,0,0,0|2,0,1]=4 2965 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,1,0,0,0,0|1,0,2]=4 2966 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,1,0,0,0,0|1,0,2]=4 2967 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,1,0,0,0,0|1,0,2]=4 2968 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,1,0,0,0,0|1,0,2]=4 2969 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [0,1,0,0,0,0|1,1,1]=4 2970 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [0,1,0,0,0,0|1,1,1]=4 2971 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [0,1,0,0,0,0|2,0,1]=4 2972 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [0,1,0,0,0,0|2,0,1]=4 2973 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [0,1,0,0,0,0|2,0,1]=4 2974 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [0,1,0,0,0,0|2,0,1]=4 2975 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [0,1,0,0,0,0|2,0,1]=4 2976 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [0,1,0,0,0,0|2,0,1]=4 2977 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [0,1,0,0,0,0|2,0,1]=4 2978 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,1,0,0,0,0|1,0,2]=4 2979 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,1,0,0,0,0|3,0,0]=4 2980 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,1,0,0,0,0|3,0,0]=4 2981 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,1,0,0,0,0|3,0,0]=4 2982 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,1,0,0,0,0|3,0,0]=4 2983 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,1,0,0,0,0|2,0,1]=4 2984 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,1,0,0,0,0|2,0,1]=4 2985 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,1,0,0,0,0|2,0,1]=4 2986 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,1,0,0,0,0|2,0,1]=4 2987 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,1,0,0,0,0|2,0,1]=4 2988 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,1,0,0,0,0|2,0,1]=4 2989 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,1,0,0,0,0|2,0,1]=4 2990 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,1,0,0,0,0|2,0,1]=4 2991 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,1,0,0,0,0|2,0,1]=4 2992 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,1,0,0,0,0|2,0,1]=4 2993 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,1,0,0,0,0|2,0,1]=4 2994 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,1,0,0,0,0|1,0,2]=4 2995 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,1,0,0,0,0|1,0,2]=4 2996 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,1,0,0,0,0|3,0,0]=4 2997 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,1,0,0,0,0|3,0,0]=4 2998 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,1,0,0,0,0|3,0,0]=4 2999 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,1,0,0,0,0|3,0,0]=4 3000 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,1,0,0,0,0|3,0,0]=4 3001 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,1,0,0,0,0|3,0,0]=4 3002 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,1,0,0,0,0|3,0,0]=4 3003 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,1,0,0,0,0|3,0,0]=4 3004 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,1,0,0,0,0|3,0,0]=4 3005 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,1,0,0,0,0|3,0,0]=4 3006 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,1,0,0,0,0|3,0,0]=4 3007 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,1,0,0,0,0|3,0,0]=4 3008 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [0,1,0,0,0,0|2,0,1]=4 3009 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [0,1,0,0,0,0|2,0,1]=4 3010 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [0,1,0,0,0,0|2,0,1]=4 3011 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [0,1,0,0,0,0|2,0,1]=4 3012 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [0,1,0,0,0,0|2,0,1]=4 3013 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [0,1,0,0,0,0|2,0,1]=4 3014 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,1,0,0,0,0|1,0,2]=4 3015 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,1,0,0,0,0|1,0,2]=4 3016 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,1,0,0,0,0|3,0,0]=4 3017 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,1,0,0,0,0|3,0,0]=4 3018 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,1,0,0,0,0|3,0,0]=4 3019 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,1,0,0,0,0|3,0,0]=4 3020 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,1,0,0,0,0|2,0,1]=4 3021 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,1,0,0,0,0|2,0,1]=4 3022 B10R0.71 CCCCCCSCSC#N 62a_100000210314_100000211825 [0,1,0,0,0,0|2,0,1]=4 3023 B10R0.71 CCCCCCSCSC#N 62a_100000211825_100000210757 [0,1,0,0,0,0|2,0,1]=4 3024 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [0,1,0,0,0,0|2,0,1]=4 3025 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,1,0,0,0,0|1,0,0]=2 3026 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [0,1,0,0,0,0|2,0,1]=4 3027 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [0,1,0,0,0,0|2,0,1]=4 3028 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,1,0,0,0,0|1,0,2]=4 3029 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,1,0,0,0,0|1,0,2]=4 3030 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,1,0,0,0,0|1,0,2]=4 3031 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,1,0,0,0,0|3,0,0]=4 3032 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,1,0,0,0,0|3,0,0]=4 3033 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [0,1,0,0,0,0|3,0,0]=4 3034 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,1,0,0,0,0|2,0,1]=4 3035 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,1,0,0,0,0|2,0,1]=4 3036 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,1,0,0,0,0|2,0,1]=4 3037 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,1,0,0,0,0|2,0,1]=4 3038 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,1,0,0,0,0|2,0,1]=4 3039 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [0,1,0,0,0,0|2,0,1]=4 3040 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [0,1,0,0,0,0|2,0,1]=4 3041 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [0,1,0,0,0,0|2,0,1]=4 3042 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,1,0,0,0,0|1,0,0]=2 3043 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,1,0,0,0,0|2,0,1]=4 3044 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,1,0,0,0,0|2,0,1]=4 3045 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,1,0,0,0,0|2,0,1]=4 3046 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,1,0,0,0,0|2,0,1]=4 3047 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,1,0,0,0,0|2,0,1]=4 3048 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,1,0,0,0,0|2,0,1]=4 3049 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,1,0,0,0,0|2,0,1]=4 3050 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,1,0,0,0,0|2,0,1]=4 3051 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,1,0,0,0,0|2,0,1]=4 3052 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,1,0,0,0,0|2,0,1]=4 3053 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,1,0,0,0,0|2,0,1]=4 3054 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,1,0,0,0,0|1,0,2]=4 3055 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,1,0,0,0,0|1,0,2]=4 3056 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [0,1,0,0,0,0|3,0,0]=4 3057 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,1,0,0,0,0|3,0,0]=4 3058 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,1,0,0,0,0|3,0,0]=4 3059 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,1,0,0,0,0|3,0,0]=4 3060 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,1,0,0,0,0|3,0,0]=4 3061 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,1,0,0,0,0|3,0,0]=4 3062 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,1,0,0,0,0|2,0,1]=4 3063 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,1,0,0,0,0|2,0,1]=4 3064 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,1,0,0,0,0|2,0,1]=4 3065 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,1,0,0,0,0|2,0,1]=4 3066 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,1,0,0,0,0|2,0,1]=4 3067 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,1,0,0,0,0|2,0,1]=4 3068 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,1,0,0,0,0|2,0,1]=4 3069 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,1,0,0,0,0|2,0,1]=4 3070 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,1,0,0,0,0|2,0,1]=4 3071 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,1,0,0,0,0|2,0,1]=4 3072 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,1,0,0,0,0|2,0,1]=4 3073 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,1,0,0,0,0|2,0,1]=4 3074 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [0,1,0,0,0,0|2,0,1]=4 3075 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [0,1,0,0,0,0|2,0,1]=4 3076 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,1,0,0,0,0|1,0,0]=2 3077 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,1,0,0,0,0|1,0,0]=2 3078 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [0,1,0,0,0,0|2,0,1]=4 3079 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [0,1,0,0,0,0|2,0,1]=4 3080 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [0,1,0,0,0,0|2,0,1]=4 3081 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,1,0,0,0,0|1,0,2]=4 3082 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,1,0,0,0,0|1,0,2]=4 3083 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,1,0,0,0,0|3,0,0]=4 3084 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,1,0,0,0,0|3,0,0]=4 3085 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,1,0,0,0,0|2,0,1]=4 3086 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,1,0,0,0,0|2,0,1]=4 3087 B10R0.71 CCCCCSCCSC#N 62a_100000034367_100000210326 [0,1,0,0,0,0|2,0,1]=4 3088 B10R0.71 CCCCCSCCSC#N 62a_100000210326_100000034367 [0,1,0,0,0,0|2,0,1]=4 3089 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [0,1,0,0,0,0|2,0,1]=4 3090 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [0,1,0,0,0,0|2,0,1]=4 3091 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [0,1,0,0,0,0|2,0,1]=4 3092 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [0,1,0,0,0,0|2,0,1]=4 3093 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,1,0,0,0,0|1,0,0]=2 3094 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,1,0,0,0,0|1,0,0]=2 3095 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [0,1,0,0,0,0|2,0,1]=4 3096 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [0,1,0,0,0,0|2,0,1]=4 3097 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,1,0,0,0,0|1,0,2]=4 3098 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,1,0,0,0,0|1,0,2]=4 3099 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,1,0,0,0,0|1,0,2]=4 3100 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,1,0,0,0,0|1,0,2]=4 3101 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,1,0,0,0,0|3,0,0]=4 3102 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,1,0,0,0,0|3,0,0]=4 3103 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,1,0,0,0,0|3,0,0]=4 3104 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,1,0,0,0,0|3,0,0]=4 3105 B10R0.71 CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210211 [0,1,0,0,0,0|2,0,1]=4 3106 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,1,0,0,0,0|2,0,1]=4 3107 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,1,0,0,0,0|2,0,1]=4 3108 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,1,0,0,0,0|2,0,1]=4 3109 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,1,0,0,0,0|2,0,1]=4 3110 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [0,1,0,0,0,0|2,0,1]=4 3111 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,1,0,0,0,0|1,0,0]=2 3112 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,1,0,0,0,0|2,0,1]=4 3113 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,1,0,0,0,0|2,0,1]=4 3114 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,1,0,0,0,0|2,0,1]=4 3115 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,1,0,0,0,0|2,0,1]=4 3116 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,1,0,0,0,0|2,0,1]=4 3117 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,1,0,0,0,0|2,0,1]=4 3118 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,1,0,0,0,0|2,0,1]=4 3119 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,1,0,0,0,0|2,0,1]=4 3120 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,1,0,0,0,0|2,0,1]=4 3121 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,1,0,0,0,0|1,0,2]=4 3122 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,1,0,0,0,0|1,0,2]=4 3123 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,1,0,0,0,0|3,0,0]=4 3124 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,1,0,0,0,0|3,0,0]=4 3125 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,1,0,0,0,0|3,0,0]=4 3126 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,1,0,0,0,0|3,0,0]=4 3127 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,1,0,0,0,0|3,0,0]=4 3128 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,1,0,0,0,0|3,0,0]=4 3129 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,1,0,0,0,0|3,0,0]=4 3130 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,1,0,0,0,0|3,0,0]=4 3131 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,1,0,0,0,0|3,0,0]=4 3132 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,1,0,0,0,0|1,0,1]=3 3133 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,1,0,0,0,0|1,0,1]=3 3134 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [0,1,0,0,0,0|1,0,1]=3 3135 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,1,0,0,0,0|2,0,1]=4 3136 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,1,0,0,0,0|2,0,1]=4 3137 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,1,0,0,0,0|2,0,1]=4 3138 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,1,0,0,0,0|2,0,1]=4 3139 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,1,0,0,0,0|2,0,1]=4 3140 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,1,0,0,0,0|2,0,1]=4 3141 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [0,1,0,0,0,0|2,0,1]=4 3142 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [0,1,0,0,0,0|2,0,1]=4 3143 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,1,0,0,0,0|2,0,1]=4 3144 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,1,0,0,0,0|2,0,1]=4 3145 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,1,0,0,0,0|2,0,1]=4 3146 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,1,0,0,0,0|1,0,2]=4 3147 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,1,0,0,0,0|1,0,2]=4 3148 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,1,0,0,0,0|2,0,0]=3 3149 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,1,0,0,0,0|2,0,0]=3 3150 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,1,0,0,0,0|2,0,0]=3 3151 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,1,0,0,0,0|2,0,0]=3 3152 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [0,1,0,0,0,0|2,0,1]=4 3153 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [0,1,0,0,0,0|2,0,1]=4 3154 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,1,0,0,0,0|1,0,0]=2 3155 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,1,0,0,0,0|1,0,0]=2 3156 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [0,1,0,0,0,0|2,0,1]=4 3157 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [0,1,0,0,0,0|2,0,1]=4 3158 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,1,0,0,0,0|1,0,2]=4 3159 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,1,0,0,0,0|1,0,2]=4 3160 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,1,0,0,0,0|3,0,0]=4 3161 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,1,0,0,0,0|3,0,0]=4 3162 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,1,0,0,0,0|2,0,1]=4 3163 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,1,0,0,0,0|2,0,1]=4 3164 B10R0.71 CCCCSCCNCC#N 2230a_100025743550_100011215382 [0,1,0,0,0,0|2,0,1]=4 3165 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,1,0,0,0,0|1,0,0]=2 3166 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [0,1,0,0,0,0|2,0,1]=4 3167 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [0,1,0,0,0,0|2,0,1]=4 3168 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,1,0,0,0,0|1,0,2]=4 3169 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [0,1,0,0,0,0|1,0,2]=4 3170 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [0,1,0,0,0,0|1,1,1]=4 3171 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,1,0,0,0,0|2,0,0]=3 3172 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,1,0,0,0,0|2,0,0]=3 3173 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,1,0,0,0,0|1,0,2]=4 3174 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,1,0,0,0,0|1,0,2]=4 3175 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,1,0,0,0,0|2,0,1]=4 3176 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,1,0,0,0,0|2,0,1]=4 3177 B10R0.71 CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210303 [0,1,0,0,0,0|2,0,1]=4 3178 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,1,0,0,0,0|2,0,1]=4 3179 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,1,0,0,0,0|2,0,1]=4 3180 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,1,0,0,0,0|2,0,1]=4 3181 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,1,0,0,0,0|2,0,1]=4 3182 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,1,0,0,0,0|2,0,1]=4 3183 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,1,0,0,0,0|2,0,1]=4 3184 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,1,0,0,0,0|2,0,1]=4 3185 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,1,0,0,0,0|2,0,1]=4 3186 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,1,0,0,0,0|2,0,1]=4 3187 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,1,0,0,0,0|2,0,1]=4 3188 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,1,0,0,0,0|1,0,2]=4 3189 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,1,0,0,0,0|3,0,0]=4 3190 B10R0.71 CCCOCCCNCC#N 2230a_100011217757_100011215382 [0,1,0,0,0,0|2,0,1]=4 3191 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [0,1,0,0,0,0|1,0,0]=2 3192 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [0,1,0,0,0,0|1,0,0]=2 3193 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,1,0,0,0,0|2,0,1]=4 3194 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,1,0,0,0,0|2,0,1]=4 3195 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,1,0,0,0,0|1,0,2]=4 3196 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,1,0,0,0,0|1,0,2]=4 3197 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,1,0,0,0,0|1,0,2]=4 3198 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [0,1,0,0,0,0|1,1,1]=4 3199 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [0,1,0,0,0,0|1,1,1]=4 3200 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [0,1,0,0,0,0|2,0,1]=4 3201 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [0,1,0,0,0,0|2,0,1]=4 3202 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,1,0,0,0,0|1,0,0]=2 3203 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,1,0,0,0,0|1,0,0]=2 3204 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [0,1,0,0,0,0|2,0,1]=4 3205 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [0,1,0,0,0,0|2,0,1]=4 3206 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,1,0,0,0,0|1,0,2]=4 3207 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,1,0,0,0,0|1,0,2]=4 3208 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [0,1,0,0,0,0|1,0,2]=4 3209 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,1,0,0,0,0|1,0,1]=3 3210 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,1,0,0,0,0|1,0,1]=3 3211 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,1,0,0,0,0|1,0,1]=3 3212 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,1,0,0,0,0|1,0,1]=3 3213 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,1,0,0,0,0|2,0,1]=4 3214 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,1,0,0,0,0|2,0,1]=4 3215 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,1,0,0,0,0|2,0,1]=4 3216 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,1,0,0,0,0|2,0,1]=4 3217 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,1,0,0,0,0|2,0,1]=4 3218 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [0,1,0,0,0,0|2,0,1]=4 3219 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [0,1,0,0,0,0|2,0,1]=4 3220 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [0,1,0,0,0,0|2,0,1]=4 3221 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,1,0,0,0,0|2,0,1]=4 3222 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,1,0,0,0,0|2,0,1]=4 3223 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,1,0,0,0,0|2,0,1]=4 3224 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,1,0,0,0,0|1,0,2]=4 3225 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,1,0,0,0,0|2,0,1]=4 3226 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,1,0,0,0,0|2,0,1]=4 3227 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,1,0,0,0,0|2,0,1]=4 3228 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,1,0,0,0,0|2,0,0]=3 3229 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,1,0,0,0,0|2,0,0]=3 3230 B10R0.71 CCOCCOCCNCF 34a_100102712874_100015361967 [0,1,0,0,0,0|2,0,1]=4 3231 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,1,0,0,0,0|2,0,0]=3 3232 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,1,0,0,0,0|2,0,0]=3 3233 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,1,0,0,0,0|2,0,0]=3 3234 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,1,0,0,0,0|2,0,0]=3 3235 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [0,1,0,0,0,0|2,0,1]=4 3236 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [0,1,0,0,0,0|2,0,1]=4 3237 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,1,0,0,0,0|1,0,2]=4 3238 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,1,0,0,0,0|1,0,2]=4 3239 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,1,0,0,0,0|2,0,1]=4 3240 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,1,0,0,0,0|2,0,1]=4 3241 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,1,0,0,0,0|2,0,0]=3 3242 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,1,0,0,0,0|2,0,0]=3 3243 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,1,0,0,0,0|2,0,0]=3 3244 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,1,0,0,0,0|2,0,0]=3 3245 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,1,0,0,0,0|1,0,2]=4 3246 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,1,0,0,0,0|1,0,2]=4 3247 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,1,0,0,0,0|1,0,2]=4 3248 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,1,0,0,0,0|1,0,2]=4 3249 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,1,0,0,0,0|1,0,2]=4 3250 B10R0.71 CNCCCCCCN=[N+]=[N-] 2230a_200000049180_200000210301 [0,1,0,0,0,0|2,0,1]=4 3251 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,1,0,0,0,0|2,0,0]=3 3252 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [0,1,0,0,0,0|3,0,0]=4 3253 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,1,0,0,0,0|2,0,1]=4 3254 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,1,0,0,0,0|2,0,1]=4 3255 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,1,0,0,0,0|2,0,1]=4 3256 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,1,0,0,0,0|2,0,1]=4 3257 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,1,0,0,0,0|2,0,1]=4 3258 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,1,0,0,0,0|1,0,2]=4 3259 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,1,0,0,0,0|2,0,1]=4 3260 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,1,0,0,0,0|2,0,1]=4 3261 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,1,0,0,0,0|2,0,1]=4 3262 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,1,0,0,0,0|2,0,1]=4 3263 B10R0.71 COCCCCCNCC#N 2230a_100000747528_100011215382 [0,1,0,0,0,0|2,0,1]=4 3264 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,1,0,0,0,0|1,0,0]=2 3265 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,1,0,0,0,0|1,0,0]=2 3266 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,1,0,0,0,0|2,0,1]=4 3267 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,1,0,0,0,0|2,0,1]=4 3268 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,1,0,0,0,0|2,0,1]=4 3269 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,1,0,0,0,0|1,0,2]=4 3270 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,1,0,0,0,0|1,0,2]=4 3271 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,1,0,0,0,0|1,0,2]=4 3272 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,1,0,0,0,0|1,1,1]=4 3273 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,1,0,0,0,0|1,1,1]=4 3274 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,1,0,0,0,0|2,0,0]=3 3275 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,1,0,0,0,0|2,0,0]=3 3276 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,1,0,0,0,0|2,0,0]=3 3277 B10R0.71 COCCOCCCNCF 34a_100000206027_100015361967 [0,1,0,0,0,0|2,0,1]=4 3278 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [0,1,0,0,0,0|2,0,0]=3 3279 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [0,1,0,0,0,0|2,0,0]=3 3280 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [0,1,0,0,0,0|3,0,0]=4 3281 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [0,1,0,0,0,0|3,0,0]=4 3282 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [0,1,0,0,0,0|3,0,0]=4 3283 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [0,1,0,0,0,0|3,0,0]=4 3284 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,1,0,0,0,0|2,0,0]=3 3285 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,1,0,0,0,0|2,0,0]=3 3286 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,1,0,0,0,0|1,0,2]=4 3287 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [0,1,0,0,0,0|2,0,0]=3 3288 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [0,1,0,0,0,0|2,0,0]=3 3289 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,1,0,0,0,0|1,0,2]=4 3290 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,1,0,0,0,0|1,0,2]=4 3291 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,1,0,0,0,0|2,0,0]=3 3292 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,1,0,0,0,0|2,0,0]=3 3293 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,1,0,0,0,0|2,0,0]=3 3294 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,1,0,0,0,0|2,0,0]=3 3295 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,1,0,0,0,0|2,0,0]=3 3296 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,1,0,0,0,0|2,0,0]=3 3297 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,1,0,0,0,0|1,1,1]=4 3298 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,1,0,0,0,0|1,1,1]=4 3299 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,1,0,0,0,0|2,0,0]=3 3300 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,1,0,0,0,0|2,0,0]=3 3301 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [0,1,0,0,0,0|2,0,1]=4 3302 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [0,1,0,0,0,0|2,0,1]=4 3303 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [0,1,0,0,0,0|2,0,1]=4 3304 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [0,1,0,0,0,0|2,0,1]=4 3305 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [0,1,0,0,0,0|2,0,1]=4 3306 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [0,1,0,0,0,0|2,0,1]=4 3307 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [0,1,0,0,0,0|2,0,1]=4 3308 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [0,1,0,0,0,0|2,0,1]=4 3309 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [0,1,0,0,0,0|2,0,1]=4 3310 B10R0.71 N#CCNCCCCCCO 2230a_100000686447_100011215382 [0,1,0,0,0,0|2,0,1]=4 3311 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [0,1,0,0,0,0|2,0,1]=4 3312 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [0,1,0,0,0,0|2,0,1]=4 3313 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [0,1,0,0,0,0|2,0,1]=4 3314 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [0,1,0,0,0,0|2,0,0]=3 3315 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,1,0,0,0,0|2,0,0]=3 3316 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [0,1,0,0,0,0|2,0,1]=4 3317 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [0,1,0,0,0,0|2,0,1]=4 3318 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [0,1,0,0,0,0|2,0,0]=3 3319 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [0,1,0,0,0,0|2,0,0]=3 3320 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,1,0,0,0,0|2,0,0]=3 3321 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,1,0,0,0,0|2,0,0]=3 3322 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,1,0,0,0,0|2,0,0]=3 3323 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,1,0,0,0,0|2,0,0]=3 3324 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,1,0,0,0,0|2,0,0]=3 3325 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,1,0,0,0,0|2,0,0]=3 3326 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,1,0,0,0,0|2,0,0]=3 3327 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,1,0,0,0,0|2,0,0]=3 3328 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,1,0,0,0,0|2,0,0]=3 3329 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,1,0,0,0,0|2,0,0]=3 3330 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [0,1,0,0,0,0|2,0,1]=4 3331 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,1,0,0,0,0|2,0,0]=3 3332 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,1,0,0,0,0|2,0,0]=3 3333 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,1,0,0,0,0|2,0,0]=3 3334 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,1,0,0,0,0|2,0,0]=3 3335 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,1,0,0,0,0|1,0,0]=2 3336 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,1,0,0,0,0|1,0,0]=2 3337 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [0,1,0,0,0,0|2,0,0]=3 3338 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [0,1,0,0,0,0|2,0,0]=3 3339 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [0,1,0,0,0,0|2,0,0]=3 3340 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [0,1,0,0,0,0|2,0,0]=3 3341 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [0,1,0,0,0,0|2,0,0]=3 3342 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [0,1,0,0,0,0|2,0,0]=3 3343 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [0,1,0,0,0,0|2,0,0]=3 3344 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [0,1,0,0,0,0|2,0,0]=3 3345 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,1,0,0,0,0|2,0,0]=3 3346 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,1,0,0,0,0|2,0,0]=3 3347 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,1,0,0,0,0|1,0,1]=3 3348 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,1,0,0,0,0|2,0,1]=4 3349 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,1,0,0,0,0|2,0,1]=4 3350 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,1,0,0,0,0|2,0,1]=4 3351 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|2,0,1]=4 3352 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,1,0,0,0,0|2,0,1]=4 3353 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,1,0,0,0,0|1,0,2]=4 3354 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,1,0,0,0,0|1,0,2]=4 3355 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|1,0,2]=4 3356 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,1,0,0,0,0|1,0,2]=4 3357 B10R0.71 OCCCOCCCNCF 34a_100011310245_100015361967 [0,1,0,0,0,0|2,0,1]=4 3358 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,1,0,0,0,0|1,0,2]=4 3359 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,1,0,0,0,0|1,0,2]=4 3360 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,1,0,0,0,0|1,0,2]=4 3361 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,1,0,0,0,0|1,0,2]=4 3362 B10R0.71 [13CH3]NCCCCCCN=[N+]=[N-] 2230a_200000049180_200025704644 [0,1,0,0,0,0|2,0,1]=4 3363 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,1,0,0,0,0|2,0,1]=4 3364 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,1,0,0,0,0|2,0,1]=4 3365 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,1,0,0,0,0|2,0,1]=4 3366 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,1,0,0,0,0|2,0,1]=4 3367 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,1,0,0,0,0|2,0,1]=4 3368 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,1,0,0,0,0|2,0,1]=4 3369 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,1,0,0,0,0|1,0,2]=4 3370 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,1,0,0,0,0|1,0,2]=4 3371 B10R0.71 [N-]=[N+]=NCCCCNCC=O 2230a_100000101370_200015260668 [0,1,0,0,0,0|3,0,0]=4 3372 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,1,0,0,0,0|2,0,1]=4 3373 B10R0.74 C/C=C/CCOCC(C)CC 34a_100016278192_100000748023 [0,1,0,0,0,0|3,0,0]=4 3374 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,1,0,0,0,0|3,0,0]=4 3375 B10R0.74 C/C=C/CCOC[C@@H](C)CC 34a_100016278192_100009816398 [0,1,0,0,0,0|3,0,0]=4 3376 B10R0.74 C/C=C/COCCC(C)CC 7a_100011215188_100102629194 [0,1,0,0,0,0|3,0,0]=4 3377 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,0,0,0,0|2,0,0]=3 3378 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,1,0,0,0,0|3,0,0]=4 3379 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,1,0,0,0,0|3,0,0]=4 3380 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,1,0,0,0,0|3,0,0]=4 3381 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,1,0,0,0,0|3,0,0]=4 3382 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,1,0,0,0,0|3,0,0]=4 3383 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,1,0,0,0,0|3,0,0]=4 3384 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,1,0,0,0,0|3,0,0]=4 3385 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,1,0,0,0,0|3,0,0]=4 3386 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,1,0,0,0,0|3,0,0]=4 3387 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,1,0,0,0,0|3,0,0]=4 3388 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,1,0,0,0,0|3,0,0]=4 3389 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,1,0,0,0,0|3,0,0]=4 3390 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,1,0,0,0,0|3,0,0]=4 3391 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,1,0,0,0,0|3,0,0]=4 3392 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,1,0,0,0,0|2,0,1]=4 3393 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,1,0,0,0,0|2,0,1]=4 3394 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,1,0,0,0,0|3,0,0]=4 3395 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,1,0,0,0,0|3,0,0]=4 3396 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [0,1,0,0,0,0|3,0,0]=4 3397 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [0,1,0,0,0,0|3,0,0]=4 3398 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [0,1,0,0,0,0|3,0,0]=4 3399 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,1,0,0,0,0|3,0,0]=4 3400 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,1,0,0,0,0|3,0,0]=4 3401 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,1,0,0,0,0|3,0,0]=4 3402 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [0,1,0,0,0,0|3,0,0]=4 3403 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [0,1,0,0,0,0|3,0,0]=4 3404 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [0,1,0,0,0,0|3,0,0]=4 3405 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [0,1,0,0,0,0|3,0,0]=4 3406 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [0,1,0,0,0,0|3,0,0]=4 3407 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [0,1,0,0,0,0|3,0,0]=4 3408 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,1,0,0,0,0|3,0,0]=4 3409 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,1,0,0,0,0|3,0,0]=4 3410 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,1,0,0,0,0|3,0,0]=4 3411 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [0,1,0,0,0,0|3,0,0]=4 3412 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [0,1,0,0,0,0|3,0,0]=4 3413 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,1,0,0,0,0|3,0,0]=4 3414 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,1,0,0,0,0|3,0,0]=4 3415 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,1,0,0,0,0|3,0,0]=4 3416 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,1,0,0,0,0|3,0,0]=4 3417 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,1,0,0,0,0|3,0,0]=4 3418 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,1,0,0,0,0|3,0,0]=4 3419 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,1,0,0,0,0|3,0,0]=4 3420 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [0,1,0,0,0,0|3,0,0]=4 3421 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [0,1,0,0,0,0|3,0,0]=4 3422 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,1,0,0,0,0|3,0,0]=4 3423 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,1,0,0,0,0|3,0,0]=4 3424 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [0,1,0,0,0,0|3,0,0]=4 3425 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [0,1,0,0,0,0|3,0,0]=4 3426 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [0,1,0,0,0,0|3,0,0]=4 3427 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [0,1,0,0,0,0|3,0,0]=4 3428 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,1,0,0,0,0|3,0,0]=4 3429 B10R0.74 C=COCCCNC(C)CC 2230a_100000210767_100000758301 [0,1,0,0,0,0|3,0,0]=4 3430 B10R0.74 C=COCCCNC(C)CC 34a_100000210767_100011215416 [0,1,0,0,0,0|3,0,0]=4 3431 B10R0.74 C=COCCNCC(C)CC 2230a_100020588543_100000039644 [0,1,0,0,0,0|3,0,0]=4 3432 B10R0.74 C=COCCNCC(O)CC 2230a_100011218483_100000039644 [0,1,0,0,0,0|3,0,0]=4 3433 B10R0.74 C=COCCOCC(C)CC 34a_100000033082_100000748023 [0,1,0,0,0,0|3,0,0]=4 3434 B10R0.74 C=COCCOCC(O)CC 34a_100000033082_100011218378 [0,1,0,0,0,0|3,0,0]=4 3435 B10R0.74 C=COCCOC[C@@H](C)CC 34a_100000033082_100009816398 [0,1,0,0,0,0|3,0,0]=4 3436 B10R0.74 C=COCCOC[C@@H](C)CC 7a_100009816381_100000039644 [0,1,0,0,0,0|3,0,0]=4 3437 B10R0.74 C=COCCSCC(C)CC 62a_100000039644_100000748023 [0,1,0,0,0,0|3,0,0]=4 3438 B10R0.74 C=COCCSCC(C)CC 62a_100000748023_100000039644 [0,1,0,0,0,0|3,0,0]=4 3439 B10R0.74 C=COCCSCC(O)CC 62a_100000039644_100011218378 [0,1,0,0,0,0|3,0,0]=4 3440 B10R0.74 C=COCCSCC(O)CC 62a_100011218378_100000039644 [0,1,0,0,0,0|3,0,0]=4 3441 B10R0.74 C=COCCSC[C@@H](C)CC 62a_100000039644_100009816398 [0,1,0,0,0,0|3,0,0]=4 3442 B10R0.74 C=COCCSC[C@@H](C)CC 62a_100009816398_100000039644 [0,1,0,0,0,0|3,0,0]=4 3443 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,1,0,0,0,0|3,0,0]=4 3444 B10R0.74 CC(CF)OCCCCC=O 7a_100016041109_100000139335 [0,1,0,0,0,0|3,0,0]=4 3445 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [0,1,0,0,0,0|3,0,0]=4 3446 B10R0.74 CC=CCCCOC(C)CC 34a_100020645299_100011215416 [0,1,0,0,0,0|3,0,0]=4 3447 B10R0.74 CC=CCNCCC(C)CC 2230a_100020591266_100000070051 [0,1,0,0,0,0|3,0,0]=4 3448 B10R0.74 CC=CCOCCC(C)CC 7a_100011215188_100000070051 [0,1,0,0,0,0|3,0,0]=4 3449 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,1,0,0,0,0|2,0,1]=4 3450 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,1,0,0,0,0|2,0,1]=4 3451 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,1,0,0,0,0|3,0,0]=4 3452 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,1,0,0,0,0|3,0,0]=4 3453 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [0,1,0,0,0,0|2,0,0]=3 3454 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,1,0,0,0,0|2,0,0]=3 3455 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,1,0,0,0,0|2,0,0]=3 3456 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,1,0,0,0,0|2,0,0]=3 3457 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [0,1,0,0,0,0|2,0,0]=3 3458 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [0,1,0,0,0,0|2,0,0]=3 3459 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [0,1,0,0,0,0|2,0,0]=3 3460 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [0,1,0,0,0,0|2,0,0]=3 3461 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,1,0,0,0,0|2,0,0]=3 3462 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,1,0,0,0,0|2,0,0]=3 3463 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,1,0,0,0,0|2,0,0]=3 3464 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|2,0,1]=4 3465 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|2,0,1]=4 3466 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|2,0,1]=4 3467 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|1,0,2]=4 3468 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|3,0,0]=4 3469 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|3,0,0]=4 3470 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|3,0,0]=4 3471 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|3,0,0]=4 3472 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,1,0,0,0,0|3,0,0]=4 3473 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,1,0,0,0,0|3,0,0]=4 3474 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,1,0,0,0,0|3,0,0]=4 3475 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,1,0,0,0,0|3,0,0]=4 3476 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,1,0,0,0,0|3,0,0]=4 3477 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,1,0,0,0,0|3,0,0]=4 3478 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,1,0,0,0,0|3,0,0]=4 3479 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,1,0,0,0,0|3,0,0]=4 3480 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,1,0,0,0,0|3,0,0]=4 3481 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,1,0,0,0,0|3,0,0]=4 3482 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,1,0,0,0,0|3,0,0]=4 3483 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,1,0,0,0,0|3,0,0]=4 3484 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,1,0,0,0,0|3,0,0]=4 3485 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,1,0,0,0,0|1,0,1]=3 3486 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,1,0,0,0,0|1,0,1]=3 3487 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,1,0,0,0,0|1,0,1]=3 3488 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,1,0,0,0,0|1,0,1]=3 3489 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,1,0,0,0,0|1,0,1]=3 3490 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,1,0,0,0,0|1,0,1]=3 3491 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,1,0,0,0,0|1,0,1]=3 3492 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,1,0,0,0,0|1,0,1]=3 3493 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,1,0,0,0,0|1,0,1]=3 3494 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,1,0,0,0,0|2,0,1]=4 3495 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,1,0,0,0,0|2,0,1]=4 3496 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,1,0,0,0,0|2,0,1]=4 3497 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,1,0,0,0,0|2,0,0]=3 3498 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,1,0,0,0,0|2,0,0]=3 3499 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,1,0,0,0,0|2,0,1]=4 3500 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,1,0,0,0,0|2,0,1]=4 3501 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,1,0,0,0,0|2,0,1]=4 3502 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,1,0,0,0,0|2,0,1]=4 3503 B10R0.74 CCN(C)CCCSCC=O 62a_200015260668_100015186262 [0,1,0,0,0,0|3,0,0]=4 3504 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,1,0,0,0,0|2,0,0]=3 3505 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,1,0,0,0,0|2,0,0]=3 3506 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,1,0,0,0,0|2,0,0]=3 3507 B10R0.74 COC(C)SCCCCC=O 62a_100000139335_100009879195 [0,1,0,0,0,0|3,0,0]=4 3508 B10R0.74 COC(C)SCCCCC=O 62a_100009879195_100000139335 [0,1,0,0,0,0|3,0,0]=4 3509 B10R0.74 CO[C@H](C)CNCCCC=O 2230a_100020591295_200011292268 [0,1,0,0,0,0|3,0,0]=4 3510 B10R0.74 C[C@@H](CN)CCCOCC=O 34a_100160569302_200009817547 [0,1,0,0,0,0|3,0,0]=4 3511 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_100000059175_200011292268 [0,1,0,0,0,0|3,0,0]=4 3512 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_200011292268_100000059175 [0,1,0,0,0,0|3,0,0]=4 3513 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [0,1,0,0,0,0|3,0,0]=4 3514 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [0,1,0,0,0,0|3,0,0]=4 3515 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [0,1,0,0,0,0|3,0,0]=4 3516 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,1,0,0,0,0|3,0,0]=4 3517 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,1,0,0,0,0|3,0,0]=4 3518 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,1,0,0,0,0|3,0,0]=4 3519 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_100015614560_200011292268 [0,1,0,0,0,0|3,0,0]=4 3520 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_200011292268_100015614560 [0,1,0,0,0,0|3,0,0]=4 3521 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,1,0,0,0,0|3,0,0]=4 3522 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,1,0,0,0,0|3,0,0]=4 3523 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,1,0,0,0,0|2,0,1]=4 3524 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,1,0,0,0,0|3,0,0]=4 3525 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [0,1,0,0,0,0|3,0,0]=4 3526 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [0,1,0,0,0,0|3,0,0]=4 3527 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [0,1,0,0,0,0|3,0,0]=4 3528 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [0,1,0,0,0,0|3,0,0]=4 3529 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [0,1,0,0,0,0|3,0,0]=4 3530 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,1,0,0,0,0|2,0,1]=4 3531 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,1,0,0,0,0|2,0,1]=4 3532 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,1,0,0,0,0|3,0,0]=4 3533 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,1,0,0,0,0|3,0,0]=4 3534 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,1,0,0,0,0|3,0,0]=4 3535 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,1,0,0,0,0|2,0,1]=4 3536 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,1,0,0,0,0|2,0,1]=4 3537 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [0,1,0,0,0,0|3,0,0]=4 3538 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [0,1,0,0,0,0|3,0,0]=4 3539 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,1,0,0,0,0|3,0,0]=4 3540 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,1,0,0,0,0|3,0,0]=4 3541 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,1,0,0,0,0|3,0,0]=4 3542 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,1,0,0,0,0|3,0,0]=4 3543 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [0,1,0,0,0,0|3,0,0]=4 3544 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [0,1,0,0,0,0|3,0,0]=4 3545 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [0,1,0,0,0,0|3,0,0]=4 3546 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [0,1,0,0,0,0|3,0,0]=4 3547 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [0,1,0,0,0,0|3,0,0]=4 3548 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [0,1,0,0,0,0|3,0,0]=4 3549 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [0,1,0,0,0,0|3,0,0]=4 3550 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [0,1,0,0,0,0|3,0,0]=4 3551 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,1,0,0,0,0|3,0,0]=4 3552 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,1,0,0,0,0|3,0,0]=4 3553 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,1,0,0,0,0|3,0,0]=4 3554 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,1,0,0,0,0|3,0,0]=4 3555 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,1,0,0,0,0|3,0,0]=4 3556 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,1,0,0,0,0|3,0,0]=4 3557 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [0,1,0,0,0,0|3,0,0]=4 3558 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [0,1,0,0,0,0|3,0,0]=4 3559 B10R0.91 C=CCOC[C@@H](N)CCCC 34a_100011934283_100015514636 [0,1,0,0,0,0|3,0,0]=4 3560 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,1,0,0,0,0|3,0,0]=4 3561 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,1,0,0,0,0|3,0,0]=4 3562 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [0,1,0,0,0,0|2,0,1]=4 3563 B10R0.91 C=COCCN(C)CCCC 2230a_100000207549_100000039644 [0,1,0,0,0,0|3,0,0]=4 3564 B10R0.91 C=COCCN(C)CCCC 269982a_100000207549_100000039644 [0,1,0,0,0,0|3,0,0]=4 3565 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,1,0,0,0,0|2,0,1]=4 3566 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,1,0,0,0,0|2,0,1]=4 3567 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,1,0,0,0,0|3,0,0]=4 3568 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [0,1,0,0,0,0|3,0,0]=4 3569 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [0,1,0,0,0,0|3,0,0]=4 3570 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [0,1,0,0,0,0|3,0,0]=4 3571 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [0,1,0,0,0,0|3,0,0]=4 3572 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [0,1,0,0,0,0|3,0,0]=4 3573 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [0,1,0,0,0,0|2,0,0]=3 3574 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [0,1,0,0,0,0|2,0,0]=3 3575 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,1,0,0,0,0|1,0,2]=4 3576 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,1,0,0,0,0|2,0,0]=3 3577 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,1,0,0,0,0|2,0,0]=3 3578 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,1,0,0,0,0|2,0,0]=3 3579 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,1,0,0,0,0|2,0,0]=3 3580 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,1,0,0,0,0|2,0,0]=3 3581 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [0,1,0,0,0,0|2,0,0]=3 3582 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [0,1,0,0,0,0|2,0,0]=3 3583 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [0,1,0,0,0,0|2,0,0]=3 3584 B10R0.91 CCCOC(C)CNCC=O 2230a_100015185124_200015260668 [0,1,0,0,0,0|3,0,0]=4 3585 B10R0.91 CCCOC(C)CNCC=O 34a_100015185124_200009817547 [0,1,0,0,0,0|3,0,0]=4 3586 B10R0.91 CCOCC(O)CNCC=O 2230a_102515437182_200015260668 [0,1,0,0,0,0|3,0,0]=4 3587 B10R0.91 CCOCC(O)CNCC=O 34a_102515437182_200009817547 [0,1,0,0,0,0|3,0,0]=4 3588 B10R0.91 CN(CCCO)CCCC=O 2230a_100000213112_200011292268 [0,1,0,0,0,0|3,0,0]=4 3589 B10R0.91 CN(CCCO)CCCC=O 269982a_100000213112_200011292268 [0,1,0,0,0,0|3,0,0]=4 3590 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [0,1,0,0,0,0|3,0,0]=4 3591 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [0,1,0,0,0,0|3,0,0]=4 3592 B10R0.91 COCCN(C)CCCC=O 2230a_100000743101_200011292268 [0,1,0,0,0,0|3,0,0]=4 3593 B10R0.91 COCCN(C)CCCC=O 269982a_100000743101_200011292268 [0,1,0,0,0,0|3,0,0]=4 3594 B10R0.91 CSCCN(C)CCCC=O 2230a_100000686725_200011292268 [0,1,0,0,0,0|3,0,0]=4 3595 B10R0.91 CSCCN(C)CCCC=O 269982a_100000686725_200011292268 [0,1,0,0,0,0|3,0,0]=4 3596 B10R0.91 CSCC[C@H](N)COCC=O 34a_100011827619_200009817547 [0,1,0,0,0,0|3,0,0]=4 3597 B10R0.91 C[C@H](CCCO)CNCC=O 2230a_100160569302_200015260668 [0,1,0,0,0,0|3,0,0]=4 3598 B10R0.91 C[C@H](CCCO)CNCC=O 34a_100160569302_200009817547 [0,1,0,0,0,0|3,0,0]=4 3599 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [0,0,0,1,0,0|3,0,0]=4 3600 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [0,0,0,1,0,0|3,0,0]=4 3601 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [0,0,0,1,0,0|3,0,0]=4 3602 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [0,0,0,1,0,0|1,0,1]=3 3603 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,0,0,1,0,0|2,0,1]=4 3604 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,0,0,1,0,0|2,0,1]=4 3605 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,0,0,1,0,0|2,0,0]=3 3606 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,0,0,1,0,0|2,0,0]=3 3607 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,0,0,1,0,0|2,0,0]=3 3608 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [0,0,0,1,0,0|3,0,0]=4 3609 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [0,0,0,1,0,0|3,0,0]=4 3610 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [0,0,0,1,0,0|3,0,0]=4 3611 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [0,0,0,1,0,0|3,0,0]=4 3612 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [0,0,0,1,0,0|3,0,0]=4 3613 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [0,0,0,1,0,0|3,0,0]=4 3614 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [0,0,0,1,0,0|1,0,1]=3 3615 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [0,0,0,1,0,0|1,0,1]=3 3616 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [0,0,0,1,0,0|1,0,1]=3 3617 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [0,0,0,1,0,0|1,0,1]=3 3618 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [0,0,0,1,0,0|1,0,0]=2 3619 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [0,0,0,1,0,0|1,0,0]=2 3620 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [0,0,0,1,0,0|1,0,0]=2 3621 B10R1.4 CCNC1CCNCC1C 270004a_100015525214_100000703950 [0,0,0,1,0,0|2,0,1]=4 3622 B10R1.4 CCNC1CCOCC1C 270004a_100015525214_100000755695 [0,0,0,1,0,0|2,0,1]=4 3623 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [0,0,0,1,0,0|2,0,1]=4 3624 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [0,0,0,1,0,0|2,0,1]=4 3625 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,0,0,1,0,0|2,0,0]=3 3626 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,0,0,1,0,0|2,0,0]=3 3627 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,0,0,1,0,0|2,0,1]=4 3628 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,0,0,1,0,0|2,0,1]=4 3629 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,0,0,1,0,0|1,0,0]=2 3630 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,0,0,1,0,0|1,0,0]=2 3631 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,0,0,1,0,0|3,0,0]=4 3632 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,0,0,1,0,0|2,0,0]=3 3633 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,0,0,1,0,0|2,0,0]=3 3634 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [0,0,0,1,0,0|1,0,0]=2 3635 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [0,0,0,1,0,0|1,0,0]=2 3636 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,0,0,1,0,0|3,0,0]=4 3637 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,0,0,1,0,0|3,0,0]=4 3638 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,0,0,1,0,0|2,0,0]=3 3639 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,0,0,1,0,0|2,0,0]=3 3640 B10R1.4 C[C@H]1COCCN1CC=O 2230a_100009815349_200015260668 [0,0,0,1,0,0|3,0,0]=4 3641 B10R1.4 C[C@H]1COCCN1CC=O 269982a_100009815349_200015260668 [0,0,0,1,0,0|3,0,0]=4 3642 B10R1.4 C[C@H]1COCCN1CC=O 34a_100009815349_200009817547 [0,0,0,1,0,0|3,0,0]=4 3643 B10R1.4 FCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015361967 [0,0,0,1,0,0|2,0,1]=4 3644 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,0,0,1,0,0|3,0,0]=4 3645 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [0,0,0,1,0,0|3,0,0]=4 3646 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [0,0,0,1,0,0|3,0,0]=4 3647 B10R1.4 O=C1NCCCC1NCF 34a_100000747585_100015361967 [0,0,0,1,0,0|2,0,0]=3 3648 B10R1.4 O=C1NCCCC1OCF 34a_100000073722_100015361967 [0,0,0,1,0,0|2,0,0]=3 3649 B10R1.4 O=C1NCCCC1SCF 62a_100000687798_100015361967 [0,0,0,1,0,0|2,0,0]=3 3650 B10R1.4 O=C1NCCCC1SCF 62a_100015361967_100000687798 [0,0,0,1,0,0|2,0,0]=3 3651 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,0,0,1,0,0|2,0,0]=3 3652 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,0,0,1,0,0|2,0,0]=3 3653 B10R1.5 C=CCN1CCCC1CC 2230a_100000754278_100000210623 [0,0,0,1,0,0|3,0,0]=4 3654 B10R1.5 C=CCN1CCCC1CC 269982a_100000754278_100000210623 [0,0,0,1,0,0|3,0,0]=4 3655 B10R1.5 C=CCN1CCCC1CC 34a_100000754278_100015514636 [0,0,0,1,0,0|3,0,0]=4 3656 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [0,0,0,1,0,0|2,0,0]=3 3657 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [0,0,0,1,0,0|2,0,0]=3 3658 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [0,0,0,1,0,0|2,0,0]=3 3659 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [0,0,0,1,0,0|3,0,0]=4 3660 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [0,0,0,1,0,0|3,0,0]=4 3661 B10R1.5 CCN1CCCC1CNC 2230a_100000211693_200000210301 [0,0,0,1,0,0|2,0,1]=4 3662 B10R1.5 CCN1CCCC1CN[13CH3] 2230a_100000211693_200025704644 [0,0,0,1,0,0|2,0,1]=4 3663 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [0,0,0,1,0,0|2,0,1]=4 3664 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [0,0,0,1,0,0|2,0,1]=4 3665 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [0,0,0,1,0,0|2,0,1]=4 3666 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [0,0,0,1,0,0|2,0,1]=4 3667 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [0,0,0,1,0,0|2,0,1]=4 3668 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [0,0,0,1,0,0|2,0,1]=4 3669 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [0,0,0,1,0,0|2,0,1]=4 3670 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [0,0,0,1,0,0|1,0,1]=3 3671 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [0,0,0,1,0,0|1,0,1]=3 3672 B10R1.5 COC[C@@H]1CCCN1CF 269982a_100020646714_100015361967 [0,0,0,1,0,0|2,0,1]=4 3673 B10R1.5 COC[C@@H]1CCCN1CF 34a_100020646714_100015361967 [0,0,0,1,0,0|2,0,1]=4 3674 B10R1.5 O=CCN1CCC[C@@H]1CO 2230a_100000745186_200015260668 [0,0,0,1,0,0|3,0,0]=4 3675 B10R1.5 O=CCN1CCC[C@@H]1CO 269982a_100000745186_200015260668 [0,0,0,1,0,0|3,0,0]=4 3676 B10R1.5 O=CCN1CCC[C@@H]1CO 34a_100000745186_200009817547 [0,0,0,1,0,0|3,0,0]=4 3677 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [0,0,0,1,0,0|3,0,0]=4 3678 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [0,0,0,1,0,0|3,0,0]=4 3679 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [0,0,0,1,0,0|3,0,0]=4 3680 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [0,0,0,1,0,0|3,0,0]=4 3681 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [0,0,0,1,0,0|3,0,0]=4 3682 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [0,0,0,1,0,0|3,0,0]=4 3683 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [0,0,0,1,0,0|3,0,0]=4 3684 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [0,0,0,1,0,0|3,0,0]=4 3685 B10R1.17 CC=NNC1CCCCC1 4a_100000709804_200000210099 [0,0,0,1,0,0|2,0,1]=4 3686 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [0,0,0,1,0,0|3,0,0]=4 3687 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [0,0,0,1,0,0|3,0,0]=4 3688 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [0,0,0,1,0,0|3,0,0]=4 3689 B10R1.17 CCCNC1CCNCC1 270004a_100020643023_100015192401 [0,0,0,1,0,0|2,0,1]=4 3690 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,0,0,1,0,0|3,0,0]=4 3691 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [0,0,0,1,0,0|3,0,0]=4 3692 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [0,0,0,1,0,0|3,0,0]=4 3693 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [0,0,0,1,0,0|3,0,0]=4 3694 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [0,0,0,1,0,0|3,0,0]=4 3695 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [0,0,0,1,0,0|1,0,1]=3 3696 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [0,0,0,1,0,0|1,0,1]=3 3697 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [0,0,0,1,0,0|1,0,1]=3 3698 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [0,0,0,1,0,0|1,0,1]=3 3699 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,0,0,1,0,0|2,0,1]=4 3700 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,0,0,1,0,0|2,0,1]=4 3701 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,0,0,1,0,0|2,0,1]=4 3702 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [0,0,0,1,0,0|2,0,1]=4 3703 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [0,0,0,1,0,0|2,0,1]=4 3704 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [0,0,0,1,0,0|2,0,1]=4 3705 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [0,0,0,1,0,0|2,0,1]=4 3706 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [0,0,0,1,0,0|2,0,1]=4 3707 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [0,0,0,1,0,0|2,0,1]=4 3708 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [0,0,0,1,0,0|2,0,1]=4 3709 B10R1.17 CCNCC1CCSCC1 2230a_100015188806_100000210202 [0,0,0,1,0,0|2,0,1]=4 3710 B10R1.17 CCNCC1CCSCC1 269862a_100015525214_100000067145 [0,0,0,1,0,0|2,0,1]=4 3711 B10R1.17 CCNCC1CCSCC1 270004a_100015525214_100000067145 [0,0,0,1,0,0|2,0,1]=4 3712 B10R1.17 CCNCC1CCSCC1 34a_100015188806_100000210202 [0,0,0,1,0,0|2,0,1]=4 3713 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [0,0,0,1,0,0|3,0,0]=4 3714 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,0,0,1,0,0|2,0,1]=4 3715 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,0,0,1,0,0|2,0,1]=4 3716 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,0,0,1,0,0|2,0,1]=4 3717 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,0,0,1,0,0|2,0,1]=4 3718 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [0,0,0,1,0,0|2,0,1]=4 3719 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [0,0,0,1,0,0|2,0,1]=4 3720 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [0,0,0,1,0,0|2,0,1]=4 3721 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [0,0,0,1,0,0|3,0,0]=4 3722 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [0,0,0,1,0,0|3,0,0]=4 3723 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [0,0,0,1,0,0|3,0,0]=4 3724 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [0,0,0,1,0,0|3,0,0]=4 3725 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [0,0,0,1,0,0|3,0,0]=4 3726 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [0,0,0,1,0,0|3,0,0]=4 3727 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [0,0,0,1,0,0|3,0,0]=4 3728 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [0,0,0,1,0,0|3,0,0]=4 3729 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [0,0,0,1,0,0|3,0,0]=4 3730 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [0,0,0,1,0,0|2,0,1]=4 3731 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [0,0,0,1,0,0|3,0,0]=4 3732 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [0,0,0,1,0,0|3,0,0]=4 3733 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [0,0,0,1,0,0|1,0,1]=3 3734 B10R1.17 FCNCC1CCCCO1 34a_100000174945_100015361967 [0,0,0,1,0,0|2,0,1]=4 3735 B10R1.17 FCNCC1CCCOC1 34a_100000720124_100015361967 [0,0,0,1,0,0|2,0,1]=4 3736 B10R1.17 FCNCC1CCOCC1 34a_100000746373_100015361967 [0,0,0,1,0,0|2,0,1]=4 3737 B10R1.17 FCNCC1CCSCC1 34a_100015188806_100015361967 [0,0,0,1,0,0|2,0,1]=4 3738 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [0,0,0,1,0,0|2,0,1]=4 3739 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [0,0,0,1,0,0|2,0,1]=4 3740 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [0,0,0,1,0,0|2,0,1]=4 3741 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [0,0,0,1,0,0|2,0,1]=4 3742 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [0,0,0,1,0,0|2,0,0]=3 3743 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [0,0,0,1,0,0|2,0,0]=3 3744 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [0,0,0,1,0,0|3,0,0]=4 3745 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [0,0,0,1,0,0|3,0,0]=4 3746 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [0,0,0,1,0,0|3,0,0]=4 3747 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [0,0,0,1,0,0|3,0,0]=4 3748 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [0,0,0,1,0,0|3,0,0]=4 3749 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [0,0,0,1,0,0|3,0,0]=4 3750 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [0,0,0,1,0,0|2,0,0]=3 3751 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [0,0,0,1,0,0|2,0,0]=3 3752 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,0,0,1,0,0|3,0,0]=4 3753 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [0,0,0,1,0,0|3,0,0]=4 3754 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [0,0,0,1,0,0|3,0,0]=4 3755 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [0,0,0,1,0,0|3,0,0]=4 3756 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [0,0,0,1,0,0|3,0,0]=4 3757 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [0,0,0,1,0,0|3,0,0]=4 3758 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [0,0,0,1,0,0|2,0,0]=3 3759 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [0,0,0,1,0,0|2,0,0]=3 3760 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [0,0,0,1,0,0|3,0,0]=4 3761 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [0,0,0,1,0,0|3,0,0]=4 3762 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [0,0,0,1,0,0|3,0,0]=4 3763 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [0,0,0,1,0,0|3,0,0]=4 3764 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [0,0,0,1,0,0|3,0,0]=4 3765 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [0,0,0,1,0,0|3,0,0]=4 3766 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [0,0,0,1,0,0|3,0,0]=4 3767 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [0,0,0,1,0,0|2,0,1]=4 3768 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [0,0,0,1,0,0|3,0,0]=4 3769 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [0,0,0,1,0,0|3,0,0]=4 3770 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,0,0,1,0,0|2,0,0]=3 3771 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,0,0,1,0,0|1,0,0]=2 3772 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,0,0,1,0,0|1,0,0]=2 3773 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,0,0,1,0,0|1,0,0]=2 3774 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,0,0,1,0,0|1,0,0]=2 3775 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,0,0,1,0,0|2,0,0]=3 3776 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,0,0,1,0,0|2,0,0]=3 3777 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,0,0,1,0,0|1,0,0]=2 3778 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,0,0,1,0,0|1,0,0]=2 3779 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,0,0,1,0,0|1,0,0]=2 3780 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,0,0,1,0,0|1,0,0]=2 3781 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,0,0,1,0,0|2,0,0]=3 3782 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,0,0,1,0,0|2,0,0]=3 3783 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,0,0,1,0,0|1,0,0]=2 3784 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,0,0,1,0,0|1,0,0]=2 3785 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [0,0,0,1,0,0|3,0,0]=4 3786 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [0,0,0,1,0,0|3,0,0]=4 3787 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [0,0,0,1,0,0|3,0,0]=4 3788 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [0,0,0,1,0,0|3,0,0]=4 3789 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [0,0,0,1,0,0|3,0,0]=4 3790 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [0,0,0,1,0,0|3,0,0]=4 3791 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [0,0,0,1,0,0|1,0,1]=3 3792 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [0,0,0,1,0,0|1,0,1]=3 3793 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [0,0,0,1,0,0|1,0,1]=3 3794 B10R1.20 CCC1CCCCN1CF 269982a_100000210034_100015361967 [0,0,0,1,0,0|1,0,1]=3 3795 B10R1.20 CCC1CCCCN1CF 34a_100000210034_100015361967 [0,0,0,1,0,0|1,0,1]=3 3796 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [0,0,0,1,0,0|2,0,1]=4 3797 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [0,0,0,1,0,0|2,0,1]=4 3798 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [0,0,0,1,0,0|2,0,1]=4 3799 B10R1.20 CC[C@H]1COCCN1CC 2230a_100016988097_100000210202 [0,0,0,1,0,0|2,0,1]=4 3800 B10R1.20 CC[C@H]1COCCN1CC 269982a_100016988097_100000204670 [0,0,0,1,0,0|2,0,1]=4 3801 B10R1.20 CC[C@H]1COCCN1CC 34a_100016988097_100000210202 [0,0,0,1,0,0|2,0,1]=4 3802 B10R1.20 CC[C@H]1COCCN1CF 269982a_100016988097_100015361967 [0,0,0,1,0,0|2,0,1]=4 3803 B10R1.20 CC[C@H]1COCCN1CF 34a_100016988097_100015361967 [0,0,0,1,0,0|2,0,1]=4 3804 B10R1.20 OCC1CCCCN1CF 269982a_100000210821_100015361967 [0,0,0,1,0,0|2,0,1]=4 3805 B10R1.20 OCC1CCCCN1CF 34a_100000210821_100015361967 [0,0,0,1,0,0|2,0,1]=4 3806 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [0,0,0,1,0,0|3,0,0]=4 3807 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [0,0,0,1,0,0|3,0,0]=4 3808 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [0,0,0,1,0,0|3,0,0]=4 3809 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [0,0,0,1,0,0|3,0,0]=4 3810 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [0,0,0,1,0,0|3,0,0]=4 3811 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [0,0,0,1,0,0|3,0,0]=4 3812 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [0,0,0,1,0,0|3,0,0]=4 3813 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [0,0,0,1,0,0|3,0,0]=4 3814 B10R1.21 C=CCCNC1CCCC1 2230a_100000211070_100000754431 [0,0,0,1,0,0|3,0,0]=4 3815 B10R1.21 C=CCCNC1CCCC1 2230a_100015191253_100000179811 [0,0,0,1,0,0|3,0,0]=4 3816 B10R1.21 C=CCCNC1CCCC1 270004a_100015191253_100000210133 [0,0,0,1,0,0|3,0,0]=4 3817 B10R1.21 C=CCCNC1CCCC1 34a_100000211070_100000754431 [0,0,0,1,0,0|3,0,0]=4 3818 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [0,0,0,1,0,0|3,0,0]=4 3819 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [0,0,0,1,0,0|3,0,0]=4 3820 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [0,0,0,1,0,0|3,0,0]=4 3821 B10R1.21 C=CCCSC1CCCC1 62a_100000754431_100000179811 [0,0,0,1,0,0|3,0,0]=4 3822 B10R1.21 C=CCCSC1CCCC1 62a_100011217020_100000754431 [0,0,0,1,0,0|3,0,0]=4 3823 B10R1.21 C=CCNCC1CCCC1 2230a_100000737975_100000210623 [0,0,0,1,0,0|3,0,0]=4 3824 B10R1.21 C=CCNCC1CCCC1 2230a_100020586998_100000740388 [0,0,0,1,0,0|3,0,0]=4 3825 B10R1.21 C=CCNCC1CCCC1 34a_100000737975_100015514636 [0,0,0,1,0,0|3,0,0]=4 3826 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [0,0,0,1,0,0|3,0,0]=4 3827 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [0,0,0,1,0,0|3,0,0]=4 3828 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [0,0,0,1,0,0|3,0,0]=4 3829 B10R1.21 C=CCSCC1CCCC1 62a_100000210623_100000740388 [0,0,0,1,0,0|3,0,0]=4 3830 B10R1.21 C=CCSCC1CCCC1 62a_100000740388_100000210623 [0,0,0,1,0,0|3,0,0]=4 3831 B10R1.21 C=COCCN1CCCC1 2230a_100000188435_100000039644 [0,0,0,1,0,0|3,0,0]=4 3832 B10R1.21 C=COCCN1CCCC1 269982a_100000188435_100000039644 [0,0,0,1,0,0|3,0,0]=4 3833 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [0,0,0,1,0,0|3,0,0]=4 3834 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [0,0,0,1,0,0|3,0,0]=4 3835 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [0,0,0,1,0,0|3,0,0]=4 3836 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [0,0,0,1,0,0|3,0,0]=4 3837 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [0,0,0,1,0,0|3,0,0]=4 3838 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [0,0,0,1,0,0|3,0,0]=4 3839 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [0,0,0,1,0,0|3,0,0]=4 3840 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [0,0,0,1,0,0|3,0,0]=4 3841 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [0,0,0,1,0,0|3,0,0]=4 3842 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [0,0,0,1,0,0|2,0,1]=4 3843 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [0,0,0,1,0,0|1,0,1]=3 3844 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [0,0,0,1,0,0|1,0,1]=3 3845 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [0,0,0,1,0,0|1,0,1]=3 3846 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [0,0,0,1,0,0|2,0,1]=4 3847 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [0,0,0,1,0,0|2,0,1]=4 3848 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [0,0,0,1,0,0|2,0,1]=4 3849 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [0,0,0,1,0,0|2,0,1]=4 3850 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [0,0,0,1,0,0|2,0,1]=4 3851 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [0,0,0,1,0,0|2,0,1]=4 3852 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [0,0,0,1,0,0|3,0,0]=4 3853 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [0,0,0,1,0,0|3,0,0]=4 3854 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [0,0,0,1,0,0|3,0,0]=4 3855 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [0,0,0,1,0,0|3,0,0]=4 3856 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [0,0,0,1,0,0|3,0,0]=4 3857 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [0,0,0,1,0,0|3,0,0]=4 3858 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [0,0,0,1,0,0|3,0,0]=4 3859 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [0,0,0,1,0,0|3,0,0]=4 3860 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [0,0,0,1,0,0|3,0,0]=4 3861 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [0,0,0,1,0,0|3,0,0]=4 3862 B10R1.21 FCNCCC1CCCC1 34a_100000739158_100015361967 [0,0,0,1,0,0|1,0,1]=3 3863 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [0,0,0,1,0,0|2,0,1]=4 3864 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [0,0,0,1,0,0|2,0,1]=4 3865 B10R1.21 FCSCCC1CCCC1 62a_100000760354_100015361967 [0,0,0,1,0,0|2,0,1]=4 3866 B10R1.21 FCSCCC1CCCC1 62a_100015361967_100000760354 [0,0,0,1,0,0|2,0,1]=4 3867 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [0,0,0,1,0,0|2,0,0]=3 3868 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [0,0,0,1,0,0|2,0,0]=3 3869 B10R1.21 O=CCCCN1CCSC1 2230a_100011215254_200011292268 [0,0,0,1,0,0|3,0,0]=4 3870 B10R1.21 O=CCCCN1CCSC1 269982a_100011215254_200011292268 [0,0,0,1,0,0|3,0,0]=4 3871 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [0,0,0,1,0,0|2,0,0]=3 3872 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [0,0,0,1,0,0|2,0,0]=3 3873 B10R1.21 O=CCNCC1CCOC1 2230a_100000737293_200015260668 [0,0,0,1,0,0|3,0,0]=4 3874 B10R1.21 O=CCNCC1CCOC1 34a_100000737293_200009817547 [0,0,0,1,0,0|3,0,0]=4 3875 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [0,0,0,1,0,0|3,0,0]=4 3876 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [0,0,0,1,0,0|3,0,0]=4 3877 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [0,0,0,1,0,0|2,0,0]=3 3878 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [0,0,0,1,0,0|2,0,0]=3 3879 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [0,0,0,1,0,0|3,0,0]=4 3880 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [0,0,0,1,0,0|3,0,0]=4 3881 B10R1.21 O=CCOCC1CCNC1 34a_100000748654_200009817547 [0,0,0,1,0,0|3,0,0]=4 3882 B10R1.21 O=CCOCC1CCOC1 34a_100000740260_200009817547 [0,0,0,1,0,0|3,0,0]=4 3883 B10R1.21 O=CCOC[C@H]1CCCN1 34a_100000745186_200009817547 [0,0,0,1,0,0|3,0,0]=4 3884 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [0,0,0,1,0,0|2,0,0]=3 3885 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [0,0,0,1,0,0|2,0,0]=3 3886 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [0,0,0,1,0,0|3,0,0]=4 3887 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [0,0,0,1,0,0|3,0,0]=4 3888 B10R1.21 O=CCSCC1CCOC1 62a_100000702531_200015260668 [0,0,0,1,0,0|3,0,0]=4 3889 B10R1.21 O=CCSCC1CCOC1 62a_200015260668_100000702531 [0,0,0,1,0,0|3,0,0]=4 3890 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [0,0,0,1,0,0|3,0,0]=4 3891 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [0,0,0,1,0,0|3,0,0]=4 3892 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [0,0,0,1,0,0|3,0,0]=4 3893 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [0,0,0,1,0,0|3,0,0]=4 3894 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [0,0,0,1,0,0|3,0,0]=4 3895 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [0,0,0,1,0,0|3,0,0]=4 3896 B10R1.29 C#CCNC1CCNC1=O 2230a_100016995588_100000038162 [0,0,0,1,0,0|1,0,2]=4 3897 B10R1.29 C#CCNC1CCNC1=O 34a_100016995588_100000184674 [0,0,0,1,0,0|1,0,2]=4 3898 B10R1.29 C#CCO[C@H]1CCNC1=O 34a_100000688343_100000184674 [0,0,0,1,0,0|1,0,2]=4 3899 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [0,0,0,1,0,0|3,0,0]=4 3900 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [0,0,0,1,0,0|3,0,0]=4 3901 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [0,0,0,1,0,0|3,0,0]=4 3902 B10R1.29 C=CCCN1CCC[C@@H]1C 2230a_100020605311_100000754431 [0,0,0,1,0,0|3,0,0]=4 3903 B10R1.29 C=CCCN1CCC[C@@H]1C 269982a_100020605311_100000754431 [0,0,0,1,0,0|3,0,0]=4 3904 B10R1.29 C=CCCN1CCC[C@H]1C 2230a_100015189458_100000754431 [0,0,0,1,0,0|3,0,0]=4 3905 B10R1.29 C=CCCN1CCC[C@H]1C 269982a_100015189458_100000754431 [0,0,0,1,0,0|3,0,0]=4 3906 B10R1.29 C=CCCN1CCC[C@H]1C 34a_100015189458_100000754431 [0,0,0,1,0,0|3,0,0]=4 3907 B10R1.29 C=CCNC1CCNC1=O 2230a_100016995588_100000210623 [0,0,0,1,0,0|1,0,2]=4 3908 B10R1.29 C=CCNC1CCNC1=O 34a_100016995588_100015514636 [0,0,0,1,0,0|1,0,2]=4 3909 B10R1.29 C=CCOC1CCCC1C 34a_100011216460_100015514636 [0,0,0,1,0,0|3,0,0]=4 3910 B10R1.29 C=CCOC1CCCC1C 7a_100011216460_100015514636 [0,0,0,1,0,0|3,0,0]=4 3911 B10R1.29 C=CCO[C@H]1CCNC1=O 34a_100000688343_100015514636 [0,0,0,1,0,0|1,0,2]=4 3912 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [0,0,0,1,0,0|2,0,0]=3 3913 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [0,0,0,1,0,0|2,0,0]=3 3914 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [0,0,0,1,0,0|3,0,0]=4 3915 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [0,0,0,1,0,0|3,0,0]=4 3916 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [0,0,0,1,0,0|3,0,0]=4 3917 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,0,0,1,0,0|1,0,0]=2 3918 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,0,0,1,0,0|1,0,0]=2 3919 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,0,0,1,0,0|2,0,0]=3 3920 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,0,0,1,0,0|2,0,0]=3 3921 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,0,0,1,0,0|2,0,0]=3 3922 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,0,0,1,0,0|2,0,0]=3 3923 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,0,0,1,0,0|2,0,0]=3 3924 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,0,0,1,0,0|1,0,0]=2 3925 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,0,0,1,0,0|2,0,0]=3 3926 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,0,0,1,0,0|2,0,0]=3 3927 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,0,0,1,0,0|2,0,0]=3 3928 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,0,0,1,0,0|2,0,0]=3 3929 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,0,0,1,0,0|1,0,0]=2 3930 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,0,0,1,0,0|3,0,0]=4 3931 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,0,0,1,0,0|3,0,0]=4 3932 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [0,0,0,1,0,0|3,0,0]=4 3933 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [0,0,0,1,0,0|3,0,0]=4 3934 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [0,0,0,1,0,0|3,0,0]=4 3935 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [0,0,0,1,0,0|3,0,0]=4 3936 B10R1.29 CNCCN1CCNC1=O 2230a_100011207550_200000210301 [0,0,0,1,0,0|2,0,0]=3 3937 B10R1.29 CNCCN1CCNC1=O 2230a_106832991635_100000090651 [0,0,0,1,0,0|2,0,0]=3 3938 B10R1.29 CNCCN1CCNC1=O 7a_106832991635_100000090651 [0,0,0,1,0,0|2,0,0]=3 3939 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [0,0,0,1,0,0|3,0,0]=4 3940 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [0,0,0,1,0,0|3,0,0]=4 3941 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [0,0,0,1,0,0|3,0,0]=4 3942 B10R1.29 COCCN1CCNC1=O 34a_100000216532_200000210301 [0,0,0,1,0,0|2,0,0]=3 3943 B10R1.29 COCNC1CCNC1=O 2230a_100016995588_100000766300 [0,0,0,1,0,0|2,0,0]=3 3944 B10R1.29 COCN[C@@H]1CONC1=O 2230a_100000765999_100000766300 [0,0,0,1,0,0|3,0,0]=4 3945 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,0,0,1,0,0|3,0,0]=4 3946 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,0,0,1,0,0|3,0,0]=4 3947 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,0,0,1,0,0|3,0,0]=4 3948 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,0,0,1,0,0|3,0,0]=4 3949 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,0,0,1,0,0|3,0,0]=4 3950 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,0,0,1,0,0|3,0,0]=4 3951 B10R1.29 CSCCN1CCNC1=O 62a_100000090651_200000210301 [0,0,0,1,0,0|2,0,0]=3 3952 B10R1.29 CSCCN1CCNC1=O 62a_200000210301_100000090651 [0,0,0,1,0,0|2,0,0]=3 3953 B10R1.29 CSCNC1CCNC1=O 2230a_100016995588_100011218213 [0,0,0,1,0,0|2,0,0]=3 3954 B10R1.29 CSCNC1CCNC1=O 34a_100016995588_100011218213 [0,0,0,1,0,0|2,0,0]=3 3955 B10R1.29 CSCN[C@@H]1CONC1=O 2230a_100000765999_100011218213 [0,0,0,1,0,0|3,0,0]=4 3956 B10R1.29 CSCN[C@@H]1CONC1=O 34a_100000765999_100011218213 [0,0,0,1,0,0|3,0,0]=4 3957 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,0,0,1,0,0|3,0,0]=4 3958 B10R1.29 CSCO[C@H]1CCNC1=O 34a_100000688343_100011218213 [0,0,0,1,0,0|2,0,0]=3 3959 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,0,0,1,0,0|3,0,0]=4 3960 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,0,0,1,0,0|3,0,0]=4 3961 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,0,0,1,0,0|3,0,0]=4 3962 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,0,0,1,0,0|3,0,0]=4 3963 B10R1.29 C[C@@H]1CNC[C@@H]1OCC=O 34a_200015306588_200009817547 [0,0,0,1,0,0|3,0,0]=4 3964 B10R1.29 N#CCNC1CCNC1=O 2230a_100016995588_100011215382 [0,0,0,1,0,0|2,0,1]=4 3965 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [0,0,0,1,0,0|3,0,0]=4 3966 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,0,0,1,0,0|3,0,0]=4 3967 B10R1.29 N[C@H]1CCC[C@@H]1OCC=O 34a_100000748460_200009817547 [0,0,0,1,0,0|3,0,0]=4 3968 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [0,0,0,1,0,0|3,0,0]=4 3969 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,0,0,1,0,0|3,0,0]=4 3970 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,0,0,1,0,0|3,0,0]=4 3971 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [0,0,0,1,0,0|3,0,0]=4 3972 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [0,0,0,1,0,0|3,0,0]=4 3973 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,0,0,1,0,0|3,0,0]=4 3974 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [0,0,0,1,0,0|3,0,0]=4 3975 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [0,0,0,1,0,0|3,0,0]=4 3976 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,0,0,1,0,0|3,0,0]=4 3977 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,0,0,1,0,0|3,0,0]=4 3978 B10R1.29 O=C1NCCC1COCF 34a_100000133458_100015361967 [0,0,0,1,0,0|2,0,0]=3 3979 B10R1.29 O=C1NCCC1NCCF 2230a_100016995588_100011217306 [0,0,0,1,0,0|2,0,0]=3 3980 B10R1.29 O=C1NCCC1NCCF 34a_100016995588_100011217306 [0,0,0,1,0,0|2,0,0]=3 3981 B10R1.29 O=C1NCCC1NCCO 2230a_100016995588_100000211926 [0,0,0,1,0,0|2,0,0]=3 3982 B10R1.29 O=C1NCCC1NCCO 34a_100016995588_100000211926 [0,0,0,1,0,0|2,0,0]=3 3983 B10R1.29 O=C1NCC[C@@H]1OCCF 34a_100000688343_100011217306 [0,0,0,1,0,0|2,0,0]=3 3984 B10R1.29 O=C1NCC[C@@H]1OCCO 34a_100000688343_100000211926 [0,0,0,1,0,0|2,0,0]=3 3985 B10R1.29 O=C1NOC[C@H]1NCCF 2230a_100000765999_100011217306 [0,0,0,1,0,0|3,0,0]=4 3986 B10R1.29 O=C1NOC[C@H]1NCCF 34a_100000765999_100011217306 [0,0,0,1,0,0|3,0,0]=4 3987 B10R1.29 O=C1NOC[C@H]1NCCO 2230a_100000765999_100000211926 [0,0,0,1,0,0|3,0,0]=4 3988 B10R1.29 O=C1NOC[C@H]1NCCO 34a_100000765999_100000211926 [0,0,0,1,0,0|3,0,0]=4 3989 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,0,0,1,0,0|3,0,0]=4 3990 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,0,0,1,0,0|3,0,0]=4 3991 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,0,0,1,0,0|3,0,0]=4 3992 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,0,0,1,0,0|3,0,0]=4 3993 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,0,0,1,0,0|3,0,0]=4 3994 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,0,0,1,0,0|3,0,0]=4 3995 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,0,0,1,0,0|3,0,0]=4 3996 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,0,0,1,0,0|3,0,0]=4 3997 B10R1.29 O=CCNC1CCNC1=O 2230a_100016995588_200015260668 [0,0,0,1,0,0|2,0,1]=4 3998 B10R1.29 O=CCNC1CCNC1=O 34a_100016995588_200009817547 [0,0,0,1,0,0|2,0,1]=4 3999 B10R1.29 O=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200009817547 [0,0,0,1,0,0|3,0,0]=4 4000 B10R1.29 O=CCO[C@H]1CCNC1=O 34a_100000688343_200009817547 [0,0,0,1,0,0|2,0,1]=4 4001 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200015260668_200016002552 [0,0,0,1,0,0|3,0,0]=4 4002 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_200015260668 [0,0,0,1,0,0|3,0,0]=4 4003 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [0,0,0,1,0,0|3,0,0]=4 4004 B10R1.29 [13CH3]NCCN1CCNC1=O 2230a_100011207550_200025704644 [0,0,0,1,0,0|2,0,0]=3 4005 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [0,0,0,1,0,0|3,0,0]=4 4006 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [0,0,0,1,0,0|3,0,0]=4 4007 B10R1.29 [13CH3]OCCN1CCNC1=O 34a_100000216532_200025704644 [0,0,0,1,0,0|2,0,0]=3 4008 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,0,0,1,0,0|3,0,0]=4 4009 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,0,0,1,0,0|3,0,0]=4 4010 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_100000090651_200025704644 [0,0,0,1,0,0|2,0,0]=3 4011 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_200025704644_100000090651 [0,0,0,1,0,0|2,0,0]=3 4012 B10R1.37 C=CCCCN1CCC1C 269982a_100000755817_100000757094 [0,0,0,1,0,0|3,0,0]=4 4013 B10R1.37 C=CCCCN1CCC1C 34a_100000755817_100000757094 [0,0,0,1,0,0|3,0,0]=4 4014 B10R1.37 C=COCCN1CCC1C 269982a_100000755817_100000039644 [0,0,0,1,0,0|3,0,0]=4 4015 B10R1.37 C=COCCN1CCC1C 34a_100000755817_100000039644 [0,0,0,1,0,0|3,0,0]=4 4016 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [0,0,0,1,0,0|2,0,0]=3 4017 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,0,0,1,0,0|2,0,0]=3 4018 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,0,0,1,0,0|2,0,0]=3 4019 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,0,0,1,0,0|2,0,0]=3 4020 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,0,0,1,0,0|2,0,0]=3 4021 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,0,0,1,0,0|2,0,0]=3 4022 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,0,0,1,0,0|2,0,0]=3 4023 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,0,0,1,0,0|3,0,0]=4 4024 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,0,0,1,0,0|3,0,0]=4 4025 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,0,0,1,0,0|2,0,0]=3 4026 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,0,0,1,0,0|2,0,0]=3 4027 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,0,0,1,0,0|3,0,0]=4 4028 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,0,0,1,0,0|3,0,0]=4 4029 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,0,0,1,0,0|3,0,0]=4 4030 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,0,0,1,0,0|3,0,0]=4 4031 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,0,0,1,0,0|3,0,0]=4 4032 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,0,0,1,0,0|3,0,0]=4 4033 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,0,0,1,0,0|3,0,0]=4 4034 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,0,0,1,0,0|3,0,0]=4 4035 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,0,0,1,0,0|3,0,0]=4 4036 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,0,0,1,0,0|3,0,0]=4 4037 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,0,0,1,0,0|3,0,0]=4 4038 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,0,0,1,0,0|3,0,0]=4 4039 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,0,0,1,0,0|3,0,0]=4 4040 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,0,0,1,0,0|3,0,0]=4 4041 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,0,0,1,0,0|3,0,0]=4 4042 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,0,0,1,0,0|3,0,0]=4 4043 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,0,0,1,0,0|3,0,0]=4 4044 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,0,0,1,0,0|3,0,0]=4 4045 B10R1.56 C/C=C/COCC1CC1C 34a_100000744939_100102629194 [0,0,0,1,0,0|3,0,0]=4 4046 B10R1.56 C/C=C/COCC1CC1C 7a_100000744939_100102629194 [0,0,0,1,0,0|3,0,0]=4 4047 B10R1.56 C=CCCOCC1CC1C 34a_100000744939_100000754431 [0,0,0,1,0,0|3,0,0]=4 4048 B10R1.56 C=CCCOCC1CC1C 7a_100000744939_100000754431 [0,0,0,1,0,0|3,0,0]=4 4049 B10R1.56 CC=CCOCC1CC1C 34a_100000744939_100000070051 [0,0,0,1,0,0|3,0,0]=4 4050 B10R1.56 CC=CCOCC1CC1C 7a_100000744939_100000070051 [0,0,0,1,0,0|3,0,0]=4 4051 B10R1.56 O=CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200011292268 [0,0,0,1,0,0|3,0,0]=4 4052 B10R1.56 O=CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200011292268 [0,0,0,1,0,0|3,0,0]=4 4053 B10R1.57 C/C=C/CCOC1CCC1 34a_100016278192_100000749161 [0,0,0,1,0,0|3,0,0]=4 4054 B10R1.57 C/C=C/CNCC1CCC1 34a_100000738700_100102629194 [0,0,0,1,0,0|3,0,0]=4 4055 B10R1.57 C/C=C/COCC1CCC1 34a_100000760304_100102629194 [0,0,0,1,0,0|3,0,0]=4 4056 B10R1.57 C/C=C/COCC1CCC1 34a_100016270725_100000763275 [0,0,0,1,0,0|3,0,0]=4 4057 B10R1.57 C/C=C/CSCC1CCC1 62a_100000763275_100102629194 [0,0,0,1,0,0|3,0,0]=4 4058 B10R1.57 C/C=C/CSCC1CCC1 62a_100102629194_100000763275 [0,0,0,1,0,0|3,0,0]=4 4059 B10R1.57 C=CCCCCN1CCC1 269982a_100000754969_100011215482 [0,0,0,1,0,0|3,0,0]=4 4060 B10R1.57 C=CCCCNC1CCC1 2230a_100000749019_100011713584 [0,0,0,1,0,0|3,0,0]=4 4061 B10R1.57 C=CCCCNC1CCC1 270004a_100000700776_100000241760 [0,0,0,1,0,0|3,0,0]=4 4062 B10R1.57 C=CCCCNC1CCC1 34a_100000700776_100000749161 [0,0,0,1,0,0|3,0,0]=4 4063 B10R1.57 C=CCCCNC1CCC1 34a_100000749019_100000757094 [0,0,0,1,0,0|3,0,0]=4 4064 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [0,0,0,1,0,0|3,0,0]=4 4065 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [0,0,0,1,0,0|3,0,0]=4 4066 B10R1.57 C=CCCCSC1CCC1 62a_100011713584_100000749161 [0,0,0,1,0,0|3,0,0]=4 4067 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [0,0,0,1,0,0|3,0,0]=4 4068 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [0,0,0,1,0,0|3,0,0]=4 4069 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [0,0,0,1,0,0|3,0,0]=4 4070 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [0,0,0,1,0,0|3,0,0]=4 4071 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [0,0,0,1,0,0|3,0,0]=4 4072 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [0,0,0,1,0,0|3,0,0]=4 4073 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [0,0,0,1,0,0|3,0,0]=4 4074 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [0,0,0,1,0,0|3,0,0]=4 4075 B10R1.57 C=COCCNC1CCC1 2230a_100000749019_100000039644 [0,0,0,1,0,0|3,0,0]=4 4076 B10R1.57 C=COCCNC1CCC1 34a_100000749019_100000039644 [0,0,0,1,0,0|3,0,0]=4 4077 B10R1.57 C=COCCOC1CCC1 34a_100000033082_100000749161 [0,0,0,1,0,0|3,0,0]=4 4078 B10R1.57 C=COCCOC1CCC1 34a_100000748187_100000039644 [0,0,0,1,0,0|3,0,0]=4 4079 B10R1.57 C=COCCSC1CCC1 62a_100000039644_100000749161 [0,0,0,1,0,0|3,0,0]=4 4080 B10R1.57 CC=CCNCC1CCC1 2230a_100000738700_100000070051 [0,0,0,1,0,0|3,0,0]=4 4081 B10R1.57 CC=CCNCC1CCC1 34a_100000738700_100000070051 [0,0,0,1,0,0|3,0,0]=4 4082 B10R1.57 CC=CCOCC1CCC1 34a_100000760304_100000070051 [0,0,0,1,0,0|3,0,0]=4 4083 B10R1.57 CC=CCSCC1CCC1 62a_100000070051_100000763275 [0,0,0,1,0,0|3,0,0]=4 4084 B10R1.57 CC=CCSCC1CCC1 62a_100000763275_100000070051 [0,0,0,1,0,0|3,0,0]=4 4085 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [0,0,0,1,0,0|2,0,0]=3 4086 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [0,0,0,1,0,0|2,0,0]=3 4087 B10R1.57 O=CCCCNC1COC1 2230a_100016991112_200011292268 [0,0,0,1,0,0|3,0,0]=4 4088 B10R1.57 O=CCCCOC1CSC1 7a_100000072292_200011292268 [0,0,0,1,0,0|3,0,0]=4 4089 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [0,0,0,1,0,0|2,0,0]=3 4090 B10R1.57 O=CCCCSC1COC1 62a_200011292268_100009818527 [0,0,0,1,0,0|3,0,0]=4 4091 B10R1.57 O=CCOCCC1COC1 34a_100009855314_200009817547 [0,0,0,1,0,0|3,0,0]=4 4092 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 4093 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 4094 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 4095 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 4096 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 4097 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 4098 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [0,0,0,1,0,0|3,0,0]=4 4099 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [0,0,0,1,0,0|3,0,0]=4 4100 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [0,0,0,1,0,0|3,0,0]=4 4101 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,0,0,1,0,0|1,0,1]=3 4102 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,0,0,1,0,0|1,0,1]=3 4103 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,0,0,1,0,0|1,0,1]=3 4104 B10R1.85 CCNC1CCCNCC1 270004a_100015525214_100015187895 [0,0,0,1,0,0|2,0,1]=4 4105 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,0,0,1,0,0|2,0,1]=4 4106 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,0,0,1,0,0|2,0,1]=4 4107 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,0,0,1,0,0|2,0,1]=4 4108 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,0,0,1,0,0|2,0,1]=4 4109 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,0,0,1,0,0|2,0,1]=4 4110 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [0,0,0,1,0,0|3,0,0]=4 4111 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [0,0,0,1,0,0|3,0,0]=4 4112 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [0,0,0,1,0,0|3,0,0]=4 4113 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [0,0,0,1,0,0|3,0,0]=4 4114 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [0,0,0,1,0,0|3,0,0]=4 4115 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [0,0,0,1,0,0|3,0,0]=4 4116 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,0,0,1,0,0|3,0,0]=4 4117 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,0,0,1,0,0|3,0,0]=4 4118 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,0,0,1,0,0|3,0,0]=4 4119 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [0,0,0,1,0,0|3,0,0]=4 4120 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [0,0,0,1,0,0|3,0,0]=4 4121 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [0,0,0,1,0,0|1,0,1]=3 4122 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,0,0,1,0,0|2,0,1]=4 4123 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,0,0,1,0,0|2,0,1]=4 4124 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [0,0,0,1,0,0|2,0,1]=4 4125 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [0,0,0,1,0,0|2,0,1]=4 4126 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,0,0,1,0,0|2,0,0]=3 4127 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,0,0,1,0,0|2,0,0]=3 4128 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,0,0,1,0,0|2,0,0]=3 4129 B10R1.85 O=CCN1CCCOCC1 2230a_100000685342_200015260668 [0,0,0,1,0,0|3,0,0]=4 4130 B10R1.85 O=CCN1CCCOCC1 269982a_100000685342_200015260668 [0,0,0,1,0,0|3,0,0]=4 4131 B10R1.85 O=CCN1CCCOCC1 34a_100000685342_200009817547 [0,0,0,1,0,0|3,0,0]=4 4132 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [0,0,0,1,0,0|3,0,0]=4 4133 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [0,0,0,1,0,0|3,0,0]=4 4134 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,0,0,1,0,0|3,0,0]=4 4135 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,0,0,1,0,0|3,0,0]=4 4136 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [0,0,0,1,0,0|3,0,0]=4 4137 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [0,0,0,1,0,0|3,0,0]=4 4138 B10R1.132 COCC1CCN1CC=O 2230a_100015195929_200015260668 [0,0,0,1,0,0|3,0,0]=4 4139 B10R1.132 COCC1CCN1CC=O 269982a_100015195929_200015260668 [0,0,0,1,0,0|3,0,0]=4 4140 B10R1.132 COCC1CCN1CC=O 34a_100015195929_200009817547 [0,0,0,1,0,0|3,0,0]=4 4141 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,0,0,1,0,0|1,0,1]=3 4142 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,0,0,1,0,0|1,0,1]=3 4143 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,0,0,1,0,0|1,0,1]=3 4144 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,0,0,1,0,0|3,0,0]=4 4145 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,0,0,1,0,0|3,0,0]=4 4146 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,0,0,1,0,0|3,0,0]=4 4147 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,0,0,1,0,0|3,0,0]=4 4148 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,0,0,1,0,0|3,0,0]=4 4149 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,0,0,1,0,0|3,0,0]=4 4150 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,0,0,1,0,0|1,0,1]=3 4151 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,0,0,1,0,0|1,0,1]=3 4152 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,0,0,1,0,0|3,0,0]=4 4153 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,0,0,1,0,0|3,0,0]=4 4154 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,0,0,1,0,0|3,0,0]=4 4155 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,0,0,1,0,0|3,0,0]=4 4156 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,0,0,1,0,0|3,0,0]=4 4157 B10R1.177 C/C=C/CCOCC1CC1 34a_100016278192_100000742324 [0,0,0,1,0,0|3,0,0]=4 4158 B10R1.177 C/C=C/CNCCC1CC1 34a_100000764129_100102629194 [0,0,0,1,0,0|3,0,0]=4 4159 B10R1.177 C/C=C/COCCC1CC1 34a_100000754188_100102629194 [0,0,0,1,0,0|3,0,0]=4 4160 B10R1.177 C/C=C/COCCC1CC1 34a_100016270725_100000694398 [0,0,0,1,0,0|3,0,0]=4 4161 B10R1.177 C/C=C/COCCC1CC1 7a_100000754188_100102629194 [0,0,0,1,0,0|3,0,0]=4 4162 B10R1.177 C/C=C/CSCCC1CC1 62a_100000764125_100102629194 [0,0,0,1,0,0|3,0,0]=4 4163 B10R1.177 C/C=C/CSCCC1CC1 62a_100102629194_100000764125 [0,0,0,1,0,0|3,0,0]=4 4164 B10R1.177 C=CCCCCNC1CC1 34a_100000212008_100011215482 [0,0,0,1,0,0|3,0,0]=4 4165 B10R1.177 C=CCCCCNC1CC1 34a_100000703577_100000211595 [0,0,0,1,0,0|3,0,0]=4 4166 B10R1.177 C=CCCCCOC1CC1 34a_100000766645_100000211595 [0,0,0,1,0,0|3,0,0]=4 4167 B10R1.177 C=CCCCCSC1CC1 62a_100011215482_100000211595 [0,0,0,1,0,0|3,0,0]=4 4168 B10R1.177 C=CCCCNCC1CC1 2230a_100000700776_100000742324 [0,0,0,1,0,0|3,0,0]=4 4169 B10R1.177 C=CCCCNCC1CC1 2230a_100000735609_100011713584 [0,0,0,1,0,0|3,0,0]=4 4170 B10R1.177 C=CCCCNCC1CC1 269862a_100000700776_100000741477 [0,0,0,1,0,0|3,0,0]=4 4171 B10R1.177 C=CCCCNCC1CC1 34a_100000700776_100000742324 [0,0,0,1,0,0|3,0,0]=4 4172 B10R1.177 C=CCCCNCC1CC1 34a_100000735609_100000757094 [0,0,0,1,0,0|3,0,0]=4 4173 B10R1.177 C=CCCCOCC1CC1 34a_100000211283_100000757094 [0,0,0,1,0,0|3,0,0]=4 4174 B10R1.177 C=CCCCOCC1CC1 34a_100000758997_100000742324 [0,0,0,1,0,0|3,0,0]=4 4175 B10R1.177 C=CCCCOCC1CC1 7a_100000758997_100000742324 [0,0,0,1,0,0|3,0,0]=4 4176 B10R1.177 C=CCCCSCC1CC1 62a_100000756562_100000757094 [0,0,0,1,0,0|3,0,0]=4 4177 B10R1.177 C=CCCCSCC1CC1 62a_100011713584_100000742324 [0,0,0,1,0,0|3,0,0]=4 4178 B10R1.177 C=CCCNCCC1CC1 2230a_100015191253_100000694398 [0,0,0,1,0,0|3,0,0]=4 4179 B10R1.177 C=CCCNCCC1CC1 34a_100000764129_100000754431 [0,0,0,1,0,0|3,0,0]=4 4180 B10R1.177 C=CCCOCCC1CC1 34a_100000754188_100000754431 [0,0,0,1,0,0|3,0,0]=4 4181 B10R1.177 C=CCCOCCC1CC1 34a_100011205117_100000694398 [0,0,0,1,0,0|3,0,0]=4 4182 B10R1.177 C=CCCOCCC1CC1 7a_100000754188_100000754431 [0,0,0,1,0,0|3,0,0]=4 4183 B10R1.177 C=CCCSCCC1CC1 62a_100000754431_100000764125 [0,0,0,1,0,0|3,0,0]=4 4184 B10R1.177 C=CCCSCCC1CC1 62a_100000764125_100000754431 [0,0,0,1,0,0|3,0,0]=4 4185 B10R1.177 C=COCCCNC1CC1 34a_100000210767_100000211595 [0,0,0,1,0,0|3,0,0]=4 4186 B10R1.177 C=COCCNCC1CC1 2230a_100000735609_100000039644 [0,0,0,1,0,0|3,0,0]=4 4187 B10R1.177 C=COCCNCC1CC1 34a_100000735609_100000039644 [0,0,0,1,0,0|3,0,0]=4 4188 B10R1.177 C=COCCOCC1CC1 34a_100000033082_100000742324 [0,0,0,1,0,0|3,0,0]=4 4189 B10R1.177 C=COCCOCC1CC1 34a_100000211283_100000039644 [0,0,0,1,0,0|3,0,0]=4 4190 B10R1.177 C=COCCSCC1CC1 62a_100000039644_100000742324 [0,0,0,1,0,0|3,0,0]=4 4191 B10R1.177 C=COCCSCC1CC1 62a_100000756562_100000039644 [0,0,0,1,0,0|3,0,0]=4 4192 B10R1.177 CC=CCCCOC1CC1 34a_100020645299_100000211595 [0,0,0,1,0,0|3,0,0]=4 4193 B10R1.177 CC=CCNCCC1CC1 34a_100000764129_100000070051 [0,0,0,1,0,0|3,0,0]=4 4194 B10R1.177 CC=CCOCCC1CC1 34a_100000754188_100000070051 [0,0,0,1,0,0|3,0,0]=4 4195 B10R1.177 CC=CCOCCC1CC1 7a_100000754188_100000070051 [0,0,0,1,0,0|3,0,0]=4 4196 B10R1.177 CC=CCSCCC1CC1 62a_100000070051_100000764125 [0,0,0,1,0,0|3,0,0]=4 4197 B10R1.177 CC=CCSCCC1CC1 62a_100000764125_100000070051 [0,0,0,1,0,0|3,0,0]=4 4198 B10R1.177 O=CCCCCSC1CC1 62a_100000139335_100000211595 [0,0,0,1,0,0|2,0,0]=3 4199 B10R1.177 O=CCCCNCC1CC1 2230a_100000735609_200011292268 [0,0,0,1,0,0|2,0,0]=3 4200 B10R1.177 O=CCCCSCC1CC1 62a_100000756562_200011292268 [0,0,0,1,0,0|2,0,0]=3 4201 B10R1.177 O=CCCCSCC1CC1 62a_200011292268_100000742324 [0,0,0,1,0,0|2,0,0]=3 4202 B10R1.177 O=CCCCSCC1CO1 62a_102125554688_200011292268 [0,0,0,1,0,0|3,0,0]=4 4203 B10R1.177 O=CCCCSCC1CO1 62a_200011292268_102125554688 [0,0,0,1,0,0|3,0,0]=4 4204 B10R1.177 O=CCCCSCC1CS1 62a_100000031435_200011292268 [0,0,0,1,0,0|3,0,0]=4 4205 B10R1.177 O=CCCCSCC1CS1 62a_200011292268_100000031435 [0,0,0,1,0,0|3,0,0]=4 4206 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_100000745022_200011292268 [0,0,0,1,0,0|3,0,0]=4 4207 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_200011292268_100000745022 [0,0,0,1,0,0|3,0,0]=4 4208 B10R1.177 O=CCOCCNC1CC1 34a_100000738766_200009817547 [0,0,0,1,0,0|3,0,0]=4 4209 B10R1.177 O=CCSCCCC1CO1 62a_100000733510_200015260668 [0,0,0,1,0,0|3,0,0]=4 4210 B10R1.177 O=CCSCCCC1CO1 62a_200015260668_100000733510 [0,0,0,1,0,0|3,0,0]=4 4211 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 4212 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 4213 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 4214 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|1,0,1]=4 4215 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 4216 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 4217 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 4218 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 4219 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|1,0,1]=4 4220 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 4221 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 4222 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 4223 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [2,0,0,0,0,0|1,0,1]=4 4224 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [2,0,0,0,0,0|1,0,1]=4 4225 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [2,0,0,0,0,0|1,0,1]=4 4226 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [2,0,0,0,0,0|1,0,1]=4 4227 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 4228 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [2,0,0,0,0,0|1,0,1]=4 4229 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 4230 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 4231 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|1,0,1]=4 4232 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 4233 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [2,0,0,0,0,0|1,0,1]=4 4234 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [2,0,0,0,0,0|1,0,1]=4 4235 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [2,0,0,0,0,0|1,0,1]=4 4236 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|1,0,1]=4 4237 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|1,0,1]=4 4238 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|1,0,1]=4 4239 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|1,0,1]=4 4240 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [2,0,0,0,0,0|1,0,1]=4 4241 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [2,0,0,0,0,0|1,0,1]=4 4242 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [2,0,0,0,0,0|1,0,1]=4 4243 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 4244 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|1,0,1]=4 4245 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 4246 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|1,0,1]=4 4247 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|1,0,1]=4 4248 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|0,0,1]=3 4249 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|0,0,1]=3 4250 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|0,0,1]=3 4251 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|0,0,1]=3 4252 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|0,0,1]=3 4253 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 4254 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,1]=4 4255 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 4256 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 4257 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 4258 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,1]=4 4259 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,1]=4 4260 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,1]=4 4261 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,1]=4 4262 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,1]=4 4263 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,1]=4 4264 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,1]=4 4265 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,1]=4 4266 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,1]=4 4267 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 4268 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 4269 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,1]=4 4270 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,1]=4 4271 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|2,0,0]=4 4272 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|2,0,0]=4 4273 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|1,0,0]=3 4274 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|1,0,0]=3 4275 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,1]=4 4276 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,1]=4 4277 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 4278 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 4279 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 4280 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,1]=4 4281 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,1]=4 4282 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,1]=4 4283 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,1]=4 4284 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|1,0,0]=3 4285 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|1,0,0]=3 4286 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 4287 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 4288 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,1]=4 4289 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 4290 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 4291 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 4292 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|1,0,0]=3 4293 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,1]=4 4294 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,1]=4 4295 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|1,0,1]=4 4296 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|1,0,1]=4 4297 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|1,0,0]=3 4298 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|1,0,0]=3 4299 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,1]=4 4300 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,1]=4 4301 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|2,0,0]=4 4302 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|2,0,0]=4 4303 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|1,0,1]=4 4304 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|1,0,1]=4 4305 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 4306 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 4307 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 4308 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 4309 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 4310 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 4311 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|1,0,0]=3 4312 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,1]=4 4313 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|1,0,1]=4 4314 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|1,0,1]=4 4315 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|1,0,1]=4 4316 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|1,0,1]=4 4317 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|1,0,1]=4 4318 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|1,0,1]=4 4319 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|1,0,1]=4 4320 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [2,0,0,0,0,0|2,0,0]=4 4321 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|2,0,0]=4 4322 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|2,0,0]=4 4323 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,0,1]=4 4324 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,0,1]=4 4325 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [2,0,0,0,0,0|1,0,1]=4 4326 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [2,0,0,0,0,0|1,0,1]=4 4327 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,0]=3 4328 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 4329 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 4330 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,1]=4 4331 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 4332 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|2,0,0]=4 4333 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 4334 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 4335 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 4336 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|2,0,0]=4 4337 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 4338 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|2,0,0]=4 4339 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 4340 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,1]=4 4341 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 4342 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 4343 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 4344 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|1,0,1]=4 4345 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|1,0,1]=4 4346 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 4347 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 4348 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 4349 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [2,0,0,0,0,0|2,0,0]=4 4350 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [2,0,0,0,0,0|2,0,0]=4 4351 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,0,0]=3 4352 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,0,0]=3 4353 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|2,0,0]=4 4354 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|2,0,0]=4 4355 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,0,1]=4 4356 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,0,1]=4 4357 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 4358 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 4359 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|1,0,1]=4 4360 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|1,0,1]=4 4361 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|1,0,1]=4 4362 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|1,0,1]=4 4363 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|1,0,1]=4 4364 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,1]=4 4365 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|1,0,1]=4 4366 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|1,0,1]=4 4367 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [2,0,0,0,0,0|1,0,1]=4 4368 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [2,0,0,0,0,0|1,0,1]=4 4369 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [2,0,0,0,0,0|1,0,1]=4 4370 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 4371 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 4372 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 4373 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 4374 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 4375 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 4376 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 4377 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 4378 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,1]=4 4379 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [2,0,0,0,0,0|2,0,0]=4 4380 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [2,0,0,0,0,0|2,0,0]=4 4381 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [2,0,0,0,0,0|2,0,0]=4 4382 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 4383 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [2,0,0,0,0,0|2,0,0]=4 4384 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [2,0,0,0,0,0|2,0,0]=4 4385 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|1,0,0]=3 4386 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|1,0,0]=3 4387 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 4388 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 4389 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|1,0,1]=4 4390 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|1,0,1]=4 4391 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [2,0,0,0,0,0|2,0,0]=4 4392 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [2,0,0,0,0,0|2,0,0]=4 4393 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [2,0,0,0,0,0|2,0,0]=4 4394 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [2,0,0,0,0,0|2,0,0]=4 4395 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [2,0,0,0,0,0|2,0,0]=4 4396 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [2,0,0,0,0,0|2,0,0]=4 4397 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [2,0,0,0,0,0|2,0,0]=4 4398 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 4399 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [2,0,0,0,0,0|2,0,0]=4 4400 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [2,0,0,0,0,0|2,0,0]=4 4401 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|2,0,0]=4 4402 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [2,0,0,0,0,0|2,0,0]=4 4403 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|2,0,0]=4 4404 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [2,0,0,0,0,0|2,0,0]=4 4405 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [2,0,0,0,0,0|2,0,0]=4 4406 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [2,0,0,0,0,0|2,0,0]=4 4407 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [2,0,0,0,0,0|2,0,0]=4 4408 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [2,0,0,0,0,0|2,0,0]=4 4409 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [2,0,0,0,0,0|2,0,0]=4 4410 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [2,0,0,0,0,0|2,0,0]=4 4411 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [2,0,0,0,0,0|2,0,0]=4 4412 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [2,0,0,0,0,0|2,0,0]=4 4413 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|2,0,0]=4 4414 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|2,0,0]=4 4415 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|1,0,1]=4 4416 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,1]=4 4417 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 4418 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 4419 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 4420 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 4421 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 4422 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 4423 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 4424 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 4425 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|1,0,0]=3 4426 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|1,0,0]=3 4427 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 4428 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 4429 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|1,0,1]=4 4430 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|1,0,1]=4 4431 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,1,0,0,0,0|0,0,2]=4 4432 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,1,0,0,0,0|0,0,2]=4 4433 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,1,0,0,0,0|0,0,2]=4 4434 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [1,1,0,0,0,0|0,0,2]=4 4435 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [1,1,0,0,0,0|0,0,2]=4 4436 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [1,1,0,0,0,0|0,0,2]=4 4437 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [1,1,0,0,0,0|0,0,2]=4 4438 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [1,1,0,0,0,0|2,0,0]=4 4439 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,1,0,0,0,0|2,0,0]=4 4440 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,1,0,0,0,0|2,0,0]=4 4441 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,1,0,0,0,0|2,0,0]=4 4442 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,1,0,0,0,0|2,0,0]=4 4443 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,1,0,0,0,0|2,0,0]=4 4444 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,1,0,0,0,0|2,0,0]=4 4445 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,1,0,0,0,0|2,0,0]=4 4446 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,1,0,0,0,0|2,0,0]=4 4447 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,1,0,0,0,0|2,0,0]=4 4448 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,1,0,0,0,0|2,0,0]=4 4449 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,1,0,0,0,0|2,0,0]=4 4450 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [1,1,0,0,0,0|1,0,1]=4 4451 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [1,1,0,0,0,0|1,0,1]=4 4452 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,1,0,0,0,0|2,0,0]=4 4453 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,1,0,0,0,0|2,0,0]=4 4454 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [1,1,0,0,0,0|2,0,0]=4 4455 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [1,1,0,0,0,0|2,0,0]=4 4456 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [1,1,0,0,0,0|2,0,0]=4 4457 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [1,1,0,0,0,0|2,0,0]=4 4458 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [1,1,0,0,0,0|2,0,0]=4 4459 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [1,1,0,0,0,0|2,0,0]=4 4460 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,1,0,0,0,0|0,0,2]=4 4461 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,1,0,0,0,0|0,0,2]=4 4462 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,1,0,0,0,0|0,0,2]=4 4463 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [1,1,0,0,0,0|2,0,0]=4 4464 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [1,1,0,0,0,0|2,0,0]=4 4465 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,1,0,0,0,0|0,0,2]=4 4466 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,1,0,0,0,0|0,0,2]=4 4467 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,1,0,0,0,0|0,0,2]=4 4468 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,1,0,0,0,0|0,0,2]=4 4469 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [1,1,0,0,0,0|2,0,0]=4 4470 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [1,1,0,0,0,0|2,0,0]=4 4471 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [1,1,0,0,0,0|2,0,0]=4 4472 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [1,1,0,0,0,0|2,0,0]=4 4473 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [1,1,0,0,0,0|2,0,0]=4 4474 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [1,1,0,0,0,0|2,0,0]=4 4475 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [1,1,0,0,0,0|2,0,0]=4 4476 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [1,1,0,0,0,0|2,0,0]=4 4477 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [1,1,0,0,0,0|2,0,0]=4 4478 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [1,1,0,0,0,0|2,0,0]=4 4479 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [1,1,0,0,0,0|2,0,0]=4 4480 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [1,1,0,0,0,0|2,0,0]=4 4481 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [1,1,0,0,0,0|2,0,0]=4 4482 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [1,1,0,0,0,0|2,0,0]=4 4483 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [1,1,0,0,0,0|2,0,0]=4 4484 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [1,1,0,0,0,0|2,0,0]=4 4485 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [1,1,0,0,0,0|2,0,0]=4 4486 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [1,1,0,0,0,0|2,0,0]=4 4487 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [1,1,0,0,0,0|2,0,0]=4 4488 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [1,1,0,0,0,0|2,0,0]=4 4489 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [1,1,0,0,0,0|2,0,0]=4 4490 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [1,1,0,0,0,0|2,0,0]=4 4491 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [1,1,0,0,0,0|2,0,0]=4 4492 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [1,1,0,0,0,0|2,0,0]=4 4493 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [1,1,0,0,0,0|2,0,0]=4 4494 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [1,1,0,0,0,0|2,0,0]=4 4495 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [1,1,0,0,0,0|2,0,0]=4 4496 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [1,1,0,0,0,0|2,0,0]=4 4497 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [1,1,0,0,0,0|2,0,0]=4 4498 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [1,1,0,0,0,0|2,0,0]=4 4499 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [1,1,0,0,0,0|2,0,0]=4 4500 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [1,1,0,0,0,0|2,0,0]=4 4501 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [1,1,0,0,0,0|2,0,0]=4 4502 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [1,1,0,0,0,0|2,0,0]=4 4503 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [1,1,0,0,0,0|2,0,0]=4 4504 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [1,1,0,0,0,0|2,0,0]=4 4505 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [1,1,0,0,0,0|2,0,0]=4 4506 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [1,1,0,0,0,0|2,0,0]=4 4507 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [1,1,0,0,0,0|2,0,0]=4 4508 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [1,1,0,0,0,0|2,0,0]=4 4509 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [1,1,0,0,0,0|2,0,0]=4 4510 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [1,1,0,0,0,0|2,0,0]=4 4511 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [1,1,0,0,0,0|2,0,0]=4 4512 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [1,1,0,0,0,0|2,0,0]=4 4513 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [1,1,0,0,0,0|2,0,0]=4 4514 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [1,1,0,0,0,0|2,0,0]=4 4515 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [1,1,0,0,0,0|2,0,0]=4 4516 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [1,1,0,0,0,0|2,0,0]=4 4517 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [1,1,0,0,0,0|2,0,0]=4 4518 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [1,1,0,0,0,0|2,0,0]=4 4519 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [1,1,0,0,0,0|2,0,0]=4 4520 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [1,1,0,0,0,0|2,0,0]=4 4521 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [1,1,0,0,0,0|2,0,0]=4 4522 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [1,1,0,0,0,0|2,0,0]=4 4523 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [1,1,0,0,0,0|2,0,0]=4 4524 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [1,1,0,0,0,0|2,0,0]=4 4525 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [1,1,0,0,0,0|2,0,0]=4 4526 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [1,1,0,0,0,0|2,0,0]=4 4527 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [1,1,0,0,0,0|2,0,0]=4 4528 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [1,1,0,0,0,0|2,0,0]=4 4529 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [1,1,0,0,0,0|2,0,0]=4 4530 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [1,1,0,0,0,0|2,0,0]=4 4531 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [1,1,0,0,0,0|2,0,0]=4 4532 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,1,0,0,0,0|1,0,1]=4 4533 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|1,0,0]=3 4534 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|1,0,0]=3 4535 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|1,0,0]=3 4536 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,1,0,0,0,0|2,0,0]=4 4537 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,1,0,0,0,0|2,0,0]=4 4538 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,1,0,0,0,0|2,0,0]=4 4539 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|2,0,0]=4 4540 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,1,0,0,0,0|1,0,1]=4 4541 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,1,0,0,0,0|1,0,1]=4 4542 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,1,0,0,0,0|2,0,0]=4 4543 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,1,0,0,0,0|2,0,0]=4 4544 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,1,0,0,0,0|2,0,0]=4 4545 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,1,0,0,0,0|2,0,0]=4 4546 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|2,0,0]=4 4547 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|2,0,0]=4 4548 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,1,0,0,0,0|1,0,1]=4 4549 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,1,0,0,0,0|1,0,1]=4 4550 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,1,0,0,0,0|2,0,0]=4 4551 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,1,0,0,0,0|2,0,0]=4 4552 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|2,0,0]=4 4553 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|2,0,0]=4 4554 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 4555 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 4556 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|2,0,0]=4 4557 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|2,0,0]=4 4558 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,1,0,0,0,0|2,0,0]=4 4559 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,1,0,0,0,0|2,0,0]=4 4560 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|2,0,0]=4 4561 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|2,0,0]=4 4562 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,1,0,0,0,0|2,0,0]=4 4563 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|2,0,0]=4 4564 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [1,1,0,0,0,0|1,0,1]=4 4565 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [1,1,0,0,0,0|1,0,1]=4 4566 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [1,1,0,0,0,0|1,0,1]=4 4567 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [1,1,0,0,0,0|1,0,1]=4 4568 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,1,0,0,0,0|1,0,0]=3 4569 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,1,0,0,0,0|1,0,0]=3 4570 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,1,0,0,0,0|1,0,0]=3 4571 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [1,1,0,0,0,0|2,0,0]=4 4572 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [1,1,0,0,0,0|2,0,0]=4 4573 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [1,1,0,0,0,0|2,0,0]=4 4574 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,1,0,0,0,0|2,0,0]=4 4575 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,1,0,0,0,0|2,0,0]=4 4576 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [1,1,0,0,0,0|2,0,0]=4 4577 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,1,0,0,0,0|2,0,0]=4 4578 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,1,0,0,0,0|2,0,0]=4 4579 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [1,1,0,0,0,0|2,0,0]=4 4580 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [1,1,0,0,0,0|2,0,0]=4 4581 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,1,0,0,0,0|2,0,0]=4 4582 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,1,0,0,0,0|2,0,0]=4 4583 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,1,0,0,0,0|2,0,0]=4 4584 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,1,0,0,0,0|2,0,0]=4 4585 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,1,0,0,0,0|2,0,0]=4 4586 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,1,0,0,0,0|2,0,0]=4 4587 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,1,0,0,0,0|2,0,0]=4 4588 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,1,0,0,0,0|2,0,0]=4 4589 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,1,0,0,0,0|2,0,0]=4 4590 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,1,0,0,0,0|2,0,0]=4 4591 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,1,0,0,0,0|0,0,1]=3 4592 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,1,0,0,0,0|0,0,1]=3 4593 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,1,0,0,0,0|1,0,1]=4 4594 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,1,0,0,0,0|1,0,1]=4 4595 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,1,0,0,0,0|1,0,1]=4 4596 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,1,0,0,0,0|1,0,1]=4 4597 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [1,1,0,0,0,0|1,0,0]=3 4598 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [1,1,0,0,0,0|1,0,0]=3 4599 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [1,1,0,0,0,0|1,0,0]=3 4600 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [1,1,0,0,0,0|1,0,0]=3 4601 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [1,1,0,0,0,0|1,0,0]=3 4602 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [1,1,0,0,0,0|1,0,0]=3 4603 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [1,1,0,0,0,0|1,0,0]=3 4604 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [1,1,0,0,0,0|1,0,1]=4 4605 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [1,1,0,0,0,0|1,0,1]=4 4606 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [1,1,0,0,0,0|1,0,0]=3 4607 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [1,1,0,0,0,0|1,0,0]=3 4608 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [1,1,0,0,0,0|1,0,0]=3 4609 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [1,1,0,0,0,0|2,0,0]=4 4610 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [1,1,0,0,0,0|2,0,0]=4 4611 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [1,1,0,0,0,0|2,0,0]=4 4612 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [1,1,0,0,0,0|2,0,0]=4 4613 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [1,1,0,0,0,0|2,0,0]=4 4614 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [1,1,0,0,0,0|2,0,0]=4 4615 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [1,1,0,0,0,0|2,0,0]=4 4616 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [1,1,0,0,0,0|1,0,0]=3 4617 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [1,1,0,0,0,0|1,0,0]=3 4618 B9R0.2 CC(C)SCCNCC=O 2230a_100000731138_200015260668 [1,1,0,0,0,0|2,0,0]=4 4619 B9R0.2 CC(C)SCCNCC=O 34a_100000731138_200009817547 [1,1,0,0,0,0|2,0,0]=4 4620 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [1,1,0,0,0,0|2,0,0]=4 4621 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [1,1,0,0,0,0|2,0,0]=4 4622 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [1,1,0,0,0,0|2,0,0]=4 4623 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [1,1,0,0,0,0|2,0,0]=4 4624 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [1,1,0,0,0,0|1,0,0]=3 4625 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [1,1,0,0,0,0|1,0,0]=3 4626 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [1,1,0,0,0,0|1,0,0]=3 4627 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [1,1,0,0,0,0|1,0,0]=3 4628 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [1,1,0,0,0,0|1,0,0]=3 4629 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,1,0,0,0,0|0,0,2]=4 4630 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,1,0,0,0,0|0,0,2]=4 4631 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [1,1,0,0,0,0|1,0,1]=4 4632 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,1,0,0,0,0|0,0,2]=4 4633 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,1,0,0,0,0|0,0,2]=4 4634 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,1,0,0,0,0|0,0,2]=4 4635 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,1,0,0,0,0|0,0,2]=4 4636 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|0,0,0]=2 4637 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|0,0,0]=2 4638 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|0,0,0]=2 4639 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,1,0,0,0,0|0,0,1]=3 4640 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,1,0,0,0,0|0,0,1]=3 4641 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,1,0,0,0,0|0,0,1]=3 4642 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,1,0,0,0,0|0,0,1]=3 4643 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,1,0,0,0,0|0,0,1]=3 4644 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,1,0,0,0,0|0,0,1]=3 4645 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|0,0,0]=2 4646 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|0,0,0]=2 4647 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|0,0,0]=2 4648 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|0,0,0]=2 4649 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|1,0,1]=4 4650 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 4651 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 4652 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,1,0,0,0,0|1,0,0]=3 4653 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,1,0,0,0,0|1,0,0]=3 4654 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,0]=3 4655 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,1,0,0,0,0|1,0,0]=3 4656 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,1,0,0,0,0|1,0,0]=3 4657 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,1,0,0,0,0|1,0,0]=3 4658 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,1,0,0,0,0|1,0,0]=3 4659 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,1,0,0,0,0|1,0,0]=3 4660 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [1,1,0,0,0,0|1,0,1]=4 4661 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,1,0,0,0,0|1,0,0]=3 4662 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,1,0,0,0,0|1,0,0]=3 4663 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,1,0,0,0,0|1,0,0]=3 4664 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,1,0,0,0,0|1,0,0]=3 4665 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [1,1,0,0,0,0|1,0,1]=4 4666 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,1,0,0,0,0|1,0,0]=3 4667 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,1,0,0,0,0|1,0,0]=3 4668 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,1,0,0,0,0|1,0,0]=3 4669 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,1,0,0,0,0|1,0,1]=4 4670 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,1,0,0,0,0|2,0,0]=4 4671 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,1,0,0,0,0|1,0,0]=3 4672 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,1,0,0,0,0|1,0,0]=3 4673 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,1,0,0,0,0|1,0,0]=3 4674 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,1,0,0,0,0|1,0,0]=3 4675 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,1,0,0,0,0|1,0,0]=3 4676 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,1,0,0,0,0|1,0,0]=3 4677 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,1,0,0,0,0|1,0,0]=3 4678 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,1,0,0,0,0|1,0,0]=3 4679 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,1,0,0,0,0|1,0,1]=4 4680 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,1,0,0,0,0|1,0,1]=4 4681 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,1,0,0,0,0|1,0,1]=4 4682 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,1,0,0,0,0|2,0,0]=4 4683 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,1,0,0,0,0|1,0,0]=3 4684 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,1,0,0,0,0|1,0,0]=3 4685 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,1,0,0,0,0|1,0,0]=3 4686 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,1,0,0,0,0|1,0,0]=3 4687 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,1,0,0,0,0|1,0,1]=4 4688 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,1,0,0,0,0|2,0,0]=4 4689 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,1,0,0,0,0|2,0,0]=4 4690 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,1,0,0,0,0|1,0,0]=3 4691 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,1,0,0,0,0|2,0,0]=4 4692 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,1,0,0,0,0|1,0,0]=3 4693 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,1,0,0,0,0|1,0,0]=3 4694 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,1,0,0,0,0|1,0,0]=3 4695 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,1,0,0,0,0|1,0,0]=3 4696 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,1,0,0,0,0|1,0,0]=3 4697 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,1,0,0,0,0|1,0,0]=3 4698 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,1,0,0,0,0|1,0,1]=4 4699 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,1,0,0,0,0|1,0,0]=3 4700 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,1,0,0,0,0|1,0,0]=3 4701 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,1,0,0,0,0|1,0,0]=3 4702 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,1,0,0,0,0|1,0,0]=3 4703 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,1,0,0,0,0|1,0,0]=3 4704 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,1,0,0,0,0|2,0,0]=4 4705 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,1,0,0,0,0|2,0,0]=4 4706 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,1,0,0,0,0|2,0,0]=4 4707 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,1,0,0,0,0|1,0,0]=3 4708 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,1,0,0,0,0|1,0,0]=3 4709 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,1,0,0,0,0|1,0,0]=3 4710 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,1,0,0,0,0|1,0,0]=3 4711 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [1,1,0,0,0,0|1,0,1]=4 4712 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,1,0,0,0,0|1,0,0]=3 4713 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,1,0,0,0,0|1,0,0]=3 4714 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,1,0,0,0,0|1,0,0]=3 4715 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,1,0,0,0,0|1,0,0]=3 4716 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,1,0,0,0,0|1,0,0]=3 4717 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,1,0,0,0,0|1,0,0]=3 4718 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,1,0,0,0,0|1,0,0]=3 4719 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,1,0,0,0,0|2,0,0]=4 4720 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,1,0,0,0,0|2,0,0]=4 4721 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,1,0,0,0,0|2,0,0]=4 4722 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,1,0,0,0,0|2,0,0]=4 4723 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,1,0,0,0,0|1,0,0]=3 4724 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|1,0,1]=4 4725 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,1,0,0,0,0|1,0,0]=3 4726 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,1,0,0,0,0|2,0,0]=4 4727 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [1,1,0,0,0,0|2,0,0]=4 4728 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,1,0,0,0,0|2,0,0]=4 4729 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|1,0,0]=3 4730 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,1,0,0,0,0|1,0,0]=3 4731 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,1,0,0,0,0|1,0,0]=3 4732 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [1,1,0,0,0,0|1,0,1]=4 4733 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [1,1,0,0,0,0|1,0,1]=4 4734 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,1,0,0,0,0|1,0,0]=3 4735 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,1,0,0,0,0|1,0,0]=3 4736 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,1,0,0,0,0|1,0,0]=3 4737 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,1,0,0,0,0|1,0,0]=3 4738 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,1,0,0,0,0|1,0,0]=3 4739 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,1,0,0,0,0|2,0,0]=4 4740 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,1,0,0,0,0|2,0,0]=4 4741 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [1,1,0,0,0,0|2,0,0]=4 4742 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [1,1,0,0,0,0|2,0,0]=4 4743 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [1,1,0,0,0,0|2,0,0]=4 4744 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,1,0,0,0,0|2,0,0]=4 4745 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [1,1,0,0,0,0|2,0,0]=4 4746 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [1,1,0,0,0,0|2,0,0]=4 4747 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,1,0,0,0,0|2,0,0]=4 4748 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,1,0,0,0,0|2,0,0]=4 4749 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,1,0,0,0,0|2,0,0]=4 4750 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,1,0,0,0,0|2,0,0]=4 4751 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,1,0,0,0,0|2,0,0]=4 4752 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [1,1,0,0,0,0|2,0,0]=4 4753 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [1,1,0,0,0,0|2,0,0]=4 4754 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [1,1,0,0,0,0|2,0,0]=4 4755 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [1,1,0,0,0,0|2,0,0]=4 4756 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,1,0,0,0,0|2,0,0]=4 4757 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,1,0,0,0,0|2,0,0]=4 4758 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,1,0,0,0,0|2,0,0]=4 4759 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,1,0,0,0,0|2,0,0]=4 4760 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,1,0,0,0,0|1,0,0]=3 4761 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,1,0,0,0,0|1,0,0]=3 4762 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,1,0,0,0,0|1,0,1]=4 4763 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,1,0,0,0,0|2,0,0]=4 4764 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,1,0,0,0,0|2,0,0]=4 4765 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,1,0,0,0,0|2,0,0]=4 4766 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,1,0,0,0,0|2,0,0]=4 4767 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [1,1,0,0,0,0|2,0,0]=4 4768 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [1,1,0,0,0,0|2,0,0]=4 4769 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,1,0,0,0,0|2,0,0]=4 4770 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,1,0,0,0,0|2,0,0]=4 4771 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [1,1,0,0,0,0|2,0,0]=4 4772 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [1,1,0,0,0,0|2,0,0]=4 4773 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [1,1,0,0,0,0|2,0,0]=4 4774 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [1,1,0,0,0,0|2,0,0]=4 4775 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [1,1,0,0,0,0|2,0,0]=4 4776 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [1,1,0,0,0,0|2,0,0]=4 4777 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [1,1,0,0,0,0|2,0,0]=4 4778 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [1,1,0,0,0,0|2,0,0]=4 4779 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [1,1,0,0,0,0|2,0,0]=4 4780 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [1,1,0,0,0,0|1,0,0]=3 4781 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [1,1,0,0,0,0|1,0,0]=3 4782 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,1,0,0,0,0|1,0,1]=4 4783 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,1,0,0,0,0|1,0,1]=4 4784 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,1,0,0,0,0|1,0,1]=4 4785 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,1,0,0,0,0|1,0,1]=4 4786 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [1,1,0,0,0,0|2,0,0]=4 4787 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,1,0,0,0,0|1,0,0]=3 4788 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,1,0,0,0,0|1,0,0]=3 4789 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,1,0,0,0,0|1,0,0]=3 4790 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,1,0,0,0,0|0,0,1]=3 4791 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,1,0,0,0,0|0,0,1]=3 4792 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,1,0,0,0,0|0,0,1]=3 4793 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,1,0,0,0,0|0,0,1]=3 4794 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,1,0,0,0,0|0,0,1]=3 4795 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,1,0,0,0,0|1,0,0]=3 4796 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,1,0,0,0,0|1,0,0]=3 4797 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,1,0,0,0,0|2,0,0]=4 4798 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,1,0,0,0,0|2,0,0]=4 4799 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,1,0,0,0,0|2,0,0]=4 4800 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,1,0,0,0,0|2,0,0]=4 4801 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,1,0,0,0,0|2,0,0]=4 4802 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,1,0,0,0,0|2,0,0]=4 4803 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [1,1,0,0,0,0|2,0,0]=4 4804 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [1,1,0,0,0,0|1,0,1]=4 4805 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [1,1,0,0,0,0|1,0,1]=4 4806 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [1,1,0,0,0,0|1,0,1]=4 4807 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [1,1,0,0,0,0|1,0,1]=4 4808 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [1,1,0,0,0,0|1,0,1]=4 4809 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|1,0,0]=3 4810 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,1,0,0,0,0|1,0,0]=3 4811 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,1,0,0,0,0|1,0,0]=3 4812 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,1,0,0,0,0|1,0,0]=3 4813 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|1,0,0]=3 4814 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,1,0,0,0,0|1,0,0]=3 4815 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,1,0,0,0,0|1,0,1]=4 4816 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,1,0,0,0,0|1,0,1]=4 4817 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,1,0,0,0,0|1,0,1]=4 4818 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,1,0,0,0,0|2,0,0]=4 4819 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,1,0,0,0,0|2,0,0]=4 4820 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,1,0,0,0,0|2,0,0]=4 4821 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,1,0,0,0,0|2,0,0]=4 4822 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,1,0,0,0,0|2,0,0]=4 4823 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,1,0,0,0,0|2,0,0]=4 4824 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,1,0,0,0,0|2,0,0]=4 4825 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,1,0,0,0,0|2,0,0]=4 4826 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [1,1,0,0,0,0|2,0,0]=4 4827 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,1,0,0,0,0|2,0,0]=4 4828 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,1,0,0,0,0|2,0,0]=4 4829 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,1,0,0,0,0|2,0,0]=4 4830 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,1,0,0,0,0|2,0,0]=4 4831 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,1,0,0,0,0|2,0,0]=4 4832 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,1,0,0,0,0|2,0,0]=4 4833 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,1,0,0,0,0|2,0,0]=4 4834 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,1,0,0,0,0|2,0,0]=4 4835 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,1,0,0,0,0|2,0,0]=4 4836 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,1,0,0,0,0|2,0,0]=4 4837 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,1,0,0,0,0|2,0,0]=4 4838 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,1,0,0,0,0|2,0,0]=4 4839 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,1,0,0,0,0|2,0,0]=4 4840 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,1,0,0,0,0|2,0,0]=4 4841 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,1,0,0,0,0|2,0,0]=4 4842 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,1,0,0,0,0|2,0,0]=4 4843 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,1,0,0,0,0|2,0,0]=4 4844 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,1,0,0,0,0|2,0,0]=4 4845 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,1,0,0,0,0|2,0,0]=4 4846 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,1,0,0,0,0|2,0,0]=4 4847 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [1,1,0,0,0,0|2,0,0]=4 4848 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,1,0,0,0,0|2,0,0]=4 4849 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,1,0,0,0,0|2,0,0]=4 4850 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,1,0,0,0,0|2,0,0]=4 4851 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,1,0,0,0,0|2,0,0]=4 4852 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [1,1,0,0,0,0|2,0,0]=4 4853 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [1,1,0,0,0,0|2,0,0]=4 4854 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [1,1,0,0,0,0|2,0,0]=4 4855 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [1,1,0,0,0,0|2,0,0]=4 4856 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [1,1,0,0,0,0|2,0,0]=4 4857 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,1,0,0,0,0|1,0,0]=3 4858 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,1,0,0,0,0|1,0,0]=3 4859 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,1,0,0,0,0|1,0,1]=4 4860 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,1,0,0,0,0|1,0,1]=4 4861 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,1,0,0,0,0|2,0,0]=4 4862 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,1,0,0,0,0|2,0,0]=4 4863 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,1,0,0,0,0|2,0,0]=4 4864 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,1,0,0,0,0|2,0,0]=4 4865 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [1,1,0,0,0,0|2,0,0]=4 4866 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [1,1,0,0,0,0|2,0,0]=4 4867 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [1,1,0,0,0,0|2,0,0]=4 4868 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [1,1,0,0,0,0|2,0,0]=4 4869 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [1,1,0,0,0,0|2,0,0]=4 4870 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,1,0,0,0,0|2,0,0]=4 4871 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,1,0,0,0,0|2,0,0]=4 4872 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,1,0,0,0,0|2,0,0]=4 4873 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [1,1,0,0,0,0|2,0,0]=4 4874 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [1,1,0,0,0,0|2,0,0]=4 4875 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [1,1,0,0,0,0|2,0,0]=4 4876 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [1,1,0,0,0,0|2,0,0]=4 4877 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,1,0,0,0,0|2,0,0]=4 4878 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,1,0,0,0,0|2,0,0]=4 4879 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,1,0,0,0,0|2,0,0]=4 4880 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,1,0,0,0,0|2,0,0]=4 4881 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [1,1,0,0,0,0|2,0,0]=4 4882 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [1,1,0,0,0,0|2,0,0]=4 4883 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [1,1,0,0,0,0|2,0,0]=4 4884 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,1,0,0,0,0|2,0,0]=4 4885 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [1,1,0,0,0,0|2,0,0]=4 4886 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [1,1,0,0,0,0|2,0,0]=4 4887 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,1,0,0,0,0|2,0,0]=4 4888 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,1,0,0,0,0|2,0,0]=4 4889 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [1,1,0,0,0,0|2,0,0]=4 4890 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [1,1,0,0,0,0|2,0,0]=4 4891 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [1,1,0,0,0,0|2,0,0]=4 4892 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [1,1,0,0,0,0|2,0,0]=4 4893 B9R0.2 CSCSCCNC(=O)N 62a_100011218213_200000034859 [1,1,0,0,0,0|2,0,0]=4 4894 B9R0.2 CSCSCCNC(=O)N 62a_200000034859_100011218213 [1,1,0,0,0,0|2,0,0]=4 4895 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [1,1,0,0,0,0|1,0,0]=3 4896 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [1,1,0,0,0,0|1,0,0]=3 4897 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,1,0,0,0,0|2,0,0]=4 4898 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 4899 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 4900 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,1,0,0,0,0|2,0,0]=4 4901 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,1,0,0,0,0|2,0,0]=4 4902 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,1,0,0,0,0|2,0,0]=4 4903 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,1,0,0,0,0|2,0,0]=4 4904 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,1,0,0,0,0|2,0,0]=4 4905 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,1,0,0,0,0|2,0,0]=4 4906 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,1,0,0,0,0|2,0,0]=4 4907 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,1,0,0,0,0|2,0,0]=4 4908 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,1,0,0,0,0|2,0,0]=4 4909 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [1,1,0,0,0,0|2,0,0]=4 4910 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [1,1,0,0,0,0|2,0,0]=4 4911 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [1,1,0,0,0,0|2,0,0]=4 4912 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [1,1,0,0,0,0|2,0,0]=4 4913 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [1,1,0,0,0,0|2,0,0]=4 4914 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [1,1,0,0,0,0|2,0,0]=4 4915 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [1,1,0,0,0,0|2,0,0]=4 4916 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,1,0,0,0,0|2,0,0]=4 4917 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,1,0,0,0,0|2,0,0]=4 4918 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,1,0,0,0,0|2,0,0]=4 4919 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,1,0,0,0,0|2,0,0]=4 4920 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,1,0,0,0,0|2,0,0]=4 4921 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,1,0,0,0,0|2,0,0]=4 4922 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,1,0,0,0,0|2,0,0]=4 4923 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,1,0,0,0,0|2,0,0]=4 4924 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,1,0,0,0,0|2,0,0]=4 4925 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,1,0,0,0,0|2,0,0]=4 4926 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [1,1,0,0,0,0|2,0,0]=4 4927 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [1,1,0,0,0,0|2,0,0]=4 4928 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [1,1,0,0,0,0|2,0,0]=4 4929 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [1,1,0,0,0,0|2,0,0]=4 4930 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [1,1,0,0,0,0|2,0,0]=4 4931 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [1,1,0,0,0,0|2,0,0]=4 4932 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [1,1,0,0,0,0|2,0,0]=4 4933 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [1,1,0,0,0,0|2,0,0]=4 4934 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,1,0,0,0,0|2,0,0]=4 4935 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,1,0,0,0,0|2,0,0]=4 4936 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [1,1,0,0,0,0|2,0,0]=4 4937 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [1,1,0,0,0,0|2,0,0]=4 4938 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [1,1,0,0,0,0|2,0,0]=4 4939 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [1,1,0,0,0,0|2,0,0]=4 4940 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [1,1,0,0,0,0|2,0,0]=4 4941 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [1,1,0,0,0,0|2,0,0]=4 4942 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [1,1,0,0,0,0|2,0,0]=4 4943 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [1,1,0,0,0,0|2,0,0]=4 4944 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [1,1,0,0,0,0|2,0,0]=4 4945 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,1,0,0,0,0|2,0,0]=4 4946 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,1,0,0,0,0|2,0,0]=4 4947 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,1,0,0,0,0|2,0,0]=4 4948 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,1,0,0,0,0|2,0,0]=4 4949 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,1,0,0,0,0|2,0,0]=4 4950 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,1,0,0,0,0|2,0,0]=4 4951 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,1,0,0,0,0|2,0,0]=4 4952 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [1,1,0,0,0,0|2,0,0]=4 4953 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [1,1,0,0,0,0|2,0,0]=4 4954 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [1,1,0,0,0,0|2,0,0]=4 4955 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [1,1,0,0,0,0|2,0,0]=4 4956 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [1,1,0,0,0,0|2,0,0]=4 4957 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [1,1,0,0,0,0|2,0,0]=4 4958 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,1,0,0,0,0|2,0,0]=4 4959 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,1,0,0,0,0|2,0,0]=4 4960 B9R0.2 O=CCCCSCC(F)F 62a_100011934356_200011292268 [1,1,0,0,0,0|2,0,0]=4 4961 B9R0.2 O=CCCCSCC(F)F 62a_200011292268_100011934356 [1,1,0,0,0,0|2,0,0]=4 4962 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|1,0,0]=3 4963 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,1,0,0,0,0|1,0,0]=3 4964 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,1,0,0,0,0|1,0,0]=3 4965 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,1,0,0,0,0|1,0,0]=3 4966 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,1,0,0,0,0|1,0,0]=3 4967 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,1,0,0,0,0|1,0,0]=3 4968 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,1,0,0,0,0|1,0,1]=4 4969 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,1,0,0,0,0|1,0,1]=4 4970 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [1,1,0,0,0,0|2,0,0]=4 4971 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [1,1,0,0,0,0|2,0,0]=4 4972 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|1,0,1]=4 4973 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|1,0,1]=4 4974 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [1,1,0,0,0,0|2,0,0]=4 4975 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [1,1,0,0,0,0|2,0,0]=4 4976 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [1,1,0,0,0,0|2,0,0]=4 4977 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [1,1,0,0,0,0|2,0,0]=4 4978 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [1,1,0,0,0,0|2,0,0]=4 4979 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [1,1,0,0,0,0|2,0,0]=4 4980 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [1,1,0,0,0,0|2,0,0]=4 4981 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [1,1,0,0,0,0|2,0,0]=4 4982 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [1,1,0,0,0,0|2,0,0]=4 4983 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [1,1,0,0,0,0|2,0,0]=4 4984 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [1,1,0,0,0,0|2,0,0]=4 4985 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [1,1,0,0,0,0|2,0,0]=4 4986 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [1,1,0,0,0,0|2,0,0]=4 4987 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [1,1,0,0,0,0|2,0,0]=4 4988 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [1,1,0,0,0,0|2,0,0]=4 4989 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [1,1,0,0,0,0|2,0,0]=4 4990 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [1,1,0,0,0,0|2,0,0]=4 4991 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [1,1,0,0,0,0|2,0,0]=4 4992 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [1,1,0,0,0,0|2,0,0]=4 4993 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [1,1,0,0,0,0|2,0,0]=4 4994 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [1,1,0,0,0,0|2,0,0]=4 4995 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [1,1,0,0,0,0|2,0,0]=4 4996 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [1,1,0,0,0,0|2,0,0]=4 4997 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [1,1,0,0,0,0|2,0,0]=4 4998 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [1,1,0,0,0,0|2,0,0]=4 4999 B9R0.5 CC(CCN)COCC=O 34a_106354213184_200009817547 [1,1,0,0,0,0|2,0,0]=4 5000 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [1,1,0,0,0,0|1,0,1]=4 5001 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [1,1,0,0,0,0|1,0,1]=4 5002 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,1,0,0,0,0|1,0,1]=4 5003 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,1,0,0,0,0|1,0,1]=4 5004 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,1,0,0,0,0|1,0,1]=4 5005 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,1,0,0,0,0|1,0,1]=4 5006 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [1,1,0,0,0,0|1,0,0]=3 5007 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [1,1,0,0,0,0|1,0,0]=3 5008 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [1,1,0,0,0,0|1,0,0]=3 5009 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [1,1,0,0,0,0|1,0,0]=3 5010 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|0,0,2]=4 5011 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|0,0,2]=4 5012 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|0,0,2]=4 5013 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|1,0,1]=4 5014 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|1,0,1]=4 5015 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|1,0,1]=4 5016 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,1,0,0,0,0|1,0,0]=3 5017 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,1,0,0,0,0|1,0,0]=3 5018 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [1,1,0,0,0,0|1,0,0]=3 5019 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [1,1,0,0,0,0|1,0,0]=3 5020 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [1,1,0,0,0,0|1,0,0]=3 5021 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [1,1,0,0,0,0|2,0,0]=4 5022 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [1,1,0,0,0,0|2,0,0]=4 5023 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [1,1,0,0,0,0|2,0,0]=4 5024 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [1,1,0,0,0,0|2,0,0]=4 5025 B9R0.5 COCC(N)COCC=O 34a_100000724102_200009817547 [1,1,0,0,0,0|2,0,0]=4 5026 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [1,1,0,0,0,0|2,0,0]=4 5027 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [1,1,0,0,0,0|2,0,0]=4 5028 B9R0.5 COCC(O)CSCC=O 62a_100011215053_200015260668 [1,1,0,0,0,0|2,0,0]=4 5029 B9R0.5 COCC(O)CSCC=O 62a_200015260668_100011215053 [1,1,0,0,0,0|2,0,0]=4 5030 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [1,1,0,0,0,0|2,0,0]=4 5031 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [1,1,0,0,0,0|2,0,0]=4 5032 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|1,0,1]=4 5033 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|1,0,1]=4 5034 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [1,1,0,0,0,0|2,0,0]=4 5035 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [1,1,0,0,0,0|2,0,0]=4 5036 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [1,1,0,0,0,0|2,0,0]=4 5037 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [1,1,0,0,0,0|2,0,0]=4 5038 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [1,1,0,0,0,0|2,0,0]=4 5039 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [1,1,0,0,0,0|2,0,0]=4 5040 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [1,1,0,0,0,0|2,0,0]=4 5041 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [1,1,0,0,0,0|2,0,0]=4 5042 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [1,1,0,0,0,0|2,0,0]=4 5043 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [1,1,0,0,0,0|2,0,0]=4 5044 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [1,1,0,0,0,0|2,0,0]=4 5045 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [1,1,0,0,0,0|2,0,0]=4 5046 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [1,1,0,0,0,0|2,0,0]=4 5047 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [1,1,0,0,0,0|2,0,0]=4 5048 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [1,1,0,0,0,0|2,0,0]=4 5049 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [1,1,0,0,0,0|2,0,0]=4 5050 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [1,1,0,0,0,0|2,0,0]=4 5051 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [1,1,0,0,0,0|1,0,0]=3 5052 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [1,1,0,0,0,0|1,0,0]=3 5053 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [1,1,0,0,0,0|1,0,0]=3 5054 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [1,1,0,0,0,0|1,0,0]=3 5055 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [1,1,0,0,0,0|1,0,0]=3 5056 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [1,1,0,0,0,0|2,0,0]=4 5057 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [1,1,0,0,0,0|2,0,0]=4 5058 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,1,0,0,0,0|1,0,1]=4 5059 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [1,1,0,0,0,0|2,0,0]=4 5060 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [1,1,0,0,0,0|2,0,0]=4 5061 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [1,1,0,0,0,0|2,0,0]=4 5062 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [1,1,0,0,0,0|2,0,0]=4 5063 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [1,1,0,0,0,0|2,0,0]=4 5064 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [1,1,0,0,0,0|2,0,0]=4 5065 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [1,1,0,0,0,0|2,0,0]=4 5066 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [1,1,0,0,0,0|2,0,0]=4 5067 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [1,1,0,0,0,0|2,0,0]=4 5068 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [1,1,0,0,0,0|2,0,0]=4 5069 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|1,0,1]=4 5070 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|1,0,1]=4 5071 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [1,1,0,0,0,0|2,0,0]=4 5072 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [1,1,0,0,0,0|2,0,0]=4 5073 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [1,1,0,0,0,0|2,0,0]=4 5074 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [1,1,0,0,0,0|2,0,0]=4 5075 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [1,1,0,0,0,0|2,0,0]=4 5076 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [1,1,0,0,0,0|2,0,0]=4 5077 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [1,1,0,0,0,0|2,0,0]=4 5078 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [1,1,0,0,0,0|2,0,0]=4 5079 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [1,1,0,0,0,0|2,0,0]=4 5080 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [1,1,0,0,0,0|2,0,0]=4 5081 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [1,1,0,0,0,0|2,0,0]=4 5082 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [1,1,0,0,0,0|2,0,0]=4 5083 B9R0.46 C=CCCNCC(C)CC 2230a_100015191253_100000748023 [1,1,0,0,0,0|2,0,0]=4 5084 B9R0.46 C=CCCNCC(C)CC 2230a_100020588543_100000754431 [1,1,0,0,0,0|2,0,0]=4 5085 B9R0.46 C=CCCNCC(C)CC 270004a_100015191253_100000243153 [1,1,0,0,0,0|2,0,0]=4 5086 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [1,1,0,0,0,0|2,0,0]=4 5087 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [1,1,0,0,0,0|2,0,0]=4 5088 B9R0.46 C=CCCNC[C@@H](C)CC 2230a_100015191253_100009816398 [1,1,0,0,0,0|2,0,0]=4 5089 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [1,1,0,0,0,0|2,0,0]=4 5090 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [1,1,0,0,0,0|2,0,0]=4 5091 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [1,1,0,0,0,0|2,0,0]=4 5092 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [1,1,0,0,0,0|2,0,0]=4 5093 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [1,1,0,0,0,0|2,0,0]=4 5094 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [1,1,0,0,0,0|2,0,0]=4 5095 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [1,1,0,0,0,0|2,0,0]=4 5096 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [1,1,0,0,0,0|2,0,0]=4 5097 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [1,1,0,0,0,0|2,0,0]=4 5098 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [1,1,0,0,0,0|2,0,0]=4 5099 B9R0.46 C=CCNCCC(C)CC 2230a_100020591266_100000210623 [1,1,0,0,0,0|2,0,0]=4 5100 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [1,1,0,0,0,0|2,0,0]=4 5101 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|2,0,0]=4 5102 B9R0.46 CC(CF)OCCCC=O 7a_100016041109_200011292268 [1,1,0,0,0,0|2,0,0]=4 5103 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [1,1,0,0,0,0|2,0,0]=4 5104 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [1,1,0,0,0,0|2,0,0]=4 5105 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [1,1,0,0,0,0|2,0,0]=4 5106 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [1,1,0,0,0,0|1,0,0]=3 5107 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [1,1,0,0,0,0|1,0,0]=3 5108 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [1,1,0,0,0,0|1,0,0]=3 5109 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [1,1,0,0,0,0|1,0,0]=3 5110 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [1,1,0,0,0,0|1,0,1]=4 5111 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [1,1,0,0,0,0|1,0,0]=3 5112 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [1,1,0,0,0,0|1,0,0]=3 5113 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,1,0,0,0,0|0,0,2]=4 5114 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,1,0,0,0,0|0,0,2]=4 5115 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,1,0,0,0,0|0,0,2]=4 5116 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,1,0,0,0,0|0,0,2]=4 5117 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,1,0,0,0,0|0,0,1]=3 5118 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,1,0,0,0,0|0,0,1]=3 5119 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,1,0,0,0,0|0,0,1]=3 5120 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,1,0,0,0,0|0,0,1]=3 5121 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,1,0,0,0,0|0,0,1]=3 5122 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,1,0,0,0,0|0,0,1]=3 5123 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,1,0,0,0,0|0,0,1]=3 5124 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,1,0,0,0,0|0,0,1]=3 5125 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,1,0,0,0,0|1,0,1]=4 5126 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,1,0,0,0,0|1,0,1]=4 5127 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,1,0,0,0,0|1,0,1]=4 5128 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,1,0,0,0,0|1,0,1]=4 5129 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,1,0,0,0,0|1,0,1]=4 5130 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,1,0,0,0,0|1,0,1]=4 5131 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,1,0,0,0,0|1,0,1]=4 5132 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,1,0,0,0,0|1,0,1]=4 5133 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,1,0,0,0,0|1,0,1]=4 5134 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,1,0,0,0,0|1,0,1]=4 5135 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,1,0,0,0,0|1,0,1]=4 5136 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,1,0,0,0,0|1,0,1]=4 5137 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,1,0,0,0,0|1,0,1]=4 5138 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [1,1,0,0,0,0|1,0,1]=4 5139 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [1,1,0,0,0,0|1,0,0]=3 5140 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [1,1,0,0,0,0|1,0,0]=3 5141 B9R0.46 COC(C)CCOCC=O 7a_100000764861_200015260668 [1,1,0,0,0,0|2,0,0]=4 5142 B9R0.46 COC(C)SCCCC=O 62a_100009879195_200011292268 [1,1,0,0,0,0|2,0,0]=4 5143 B9R0.46 COC(C)SCCCC=O 62a_200011292268_100009879195 [1,1,0,0,0,0|2,0,0]=4 5144 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [1,1,0,0,0,0|2,0,0]=4 5145 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [1,1,0,0,0,0|2,0,0]=4 5146 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [1,1,0,0,0,0|2,0,0]=4 5147 B11R0.2 CC(C)CC(C)NCCCC=O 2230a_100000692259_200011292268 [0,2,0,0,0,0|2,0,0]=4 5148 B11R0.2 CC(C)CC(C)OCCCC=O 7a_100000211805_200011292268 [0,2,0,0,0,0|2,0,0]=4 5149 B11R0.2 CC(C)CC(C)SCCCC=O 62a_100000731052_200011292268 [0,2,0,0,0,0|2,0,0]=4 5150 B11R0.2 CC(C)CC(C)SCCCC=O 62a_200011292268_100000731052 [0,2,0,0,0,0|2,0,0]=4 5151 B11R0.2 CC(C)CN(C)CCCCC=O 2230a_100000747067_100000139335 [0,2,0,0,0,0|2,0,0]=4 5152 B11R0.2 CC(C)CN(C)CCCCC=O 269982a_100000747067_100000139335 [0,2,0,0,0,0|2,0,0]=4 5153 B11R0.2 CC(C)C[C@H](N)CCOCC=O 34a_100161151251_200009817547 [0,2,0,0,0,0|2,0,0]=4 5154 B11R0.2 CC(O)CN(C)CCCCC=O 2230a_100000227577_100000139335 [0,2,0,0,0,0|2,0,0]=4 5155 B11R0.2 CC(O)CN(C)CCCCC=O 269982a_100000227577_100000139335 [0,2,0,0,0,0|2,0,0]=4 5156 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,2,0,0,0,0|1,0,1]=4 5157 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,2,0,0,0,0|1,0,1]=4 5158 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,2,0,0,0,0|1,0,1]=4 5159 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,2,0,0,0,0|0,0,0]=2 5160 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,2,0,0,0,0|0,0,0]=2 5161 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,2,0,0,0,0|0,0,0]=2 5162 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,2,0,0,0,0|0,0,0]=2 5163 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100000210919_100000210206 [0,2,0,0,0,0|1,0,1]=4 5164 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100138425928_100011215978 [0,2,0,0,0,0|1,0,1]=4 5165 B11R0.2 CCCCCCC(C)NC(C)C 34a_100000210919_100000210206 [0,2,0,0,0,0|1,0,1]=4 5166 B11R0.2 CCCCCCC(C)NC(C)C 34a_100138425928_100011215978 [0,2,0,0,0,0|1,0,1]=4 5167 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [0,2,0,0,0,0|2,0,0]=4 5168 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [0,2,0,0,0,0|2,0,0]=4 5169 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [0,2,0,0,0,0|2,0,0]=4 5170 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,2,0,0,0,0|2,0,0]=4 5171 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [0,2,0,0,0,0|2,0,0]=4 5172 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,2,0,0,0,0|2,0,0]=4 5173 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,2,0,0,0,0|2,0,0]=4 5174 B11R0.2 CCCCNCC(=O)NC(=O)C 7a_106832991798_100000183797 [0,2,0,0,0,0|1,0,1]=4 5175 B11R0.2 CCCCNCC(=O)NC(=O)N 2230a_100000102301_100000182717 [0,2,0,0,0,0|1,0,1]=4 5176 B11R0.2 CCCCNCC(=O)NC(=O)N 7a_106832991798_100000182717 [0,2,0,0,0,0|1,0,1]=4 5177 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,2,0,0,0,0|2,0,0]=4 5178 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [0,2,0,0,0,0|1,0,1]=4 5179 B11R0.2 CCCCOCC(=O)NC(=O)N 7a_100000210227_100000182717 [0,2,0,0,0,0|1,0,1]=4 5180 B11R0.2 CCCCSCC(=O)NC(=O)C 62a_100000210211_100000183797 [0,2,0,0,0,0|1,0,1]=4 5181 B11R0.2 CCCCSCC(=O)NC(=O)N 62a_100000210211_100000182717 [0,2,0,0,0,0|1,0,1]=4 5182 B11R0.2 CCCSCCC(=O)NC(=O)N 62a_100000210303_100000237605 [0,2,0,0,0,0|1,0,1]=4 5183 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000225692_100000210681 [0,2,0,0,0,0|1,0,1]=4 5184 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000228206_100000038162 [0,2,0,0,0,0|1,0,1]=4 5185 B11R0.4 C#CCN(C)CCCCCCC 34a_100000225692_100000210614 [0,2,0,0,0,0|1,0,1]=4 5186 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [0,2,0,0,0,0|2,0,0]=4 5187 B11R0.4 C/C=C/CCOCC(C)CCC 34a_100016278192_100011216630 [0,2,0,0,0,0|2,0,0]=4 5188 B11R0.4 C/C=C/COCCC(C)CCC 34a_100011217855_100102629194 [0,2,0,0,0,0|2,0,0]=4 5189 B11R0.4 C/C=C/COCCC(C)CCC 7a_100011217855_100102629194 [0,2,0,0,0,0|2,0,0]=4 5190 B11R0.4 C/C=C/COCC[C@@H](N)CCC 34a_100015193777_100102629194 [0,2,0,0,0,0|2,0,0]=4 5191 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,2,0,0,0,0|2,0,0]=4 5192 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,2,0,0,0,0|2,0,0]=4 5193 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [0,2,0,0,0,0|2,0,0]=4 5194 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [0,2,0,0,0,0|2,0,0]=4 5195 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,2,0,0,0,0|2,0,0]=4 5196 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,2,0,0,0,0|2,0,0]=4 5197 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [0,2,0,0,0,0|2,0,0]=4 5198 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [0,2,0,0,0,0|2,0,0]=4 5199 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [0,2,0,0,0,0|2,0,0]=4 5200 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [0,2,0,0,0,0|2,0,0]=4 5201 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [0,2,0,0,0,0|2,0,0]=4 5202 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [0,2,0,0,0,0|2,0,0]=4 5203 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [0,2,0,0,0,0|2,0,0]=4 5204 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [0,2,0,0,0,0|2,0,0]=4 5205 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [0,2,0,0,0,0|2,0,0]=4 5206 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [0,2,0,0,0,0|2,0,0]=4 5207 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [0,2,0,0,0,0|2,0,0]=4 5208 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [0,2,0,0,0,0|2,0,0]=4 5209 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [0,2,0,0,0,0|2,0,0]=4 5210 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [0,2,0,0,0,0|2,0,0]=4 5211 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [0,2,0,0,0,0|2,0,0]=4 5212 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [0,2,0,0,0,0|2,0,0]=4 5213 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [0,2,0,0,0,0|2,0,0]=4 5214 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [0,2,0,0,0,0|2,0,0]=4 5215 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [0,2,0,0,0,0|2,0,0]=4 5216 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [0,2,0,0,0,0|2,0,0]=4 5217 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [0,2,0,0,0,0|2,0,0]=4 5218 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [0,2,0,0,0,0|2,0,0]=4 5219 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [0,2,0,0,0,0|2,0,0]=4 5220 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [0,2,0,0,0,0|2,0,0]=4 5221 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [0,2,0,0,0,0|2,0,0]=4 5222 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [0,2,0,0,0,0|1,0,0]=3 5223 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [0,2,0,0,0,0|1,0,0]=3 5224 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [0,2,0,0,0,0|1,0,0]=3 5225 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [0,2,0,0,0,0|1,0,0]=3 5226 B11R0.4 C=CCN(C)CCCCCCF 2230a_100000225617_100015922095 [0,2,0,0,0,0|2,0,0]=4 5227 B11R0.4 C=CCN(C)CCCCCCF 269982a_100000225617_100015922095 [0,2,0,0,0,0|2,0,0]=4 5228 B11R0.4 C=CCN(C)CCCCCCO 2230a_100000225617_100000766143 [0,2,0,0,0,0|2,0,0]=4 5229 B11R0.4 C=CCN(C)CCCCCCO 269982a_100000225617_100000766143 [0,2,0,0,0,0|2,0,0]=4 5230 B11R0.4 C=CCN(C)CCOCCCC 2230a_100000225617_100000743108 [0,2,0,0,0,0|2,0,0]=4 5231 B11R0.4 C=CCN(C)CCOCCCC 269982a_100000225617_100000743108 [0,2,0,0,0,0|2,0,0]=4 5232 B11R0.4 C=CCOCCCC(C)CCC 34a_100011713154_100015514636 [0,2,0,0,0,0|2,0,0]=4 5233 B11R0.4 C=CCOCCCC(C)CCC 7a_100011713154_100015514636 [0,2,0,0,0,0|2,0,0]=4 5234 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [0,2,0,0,0,0|2,0,0]=4 5235 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [0,2,0,0,0,0|2,0,0]=4 5236 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [0,2,0,0,0,0|2,0,0]=4 5237 B11R0.4 C=COCCCNC(C)CCC 2230a_100000210767_100000766640 [0,2,0,0,0,0|2,0,0]=4 5238 B11R0.4 C=COCCCNC(C)CCC 270004a_100000210767_100000211909 [0,2,0,0,0,0|2,0,0]=4 5239 B11R0.4 C=COCCCNC(C)CCC 34a_100000210767_100000766640 [0,2,0,0,0,0|2,0,0]=4 5240 B11R0.4 C=COCCOCC(C)CCC 34a_100000033082_100011216630 [0,2,0,0,0,0|2,0,0]=4 5241 B11R0.4 C=COCCOCC(C)CCC 34a_100000688023_100000039644 [0,2,0,0,0,0|2,0,0]=4 5242 B11R0.4 C=COCCOCC(C)CCC 7a_100000688023_100000039644 [0,2,0,0,0,0|2,0,0]=4 5243 B11R0.4 C=COCCOC[C@@H](N)CCC 34a_100000732646_100000039644 [0,2,0,0,0,0|2,0,0]=4 5244 B11R0.4 C=COCCSCC(C)CCC 62a_100000039644_100011216630 [0,2,0,0,0,0|2,0,0]=4 5245 B11R0.4 C=COCCSCC(C)CCC 62a_100011216630_100000039644 [0,2,0,0,0,0|2,0,0]=4 5246 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [0,2,0,0,0,0|2,0,0]=4 5247 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [0,2,0,0,0,0|2,0,0]=4 5248 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,2,0,0,0,0|2,0,0]=4 5249 B11R0.4 CC=CCCCOC(C)CCC 34a_100020645299_100000766640 [0,2,0,0,0,0|2,0,0]=4 5250 B11R0.4 CC=CCOCCC(C)CCC 34a_100011217855_100000070051 [0,2,0,0,0,0|2,0,0]=4 5251 B11R0.4 CC=CCOCCC(C)CCC 7a_100011217855_100000070051 [0,2,0,0,0,0|2,0,0]=4 5252 B11R0.4 CC=CCOCC[C@@H](N)CCC 34a_100015193777_100000070051 [0,2,0,0,0,0|2,0,0]=4 5253 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,2,0,0,0,0|1,0,1]=4 5254 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,2,0,0,0,0|1,0,1]=4 5255 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [0,2,0,0,0,0|1,0,0]=3 5256 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [0,2,0,0,0,0|1,0,0]=3 5257 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [0,2,0,0,0,0|1,0,0]=3 5258 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [0,2,0,0,0,0|1,0,0]=3 5259 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [0,2,0,0,0,0|1,0,0]=3 5260 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [0,2,0,0,0,0|1,0,0]=3 5261 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [0,2,0,0,0,0|1,0,0]=3 5262 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [0,2,0,0,0,0|1,0,0]=3 5263 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [0,2,0,0,0,0|1,0,0]=3 5264 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,2,0,0,0,0|2,0,0]=4 5265 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,2,0,0,0,0|2,0,0]=4 5266 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,2,0,0,0,0|2,0,0]=4 5267 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 5268 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 5269 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 5270 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,2,0,0,0,0|2,0,0]=4 5271 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,2,0,0,0,0|1,0,1]=4 5272 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,2,0,0,0,0|1,0,1]=4 5273 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000228206_100011215382 [0,2,0,0,0,0|1,0,1]=4 5274 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000748184_100000210681 [0,2,0,0,0,0|1,0,1]=4 5275 B11R0.4 CCCCCCCN(C)CC#N 269982a_100000228206_100011214920 [0,2,0,0,0,0|1,0,1]=4 5276 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,2,0,0,0,0|0,0,0]=2 5277 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,2,0,0,0,0|0,0,0]=2 5278 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,2,0,0,0,0|1,0,1]=4 5279 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,2,0,0,0,0|1,0,1]=4 5280 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,2,0,0,0,0|1,0,1]=4 5281 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,2,0,0,0,0|1,0,1]=4 5282 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,2,0,0,0,0|1,0,1]=4 5283 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,2,0,0,0,0|1,0,1]=4 5284 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,2,0,0,0,0|0,0,2]=4 5285 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,2,0,0,0,0|0,0,2]=4 5286 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,2,0,0,0,0|0,0,2]=4 5287 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,2,0,0,0,0|0,0,2]=4 5288 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,2,0,0,0,0|0,0,2]=4 5289 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,2,0,0,0,0|0,0,2]=4 5290 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,2,0,0,0,0|0,1,1]=4 5291 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,2,0,0,0,0|0,1,1]=4 5292 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [0,2,0,0,0,0|1,0,0]=3 5293 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [0,2,0,0,0,0|1,0,0]=3 5294 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [0,2,0,0,0,0|2,0,0]=4 5295 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [0,2,0,0,0,0|2,0,0]=4 5296 B11R0.4 COCC(C)SCCCCC=O 62a_100000139335_100000765312 [0,2,0,0,0,0|2,0,0]=4 5297 B11R0.4 COCC(C)SCCCCC=O 62a_100000765312_100000139335 [0,2,0,0,0,0|2,0,0]=4 5298 B11R0.4 COCC(O)CNCCCC=O 2230a_100000756049_200011292268 [0,2,0,0,0,0|2,0,0]=4 5299 B11R0.4 COCC(O)CSCCCC=O 62a_100011215053_200011292268 [0,2,0,0,0,0|2,0,0]=4 5300 B11R0.4 COCC(O)CSCCCC=O 62a_200011292268_100011215053 [0,2,0,0,0,0|2,0,0]=4 5301 B11R0.4 COC[C@@H](C)NCCCCC=O 2230a_100000764878_100000139335 [0,2,0,0,0,0|2,0,0]=4 5302 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [0,2,0,0,0,0|2,0,0]=4 5303 B11R0.62 CCCC(C)CCC(C)NCC 270004a_100015525214_200011216527 [0,2,0,0,0,0|1,0,1]=4 5304 B11R0.81 C#CCNC(C)CCCCCC 2230a_100000210919_100000038162 [0,2,0,0,0,0|1,0,1]=4 5305 B11R0.81 C#CCNC(C)CCCCCC 34a_100000210919_100000184674 [0,2,0,0,0,0|1,0,1]=4 5306 B11R0.81 C#CCNC(C)CCCCCC 34a_100000212058_100011215978 [0,2,0,0,0,0|1,0,1]=4 5307 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,2,0,0,0,0|2,0,0]=4 5308 B11R0.81 C/C=C/CCOC(C)CCCC 34a_100016278192_200011215066 [0,2,0,0,0,0|2,0,0]=4 5309 B11R0.81 C/C=C/CN(C)CCCCCC 269982a_106256046315_100102629194 [0,2,0,0,0,0|2,0,0]=4 5310 B11R0.81 C/C=C/COCC(C)CCCC 34a_100011995851_100102629194 [0,2,0,0,0,0|2,0,0]=4 5311 B11R0.81 C/C=C/COCC(C)CCCC 7a_100011995851_100102629194 [0,2,0,0,0,0|2,0,0]=4 5312 B11R0.81 C/C=C/COC[C@@H](N)CCCC 34a_100011934283_100102629194 [0,2,0,0,0,0|2,0,0]=4 5313 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,2,0,0,0,0|2,0,0]=4 5314 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,2,0,0,0,0|2,0,0]=4 5315 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [0,2,0,0,0,0|2,0,0]=4 5316 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [0,2,0,0,0,0|2,0,0]=4 5317 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [0,2,0,0,0,0|2,0,0]=4 5318 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,2,0,0,0,0|2,0,0]=4 5319 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,2,0,0,0,0|2,0,0]=4 5320 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [0,2,0,0,0,0|2,0,0]=4 5321 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [0,2,0,0,0,0|2,0,0]=4 5322 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [0,2,0,0,0,0|2,0,0]=4 5323 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [0,2,0,0,0,0|2,0,0]=4 5324 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [0,2,0,0,0,0|2,0,0]=4 5325 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [0,2,0,0,0,0|2,0,0]=4 5326 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [0,2,0,0,0,0|2,0,0]=4 5327 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [0,2,0,0,0,0|2,0,0]=4 5328 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [0,2,0,0,0,0|2,0,0]=4 5329 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [0,2,0,0,0,0|2,0,0]=4 5330 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [0,2,0,0,0,0|2,0,0]=4 5331 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [0,2,0,0,0,0|2,0,0]=4 5332 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [0,2,0,0,0,0|2,0,0]=4 5333 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [0,2,0,0,0,0|2,0,0]=4 5334 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [0,2,0,0,0,0|2,0,0]=4 5335 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [0,2,0,0,0,0|2,0,0]=4 5336 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [0,2,0,0,0,0|2,0,0]=4 5337 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [0,2,0,0,0,0|2,0,0]=4 5338 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [0,2,0,0,0,0|2,0,0]=4 5339 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [0,2,0,0,0,0|2,0,0]=4 5340 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [0,2,0,0,0,0|2,0,0]=4 5341 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,2,0,0,0,0|1,0,1]=4 5342 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,2,0,0,0,0|1,0,1]=4 5343 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,2,0,0,0,0|1,0,1]=4 5344 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [0,2,0,0,0,0|1,0,0]=3 5345 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [0,2,0,0,0,0|1,0,0]=3 5346 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [0,2,0,0,0,0|1,0,0]=3 5347 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [0,2,0,0,0,0|1,0,0]=3 5348 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [0,2,0,0,0,0|2,0,0]=4 5349 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [0,2,0,0,0,0|2,0,0]=4 5350 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [0,2,0,0,0,0|2,0,0]=4 5351 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [0,2,0,0,0,0|2,0,0]=4 5352 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [0,2,0,0,0,0|2,0,0]=4 5353 B11R0.81 C=COCCNC(C)CCCC 2230a_100000126638_100000039644 [0,2,0,0,0,0|2,0,0]=4 5354 B11R0.81 C=COCCOC(C)CCCC 34a_100000033082_200011215066 [0,2,0,0,0,0|2,0,0]=4 5355 B11R0.81 C=COCCOC(C)CCCC 34a_100000687866_100000039644 [0,2,0,0,0,0|2,0,0]=4 5356 B11R0.81 C=COCCOC(C)CCCC 7a_100000687866_100000039644 [0,2,0,0,0,0|2,0,0]=4 5357 B11R0.81 C=COCCSC(C)CCCC 62a_100000039644_200011215066 [0,2,0,0,0,0|2,0,0]=4 5358 B11R0.81 C=COCCSC(C)CCCC 62a_200011215066_100000039644 [0,2,0,0,0,0|2,0,0]=4 5359 B11R0.81 CC(CCCCl)OCCCC=O 7a_200000718107_200011292268 [0,2,0,0,0,0|2,0,0]=4 5360 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,2,0,0,0,0|2,0,0]=4 5361 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,2,0,0,0,0|2,0,0]=4 5362 B11R0.81 CC=CCN(C)CCCCCC 2230a_106256046315_100000070051 [0,2,0,0,0,0|2,0,0]=4 5363 B11R0.81 CC=CCOCC(C)CCCC 34a_100011995851_100000070051 [0,2,0,0,0,0|2,0,0]=4 5364 B11R0.81 CC=CCOCC(C)CCCC 7a_100011995851_100000070051 [0,2,0,0,0,0|2,0,0]=4 5365 B11R0.81 CC=CCOC[C@@H](N)CCCC 34a_100011934283_100000070051 [0,2,0,0,0,0|2,0,0]=4 5366 B11R0.81 CC=NNC(=O)CCCCCC 4a_100011221127_200000210099 [0,2,0,0,0,0|1,0,1]=4 5367 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [0,2,0,0,0,0|1,0,0]=3 5368 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [0,2,0,0,0,0|1,0,0]=3 5369 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [0,2,0,0,0,0|1,0,0]=3 5370 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [0,2,0,0,0,0|1,0,0]=3 5371 B11R0.81 CCCCCCC(C)NCC#N 2230a_100000210919_100011215382 [0,2,0,0,0,0|1,0,1]=4 5372 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [0,2,0,0,0,0|0,0,0]=2 5373 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [0,2,0,0,0,0|0,0,0]=2 5374 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,2,0,0,0,0|1,0,1]=4 5375 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,2,0,0,0,0|1,0,1]=4 5376 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,2,0,0,0,0|1,0,1]=4 5377 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [0,2,0,0,0,0|1,0,1]=4 5378 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [0,2,0,0,0,0|1,0,1]=4 5379 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [0,2,0,0,0,0|1,0,1]=4 5380 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,2,0,0,0,0|0,0,2]=4 5381 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,2,0,0,0,0|0,0,2]=4 5382 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,2,0,0,0,0|0,0,2]=4 5383 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,2,0,0,0,0|0,0,2]=4 5384 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,2,0,0,0,0|0,0,2]=4 5385 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [0,2,0,0,0,0|0,0,2]=4 5386 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [0,2,0,0,0,0|0,1,1]=4 5387 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [0,2,0,0,0,0|0,1,1]=4 5388 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,2,0,0,0,0|1,0,0]=3 5389 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,2,0,0,0,0|1,0,0]=3 5390 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [0,2,0,0,0,0|1,0,0]=3 5391 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [0,2,0,0,0,0|1,0,0]=3 5392 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [0,2,0,0,0,0|1,0,0]=3 5393 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [0,2,0,0,0,0|1,0,0]=3 5394 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [0,2,0,0,0,0|2,0,0]=4 5395 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [0,2,0,0,0,0|2,0,0]=4 5396 B11R0.81 CCOCC(C)OCCCC=O 7a_100000718985_200011292268 [0,2,0,0,0,0|2,0,0]=4 5397 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [0,2,0,0,0,0|2,0,0]=4 5398 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [0,2,0,0,0,0|2,0,0]=4 5399 B11R0.81 COCCN(C)CCCCC=O 2230a_100000743101_100000139335 [0,2,0,0,0,0|2,0,0]=4 5400 B11R0.81 COCCN(C)CCCCC=O 269982a_100000743101_100000139335 [0,2,0,0,0,0|2,0,0]=4 5401 B11R0.81 CSCCN(C)CCCCC=O 2230a_100000686725_100000139335 [0,2,0,0,0,0|2,0,0]=4 5402 B11R0.81 CSCCN(C)CCCCC=O 269982a_100000686725_100000139335 [0,2,0,0,0,0|2,0,0]=4 5403 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [0,2,0,0,0,0|2,0,0]=4 5404 B11R0.142 CCC(C)C(C)OCCCC=O 7a_100011215189_200011292268 [0,2,0,0,0,0|2,0,0]=4 5405 B11R0.142 CCC(C)N(C)CCCCC=O 2230a_100000741768_100000139335 [0,2,0,0,0,0|2,0,0]=4 5406 B11R0.142 CCC(C)N(C)CCCCC=O 269982a_100000741768_100000139335 [0,2,0,0,0,0|2,0,0]=4 5407 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,2,0,0,0,0|1,0,1]=4 5408 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,2,0,0,0,0|1,0,1]=4 5409 B11R0.161 C#CC(CCC)OCCCC=O 7a_200011217317_200011292268 [0,2,0,0,0,0|2,0,0]=4 5410 B11R0.161 C=CC(CCC)OCCCC=O 7a_100011216692_200011292268 [0,2,0,0,0,0|2,0,0]=4 5411 B11R0.161 CCCC(C#N)OCCCC=O 7a_100000686963_200011292268 [0,2,0,0,0,0|2,0,0]=4 5412 B11R0.161 CCCC(CC)NCCCC=O 2230a_100000747048_200011292268 [0,2,0,0,0,0|2,0,0]=4 5413 B11R0.161 CCCC(CC)OCCCC=O 7a_100000687864_200011292268 [0,2,0,0,0,0|2,0,0]=4 5414 B11R0.161 CCCC(CC)SCCCC=O 62a_100011219200_200011292268 [0,2,0,0,0,0|2,0,0]=4 5415 B11R0.161 CCCC(CC)SCCCC=O 62a_200011292268_100011219200 [0,2,0,0,0,0|2,0,0]=4 5416 B11R0.161 CCCC(CCOCC=O)SC 34a_100000032865_200009817547 [0,2,0,0,0,0|2,0,0]=4 5417 B11R0.161 CCCC(CCOCC=O)SC 7a_100000032865_200015260668 [0,2,0,0,0,0|2,0,0]=4 5418 B11R0.161 CCCCCCC(CC)NCC 270004a_100015525214_100011219640 [0,2,0,0,0,0|1,0,1]=4 5419 B11R0.161 CCCN(CC)CCCCC=O 2230a_100000226822_100000139335 [0,2,0,0,0,0|2,0,0]=4 5420 B11R0.161 CCCN(CC)CCCCC=O 269982a_100000226822_100000139335 [0,2,0,0,0,0|2,0,0]=4 5421 B11R0.161 CCC[C@@H](CO)NCCCC=O 2230a_100000732646_200011292268 [0,2,0,0,0,0|2,0,0]=4 5422 B11R0.174 CCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210303 [0,2,0,0,0,0|1,0,1]=4 5423 B11R0.176 CC(=O)NCCCC(=O)CCF 1458a_100000194741_100011217306 [0,2,0,0,0,0|1,0,1]=4 5424 B11R0.176 CC(=O)NCCCC(=O)CCO 1458a_100000194741_100000211926 [0,2,0,0,0,0|1,0,1]=4 5425 B11R0.176 CC(=O)NCCNC(C)CCO 2230a_100000209853_100009893172 [0,2,0,0,0,0|2,0,0]=4 5426 B11R0.176 CC(=O)NCCN[C@H](C)CCO 2230a_100000706166_100000189650 [0,2,0,0,0,0|2,0,0]=4 5427 B11R0.176 CC(=O)NCCOC(C)CCO 34a_100000158858_100009893172 [0,2,0,0,0,0|2,0,0]=4 5428 B11R0.176 CC(=O)NCCSC(C)CCO 62a_100000189650_100009893172 [0,2,0,0,0,0|2,0,0]=4 5429 B11R0.176 CC(=O)NCCSC(C)CCO 62a_100009893172_100000189650 [0,2,0,0,0,0|2,0,0]=4 5430 B11R0.176 CC(CCO)NCCNC(=O)N 34a_100020590234_100009893172 [0,2,0,0,0,0|2,0,0]=4 5431 B11R0.176 CC(CCO)OCCNC(=O)N 34a_100000181757_100009893172 [0,2,0,0,0,0|2,0,0]=4 5432 B11R0.176 CC(CCO)SCCNC(=O)N 62a_100009893172_200000034859 [0,2,0,0,0,0|2,0,0]=4 5433 B11R0.176 CC(CCO)SCCNC(=O)N 62a_200000034859_100009893172 [0,2,0,0,0,0|2,0,0]=4 5434 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|1,0,1]=4 5435 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,2,0,0,0,0|0,0,1]=3 5436 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,2,0,0,0,0|1,0,1]=4 5437 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,2,0,0,0,0|1,0,1]=4 5438 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [0,2,0,0,0,0|1,0,1]=4 5439 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [0,2,0,0,0,0|1,0,1]=4 5440 B11R0.176 CCCC(=O)NCCNC(=O)N 240690a_100020590234_100000211992 [0,2,0,0,0,0|1,0,1]=4 5441 B11R0.176 CCCC(=O)NCCNC(=O)N 527a_100020590234_100000211992 [0,2,0,0,0,0|1,0,1]=4 5442 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [0,2,0,0,0,0|2,0,0]=4 5443 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [0,2,0,0,0,0|2,0,0]=4 5444 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [0,2,0,0,0,0|2,0,0]=4 5445 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,2,0,0,0,0|2,0,0]=4 5446 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,2,0,0,0,0|2,0,0]=4 5447 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,2,0,0,0,0|2,0,0]=4 5448 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [0,2,0,0,0,0|2,0,0]=4 5449 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [0,2,0,0,0,0|2,0,0]=4 5450 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [0,2,0,0,0,0|2,0,0]=4 5451 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [0,2,0,0,0,0|2,0,0]=4 5452 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,2,0,0,0,0|2,0,0]=4 5453 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,2,0,0,0,0|2,0,0]=4 5454 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,2,0,0,0,0|2,0,0]=4 5455 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [0,2,0,0,0,0|2,0,0]=4 5456 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [0,2,0,0,0,0|2,0,0]=4 5457 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [0,2,0,0,0,0|2,0,0]=4 5458 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [0,2,0,0,0,0|2,0,0]=4 5459 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [0,2,0,0,0,0|2,0,0]=4 5460 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [0,2,0,0,0,0|1,0,0]=3 5461 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [0,2,0,0,0,0|1,0,0]=3 5462 B11R0.176 CCCC(C)NCCNC(=O)N 2230a_100000741246_200000034859 [0,2,0,0,0,0|1,0,0]=3 5463 B11R0.176 CCCC(C)NCCNC(=O)N 34a_100020590234_100000766640 [0,2,0,0,0,0|1,0,0]=3 5464 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,2,0,0,0,0|2,0,0]=4 5465 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,2,0,0,0,0|2,0,0]=4 5466 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,2,0,0,0,0|2,0,0]=4 5467 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,2,0,0,0,0|2,0,0]=4 5468 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [0,2,0,0,0,0|2,0,0]=4 5469 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [0,2,0,0,0,0|2,0,0]=4 5470 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [0,2,0,0,0,0|1,0,0]=3 5471 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [0,2,0,0,0,0|1,0,0]=3 5472 B11R0.176 CCCC(C)OCCNC(=O)N 34a_100000181757_100000766640 [0,2,0,0,0,0|1,0,0]=3 5473 B11R0.176 CCCC(C)OCCNC(=O)N 7a_100000764384_200000034859 [0,2,0,0,0,0|1,0,0]=3 5474 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,2,0,0,0,0|2,0,0]=4 5475 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,2,0,0,0,0|2,0,0]=4 5476 B11R0.176 CCCC(C)OCCOC(=O)N 34a_100000764384_200011214921 [0,2,0,0,0,0|2,0,0]=4 5477 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000764384_200011214921 [0,2,0,0,0,0|2,0,0]=4 5478 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000766696_100000766640 [0,2,0,0,0,0|2,0,0]=4 5479 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,2,0,0,0,0|2,0,0]=4 5480 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,2,0,0,0,0|2,0,0]=4 5481 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [0,2,0,0,0,0|2,0,0]=4 5482 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [0,2,0,0,0,0|2,0,0]=4 5483 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [0,2,0,0,0,0|1,0,0]=3 5484 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [0,2,0,0,0,0|1,0,0]=3 5485 B11R0.176 CCCC(C)SCCNC(=O)N 62a_100000766640_200000034859 [0,2,0,0,0,0|1,0,0]=3 5486 B11R0.176 CCCC(C)SCCNC(=O)N 62a_200000034859_100000766640 [0,2,0,0,0,0|1,0,0]=3 5487 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [0,2,0,0,0,0|2,0,0]=4 5488 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [0,2,0,0,0,0|2,0,0]=4 5489 B11R0.176 CCCC(C)SCCOC(=O)N 62a_100000766640_200011214921 [0,2,0,0,0,0|2,0,0]=4 5490 B11R0.176 CCCC(C)SCCOC(=O)N 62a_200011214921_100000766640 [0,2,0,0,0,0|2,0,0]=4 5491 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,2,0,0,0,0|2,0,0]=4 5492 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [0,2,0,0,0,0|2,0,0]=4 5493 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [0,2,0,0,0,0|2,0,0]=4 5494 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [0,2,0,0,0,0|2,0,0]=4 5495 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [0,2,0,0,0,0|2,0,0]=4 5496 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [0,2,0,0,0,0|2,0,0]=4 5497 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [0,2,0,0,0,0|2,0,0]=4 5498 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [0,2,0,0,0,0|2,0,0]=4 5499 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 5500 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 5501 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 5502 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,2,0,0,0,0|1,0,1]=4 5503 B11R0.176 COCC(C)NCCNC(=O)C 2230a_100000209853_100000765312 [0,2,0,0,0,0|2,0,0]=4 5504 B11R0.176 COCC(C)NCCNC(=O)N 34a_100020590234_100000765312 [0,2,0,0,0,0|2,0,0]=4 5505 B11R0.176 COCC(C)OCCNC(=O)C 34a_100000158858_100000765312 [0,2,0,0,0,0|2,0,0]=4 5506 B11R0.176 COCC(C)OCCNC(=O)N 34a_100000181757_100000765312 [0,2,0,0,0,0|2,0,0]=4 5507 B11R0.176 COCC(C)SCCNC(=O)C 62a_100000189650_100000765312 [0,2,0,0,0,0|2,0,0]=4 5508 B11R0.176 COCC(C)SCCNC(=O)C 62a_100000765312_100000189650 [0,2,0,0,0,0|2,0,0]=4 5509 B11R0.176 COCC(C)SCCNC(=O)N 62a_100000765312_200000034859 [0,2,0,0,0,0|2,0,0]=4 5510 B11R0.176 COCC(C)SCCNC(=O)N 62a_200000034859_100000765312 [0,2,0,0,0,0|2,0,0]=4 5511 B11R0.176 COC[C@@H](C)NCCNC(=O)C 2230a_100000764878_100000189650 [0,2,0,0,0,0|2,0,0]=4 5512 B11R0.176 COC[C@@H](C)NCCNC(=O)N 2230a_100000764878_200000034859 [0,2,0,0,0,0|2,0,0]=4 5513 B11R0.176 C[C@H](CCO)NCCNC(=O)N 2230a_100000706166_200000034859 [0,2,0,0,0,0|2,0,0]=4 5514 B11R0.304 CCCC(C)(C)OCCCC=O 7a_100000748436_200011292268 [0,2,0,0,0,0|2,0,0]=4 5515 B11R0.30 C=C(C)CCNCCNC(=O)C 2230a_100000209853_100000730704 [0,2,0,0,0,0|1,0,1]=4 5516 B11R0.30 C=C(C)CCNCCNC(=O)N 34a_100020590234_100000730704 [0,2,0,0,0,0|1,0,1]=4 5517 B11R0.30 C=C(C)CCOCCNC(=O)C 34a_100000158858_100000730704 [0,2,0,0,0,0|1,0,1]=4 5518 B11R0.30 C=C(C)CCOCCNC(=O)N 34a_100000181757_100000730704 [0,2,0,0,0,0|1,0,1]=4 5519 B11R0.30 C=C(C)CCSCCNC(=O)C 62a_100000189650_100000730704 [0,2,0,0,0,0|1,0,1]=4 5520 B11R0.30 C=C(C)CCSCCNC(=O)C 62a_100000730704_100000189650 [0,2,0,0,0,0|1,0,1]=4 5521 B11R0.30 C=C(C)CCSCCNC(=O)N 62a_100000730704_200000034859 [0,2,0,0,0,0|1,0,1]=4 5522 B11R0.30 C=C(C)CCSCCNC(=O)N 62a_200000034859_100000730704 [0,2,0,0,0,0|1,0,1]=4 5523 B11R0.30 C=C(C)CNCCCNC(=O)C 34a_100000736810_100000748629 [0,2,0,0,0,0|1,0,1]=4 5524 B11R0.30 C=C(C)COCCCNC(=O)C 34a_100000752032_100000748629 [0,2,0,0,0,0|1,0,1]=4 5525 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,2,0,0,0,0|1,0,0]=3 5526 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,2,0,0,0,0|0,0,1]=3 5527 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,2,0,0,0,0|1,0,1]=4 5528 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [0,2,0,0,0,0|2,0,0]=4 5529 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,2,0,0,0,0|2,0,0]=4 5530 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [0,2,0,0,0,0|2,0,0]=4 5531 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [0,2,0,0,0,0|2,0,0]=4 5532 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [0,2,0,0,0,0|2,0,0]=4 5533 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [0,2,0,0,0,0|2,0,0]=4 5534 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,2,0,0,0,0|2,0,0]=4 5535 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [0,2,0,0,0,0|2,0,0]=4 5536 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [0,2,0,0,0,0|2,0,0]=4 5537 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,2,0,0,0,0|2,0,0]=4 5538 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,2,0,0,0,0|2,0,0]=4 5539 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,2,0,0,0,0|2,0,0]=4 5540 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,2,0,0,0,0|2,0,0]=4 5541 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [0,2,0,0,0,0|2,0,0]=4 5542 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [0,2,0,0,0,0|2,0,0]=4 5543 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [0,2,0,0,0,0|2,0,0]=4 5544 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [0,2,0,0,0,0|2,0,0]=4 5545 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [0,2,0,0,0,0|2,0,0]=4 5546 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,2,0,0,0,0|2,0,0]=4 5547 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,2,0,0,0,0|2,0,0]=4 5548 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,2,0,0,0,0|2,0,0]=4 5549 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [0,2,0,0,0,0|2,0,0]=4 5550 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [0,2,0,0,0,0|2,0,0]=4 5551 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,2,0,0,0,0|2,0,0]=4 5552 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,2,0,0,0,0|2,0,0]=4 5553 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [0,2,0,0,0,0|2,0,0]=4 5554 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [0,2,0,0,0,0|2,0,0]=4 5555 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [0,2,0,0,0,0|2,0,0]=4 5556 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,2,0,0,0,0|2,0,0]=4 5557 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,2,0,0,0,0|2,0,0]=4 5558 B11R0.30 CC(=O)CCOCCNC(=O)C 7a_100000759926_100000189650 [0,2,0,0,0,0|1,0,1]=4 5559 B11R0.30 CC(=O)CCOCCNC(=O)N 7a_100000759926_200000034859 [0,2,0,0,0,0|1,0,1]=4 5560 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [0,2,0,0,0,0|2,0,0]=4 5561 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [0,2,0,0,0,0|2,0,0]=4 5562 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,2,0,0,0,0|2,0,0]=4 5563 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,2,0,0,0,0|2,0,0]=4 5564 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000053229_100000189650 [0,2,0,0,0,0|1,0,1]=4 5565 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000189650_100000053229 [0,2,0,0,0,0|1,0,1]=4 5566 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_100000053229_200000034859 [0,2,0,0,0,0|1,0,1]=4 5567 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_200000034859_100000053229 [0,2,0,0,0,0|1,0,1]=4 5568 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,2,0,0,0,0|2,0,0]=4 5569 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,2,0,0,0,0|0,0,1]=3 5570 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [0,2,0,0,0,0|0,0,0]=2 5571 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [0,2,0,0,0,0|0,0,0]=2 5572 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [0,2,0,0,0,0|0,0,0]=2 5573 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [0,2,0,0,0,0|1,0,0]=3 5574 B11R0.30 CC(=O)NCCCCNC(=O)C 11a_200011368371_100015343762 [0,2,0,0,0,0|1,0,1]=4 5575 B11R0.30 CC(=O)NCCCCNC(=O)C 1626a_200011368371_100015343762 [0,2,0,0,0,0|1,0,1]=4 5576 B11R0.30 CC(=O)NCCCCNC(=O)C 240690a_200011368371_100015343762 [0,2,0,0,0,0|1,0,1]=4 5577 B11R0.30 CC(=O)NCCCCNC(=O)C 527a_200011368371_100103153847 [0,2,0,0,0,0|1,0,1]=4 5578 B11R0.30 CC(=O)NCCCCNC(C)C 2230a_200011368371_100000210206 [0,2,0,0,0,0|1,0,0]=3 5579 B11R0.30 CC(=O)NCCCCNC(C)C 34a_200011368371_100000210206 [0,2,0,0,0,0|1,0,0]=3 5580 B11R0.30 CC(=O)NCCCNCC(C)C 270004a_100000736810_100000210432 [0,2,0,0,0,0|1,0,0]=3 5581 B11R0.30 CC(=O)NCCCNCC(C)C 34a_100000736810_100000210624 [0,2,0,0,0,0|1,0,0]=3 5582 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [0,2,0,0,0,0|1,0,0]=3 5583 B11R0.30 CC(=O)NCCCNCC(F)F 34a_100000736810_100011934356 [0,2,0,0,0,0|2,0,0]=4 5584 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [0,2,0,0,0,0|1,0,0]=3 5585 B11R0.30 CC(=O)NCCCOCC(C)C 11a_100000205972_100015343762 [0,2,0,0,0,0|1,0,0]=3 5586 B11R0.30 CC(=O)NCCCOCC(C)C 1626a_100000205972_100015343762 [0,2,0,0,0,0|1,0,0]=3 5587 B11R0.30 CC(=O)NCCCOCC(C)C 240690a_100000205972_100015343762 [0,2,0,0,0,0|1,0,0]=3 5588 B11R0.30 CC(=O)NCCCOCC(C)C 34a_100000752032_100000210624 [0,2,0,0,0,0|1,0,0]=3 5589 B11R0.30 CC(=O)NCCCOCC(C)C 527a_100000205972_100103153847 [0,2,0,0,0,0|1,0,0]=3 5590 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [0,2,0,0,0,0|1,0,0]=3 5591 B11R0.30 CC(=O)NCCCOCC(F)F 34a_100000752032_100011934356 [0,2,0,0,0,0|2,0,0]=4 5592 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [0,2,0,0,0,0|1,0,0]=3 5593 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [0,2,0,0,0,0|1,0,0]=3 5594 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [0,2,0,0,0,0|1,0,0]=3 5595 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [0,2,0,0,0,0|1,0,0]=3 5596 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [0,2,0,0,0,0|1,0,0]=3 5597 B11R0.30 CC(=O)NCCNCOC(C)C 2230a_100000209853_100000709892 [0,2,0,0,0,0|2,0,0]=4 5598 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [0,2,0,0,0,0|1,0,0]=3 5599 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [0,2,0,0,0,0|1,0,0]=3 5600 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [0,2,0,0,0,0|1,0,0]=3 5601 B11R0.30 CC(=O)NCCOCCN(C)C 240690a_200153394208_100015343762 [0,2,0,0,0,0|2,0,0]=4 5602 B11R0.30 CC(=O)NCCOCCN(C)C 527a_200153394208_100103153847 [0,2,0,0,0,0|2,0,0]=4 5603 B11R0.30 CC(=O)NCCOCOC(C)C 34a_100000158858_100000709892 [0,2,0,0,0,0|2,0,0]=4 5604 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [0,2,0,0,0,0|1,0,0]=3 5605 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [0,2,0,0,0,0|1,0,0]=3 5606 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [0,2,0,0,0,0|1,0,0]=3 5607 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [0,2,0,0,0,0|1,0,0]=3 5608 B11R0.30 CC(=O)NCCSCCN(C)C 62a_100000189650_100000755713 [0,2,0,0,0,0|2,0,0]=4 5609 B11R0.30 CC(=O)NCCSCOC(C)C 62a_100000189650_100000709892 [0,2,0,0,0,0|2,0,0]=4 5610 B11R0.30 CC(=O)NCCSCOC(C)C 62a_100000709892_100000189650 [0,2,0,0,0,0|2,0,0]=4 5611 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [0,2,0,0,0,0|2,0,0]=4 5612 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [0,2,0,0,0,0|2,0,0]=4 5613 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [0,2,0,0,0,0|2,0,0]=4 5614 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [0,2,0,0,0,0|2,0,0]=4 5615 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [0,2,0,0,0,0|2,0,0]=4 5616 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [0,2,0,0,0,0|2,0,0]=4 5617 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [0,2,0,0,0,0|2,0,0]=4 5618 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [0,2,0,0,0,0|2,0,0]=4 5619 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [0,2,0,0,0,0|2,0,0]=4 5620 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [0,2,0,0,0,0|2,0,0]=4 5621 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [0,2,0,0,0,0|2,0,0]=4 5622 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [0,2,0,0,0,0|2,0,0]=4 5623 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [0,2,0,0,0,0|2,0,0]=4 5624 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [0,2,0,0,0,0|2,0,0]=4 5625 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [0,2,0,0,0,0|2,0,0]=4 5626 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [0,2,0,0,0,0|2,0,0]=4 5627 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [0,2,0,0,0,0|2,0,0]=4 5628 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [0,2,0,0,0,0|2,0,0]=4 5629 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [0,2,0,0,0,0|2,0,0]=4 5630 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [0,2,0,0,0,0|2,0,0]=4 5631 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [0,2,0,0,0,0|2,0,0]=4 5632 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [0,2,0,0,0,0|2,0,0]=4 5633 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [0,2,0,0,0,0|2,0,0]=4 5634 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [0,2,0,0,0,0|2,0,0]=4 5635 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [0,2,0,0,0,0|2,0,0]=4 5636 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [0,2,0,0,0,0|2,0,0]=4 5637 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [0,2,0,0,0,0|2,0,0]=4 5638 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [0,2,0,0,0,0|2,0,0]=4 5639 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [0,2,0,0,0,0|2,0,0]=4 5640 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [0,2,0,0,0,0|2,0,0]=4 5641 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [0,2,0,0,0,0|2,0,0]=4 5642 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [0,2,0,0,0,0|2,0,0]=4 5643 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [0,2,0,0,0,0|2,0,0]=4 5644 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [0,2,0,0,0,0|2,0,0]=4 5645 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [0,2,0,0,0,0|2,0,0]=4 5646 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [0,2,0,0,0,0|2,0,0]=4 5647 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [0,2,0,0,0,0|2,0,0]=4 5648 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [0,2,0,0,0,0|2,0,0]=4 5649 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [0,2,0,0,0,0|2,0,0]=4 5650 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [0,2,0,0,0,0|2,0,0]=4 5651 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [0,2,0,0,0,0|2,0,0]=4 5652 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [0,2,0,0,0,0|2,0,0]=4 5653 B11R0.30 CC(=O)SCCCNCC(C)O 2230a_100000210904_100000038929 [0,2,0,0,0,0|2,0,0]=4 5654 B11R0.30 CC(=O)SCCCNCC(C)O 34a_100000210904_100000038929 [0,2,0,0,0,0|2,0,0]=4 5655 B11R0.30 CC(=O)SCCCOCC(C)Br 34a_100012180447_100000038929 [0,2,0,0,0,0|2,0,0]=4 5656 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [0,2,0,0,0,0|2,0,0]=4 5657 B11R0.30 CC(=O)SCCCOCC(C)F 34a_100015925927_100000038929 [0,2,0,0,0,0|2,0,0]=4 5658 B11R0.30 CC(=O)SCCCOC[C@@H](C)Cl 34a_100016084084_100000038929 [0,2,0,0,0,0|2,0,0]=4 5659 B11R0.30 CC(=O)SCCCOC[C@@H](C)N 34a_100000737577_100000038929 [0,2,0,0,0,0|2,0,0]=4 5660 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [0,2,0,0,0,0|2,0,0]=4 5661 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [0,2,0,0,0,0|2,0,0]=4 5662 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100000038929_100011218427 [0,2,0,0,0,0|2,0,0]=4 5663 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100011218427_100000038929 [0,2,0,0,0,0|2,0,0]=4 5664 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100000038929_100009817552 [0,2,0,0,0,0|2,0,0]=4 5665 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100009817552_100000038929 [0,2,0,0,0,0|2,0,0]=4 5666 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [0,2,0,0,0,0|2,0,0]=4 5667 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [0,2,0,0,0,0|2,0,0]=4 5668 B11R0.30 CC(Br)CCOCCOC(=O)N 34a_100009893172_200011214921 [0,2,0,0,0,0|2,0,0]=4 5669 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,2,0,0,0,0|1,0,0]=3 5670 B11R0.30 CC(C)CCCCCNC(C)C 2230a_100011290863_100000210206 [0,2,0,0,0,0|1,0,1]=4 5671 B11R0.30 CC(C)CCCCCNC(C)C 2230a_100138425928_100000210682 [0,2,0,0,0,0|1,0,1]=4 5672 B11R0.30 CC(C)CCCCCNC(C)C 34a_100011290863_100000210206 [0,2,0,0,0,0|1,0,1]=4 5673 B11R0.30 CC(C)CCCCCNC(C)C 34a_100138425928_100000210682 [0,2,0,0,0,0|1,0,1]=4 5674 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [0,2,0,0,0,0|2,0,0]=4 5675 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,2,0,0,0,0|2,0,0]=4 5676 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [0,2,0,0,0,0|2,0,0]=4 5677 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [0,2,0,0,0,0|2,0,0]=4 5678 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [0,2,0,0,0,0|2,0,0]=4 5679 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [0,2,0,0,0,0|2,0,0]=4 5680 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [0,2,0,0,0,0|2,0,0]=4 5681 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [0,2,0,0,0,0|2,0,0]=4 5682 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [0,2,0,0,0,0|2,0,0]=4 5683 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [0,2,0,0,0,0|2,0,0]=4 5684 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [0,2,0,0,0,0|2,0,0]=4 5685 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [0,2,0,0,0,0|2,0,0]=4 5686 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [0,2,0,0,0,0|2,0,0]=4 5687 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [0,2,0,0,0,0|2,0,0]=4 5688 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [0,2,0,0,0,0|2,0,0]=4 5689 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [0,2,0,0,0,0|2,0,0]=4 5690 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [0,2,0,0,0,0|2,0,0]=4 5691 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [0,2,0,0,0,0|2,0,0]=4 5692 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [0,2,0,0,0,0|2,0,0]=4 5693 B11R0.30 CC(C)CCNCCNC(=O)N 269862a_100020590234_100000185833 [0,2,0,0,0,0|1,0,0]=3 5694 B11R0.30 CC(C)CCNCCNC(=O)N 34a_100020590234_100000210312 [0,2,0,0,0,0|1,0,0]=3 5695 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [0,2,0,0,0,0|2,0,0]=4 5696 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [0,2,0,0,0,0|2,0,0]=4 5697 B11R0.30 CC(C)CCOCCNC(=O)N 34a_100000181757_100000210312 [0,2,0,0,0,0|1,0,0]=3 5698 B11R0.30 CC(C)CCOCCNC(=O)N 7a_100000210254_200000034859 [0,2,0,0,0,0|1,0,0]=3 5699 B11R0.30 CC(C)CCOCCOC(=O)N 34a_100000210254_200011214921 [0,2,0,0,0,0|2,0,0]=4 5700 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000210254_200011214921 [0,2,0,0,0,0|2,0,0]=4 5701 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000766696_100000210626 [0,2,0,0,0,0|2,0,0]=4 5702 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [0,2,0,0,0,0|2,0,0]=4 5703 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [0,2,0,0,0,0|2,0,0]=4 5704 B11R0.30 CC(C)CCSCCNC(=O)N 62a_100000210312_200000034859 [0,2,0,0,0,0|1,0,0]=3 5705 B11R0.30 CC(C)CCSCCNC(=O)N 62a_200000034859_100000210312 [0,2,0,0,0,0|1,0,0]=3 5706 B11R0.30 CC(C)CCSCCOC(=O)N 62a_100000210312_200011214921 [0,2,0,0,0,0|2,0,0]=4 5707 B11R0.30 CC(C)CCSCCOC(=O)N 62a_200011214921_100000210312 [0,2,0,0,0,0|2,0,0]=4 5708 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [0,2,0,0,0,0|2,0,0]=4 5709 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [0,2,0,0,0,0|2,0,0]=4 5710 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [0,2,0,0,0,0|2,0,0]=4 5711 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [0,2,0,0,0,0|2,0,0]=4 5712 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [0,2,0,0,0,0|2,0,0]=4 5713 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [0,2,0,0,0,0|2,0,0]=4 5714 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [0,2,0,0,0,0|2,0,0]=4 5715 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [0,2,0,0,0,0|2,0,0]=4 5716 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [0,2,0,0,0,0|2,0,0]=4 5717 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [0,2,0,0,0,0|2,0,0]=4 5718 B11R0.30 CC(C)OCNCCNC(=O)N 34a_100020590234_100000709892 [0,2,0,0,0,0|2,0,0]=4 5719 B11R0.30 CC(C)OCOCCNC(=O)N 34a_100000181757_100000709892 [0,2,0,0,0,0|2,0,0]=4 5720 B11R0.30 CC(C)OCSCCNC(=O)N 62a_100000709892_200000034859 [0,2,0,0,0,0|2,0,0]=4 5721 B11R0.30 CC(C)OCSCCNC(=O)N 62a_200000034859_100000709892 [0,2,0,0,0,0|2,0,0]=4 5722 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [0,2,0,0,0,0|2,0,0]=4 5723 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [0,2,0,0,0,0|2,0,0]=4 5724 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [0,2,0,0,0,0|2,0,0]=4 5725 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [0,2,0,0,0,0|2,0,0]=4 5726 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [0,2,0,0,0,0|2,0,0]=4 5727 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [0,2,0,0,0,0|2,0,0]=4 5728 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [0,2,0,0,0,0|2,0,0]=4 5729 B11R0.30 CC(O)CCNCCNC(=O)N 2230a_200000755665_200000034859 [0,2,0,0,0,0|1,0,0]=3 5730 B11R0.30 CC(O)CCNCCNC(=O)N 34a_100020590234_100012276601 [0,2,0,0,0,0|1,0,0]=3 5731 B11R0.30 CC(O)CCOCCNC(=O)N 34a_100000181757_100012276601 [0,2,0,0,0,0|1,0,0]=3 5732 B11R0.30 CC(O)CCOCCOC(=O)N 7a_100000766696_100012276601 [0,2,0,0,0,0|2,0,0]=4 5733 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [0,2,0,0,0,0|2,0,0]=4 5734 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [0,2,0,0,0,0|2,0,0]=4 5735 B11R0.30 CC(O)CCSCCNC(=O)N 62a_100012276601_200000034859 [0,2,0,0,0,0|1,0,0]=3 5736 B11R0.30 CC(O)CCSCCNC(=O)N 62a_200000034859_100012276601 [0,2,0,0,0,0|1,0,0]=3 5737 B11R0.30 CC(O)CCSCCOC(=O)N 62a_100012276601_200011214921 [0,2,0,0,0,0|2,0,0]=4 5738 B11R0.30 CC(O)CCSCCOC(=O)N 62a_200011214921_100012276601 [0,2,0,0,0,0|2,0,0]=4 5739 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [0,2,0,0,0,0|2,0,0]=4 5740 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [0,2,0,0,0,0|2,0,0]=4 5741 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [0,2,0,0,0,0|2,0,0]=4 5742 B11R0.30 CN(C)CCSCCNC(=O)N 62a_200000034859_100000755713 [0,2,0,0,0,0|2,0,0]=4 5743 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [0,2,0,0,0,0|2,0,0]=4 5744 B11R0.30 C[C@@H](N)CCOCCOC(=O)N 34a_100000706166_200011214921 [0,2,0,0,0,0|2,0,0]=4 5745 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [0,2,0,0,0,0|2,0,0]=4 5746 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [0,2,0,0,0,0|2,0,0]=4 5747 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [0,2,0,0,0,0|2,0,0]=4 5748 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,2,0,0,0,0|1,0,0]=3 5749 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,2,0,0,0,0|2,0,0]=4 5750 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,2,0,0,0,0|2,0,0]=4 5751 B11R0.40 C#CC(C)NCCCCCC=O 2230a_100000707721_100000139337 [0,2,0,0,0,0|2,0,0]=4 5752 B11R0.40 C#CC(C)NCCCCCCC 2230a_100000707721_100000210681 [0,2,0,0,0,0|1,0,1]=4 5753 B11R0.40 C#CC(C)NCCCCCCC 34a_100000707721_100000210614 [0,2,0,0,0,0|1,0,1]=4 5754 B11R0.40 C#CC(C)SCCCCCC=O 62a_200000035995_100000139337 [0,2,0,0,0,0|2,0,0]=4 5755 B11R0.40 C#C[C@@H](C)OCCCCCC=O 7a_100009815206_100000139337 [0,2,0,0,0,0|2,0,0]=4 5756 B11R0.40 C/C=C/COCCCC(C)CC 7a_100011216074_100102629194 [0,2,0,0,0,0|2,0,0]=4 5757 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,2,0,0,0,0|1,0,0]=3 5758 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,2,0,0,0,0|2,0,0]=4 5759 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,2,0,0,0,0|2,0,0]=4 5760 B11R0.40 C=CC(=O)NCCCCCC#N 1626a_100000061152_100000185746 [0,2,0,0,0,0|1,0,1]=4 5761 B11R0.40 C=CC(=O)NCCCCCC#N 240690a_100000061152_200121576911 [0,2,0,0,0,0|1,0,1]=4 5762 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,2,0,0,0,0|0,0,0]=2 5763 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,2,0,0,0,0|0,0,0]=2 5764 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,2,0,0,0,0|1,0,0]=3 5765 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,2,0,0,0,0|1,0,0]=3 5766 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,2,0,0,0,0|1,0,0]=3 5767 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,2,0,0,0,0|1,0,0]=3 5768 B11R0.40 C=CC(=O)NCCCCOCF 34a_100014118770_100015361967 [0,2,0,0,0,0|2,0,0]=4 5769 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,2,0,0,0,0|1,0,0]=3 5770 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,2,0,0,0,0|1,0,0]=3 5771 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,2,0,0,0,0|1,0,0]=3 5772 B11R0.40 C=CC(=O)NCCNCCCF 2230a_114873766552_100011934791 [0,2,0,0,0,0|2,0,0]=4 5773 B11R0.40 C=CC(=O)NCCNCCCO 2230a_114873766552_100000230001 [0,2,0,0,0,0|2,0,0]=4 5774 B11R0.40 C=CC(=O)NCCNCCOC 2230a_114873766552_100011201679 [0,2,0,0,0,0|2,0,0]=4 5775 B11R0.40 C=CC(=O)NCCNCCSC 2230a_114873766552_100000751147 [0,2,0,0,0,0|2,0,0]=4 5776 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,2,0,0,0,0|1,0,0]=3 5777 B11R0.40 C=CC(=O)NCCOCCCF 34a_100011304386_100011934791 [0,2,0,0,0,0|2,0,0]=4 5778 B11R0.40 C=CC(=O)NCCOCCCO 34a_100011304386_100000230001 [0,2,0,0,0,0|2,0,0]=4 5779 B11R0.40 C=CC(=O)NCCOCCOC 1626a_100000745349_100000185746 [0,2,0,0,0,0|2,0,0]=4 5780 B11R0.40 C=CC(=O)NCCOCCOC 240690a_100000745349_200121576911 [0,2,0,0,0,0|2,0,0]=4 5781 B11R0.40 C=CC(=O)NCCOCCOC 34a_100011304386_100011201679 [0,2,0,0,0,0|2,0,0]=4 5782 B11R0.40 C=CC(=O)NCCOCCSC 34a_100011304386_100000212216 [0,2,0,0,0,0|2,0,0]=4 5783 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,2,0,0,0,0|1,0,0]=3 5784 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,2,0,0,0,0|1,0,0]=3 5785 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,2,0,0,0,0|2,0,0]=4 5786 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,2,0,0,0,0|2,0,0]=4 5787 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,2,0,0,0,0|2,0,0]=4 5788 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,2,0,0,0,0|2,0,0]=4 5789 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,2,0,0,0,0|2,0,0]=4 5790 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,2,0,0,0,0|2,0,0]=4 5791 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,2,0,0,0,0|2,0,0]=4 5792 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,2,0,0,0,0|2,0,0]=4 5793 B11R0.40 C=CC(C)COCCCCC=O 7a_100011215527_100000139335 [0,2,0,0,0,0|2,0,0]=4 5794 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [0,2,0,0,0,0|2,0,0]=4 5795 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [0,2,0,0,0,0|2,0,0]=4 5796 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [0,2,0,0,0,0|2,0,0]=4 5797 B11R0.40 C=CC(C)SCCCCCC=O 62a_100011215867_100000139337 [0,2,0,0,0,0|2,0,0]=4 5798 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [0,2,0,0,0,0|2,0,0]=4 5799 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,2,0,0,0,0|2,0,0]=4 5800 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,2,0,0,0,0|2,0,0]=4 5801 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,2,0,0,0,0|2,0,0]=4 5802 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,2,0,0,0,0|2,0,0]=4 5803 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,2,0,0,0,0|2,0,0]=4 5804 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,2,0,0,0,0|2,0,0]=4 5805 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,2,0,0,0,0|2,0,0]=4 5806 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [0,2,0,0,0,0|2,0,0]=4 5807 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [0,2,0,0,0,0|2,0,0]=4 5808 B11R0.40 C=CCCCCCNC(C)CC 2230a_100000209981_100000700193 [0,2,0,0,0,0|2,0,0]=4 5809 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [0,2,0,0,0,0|2,0,0]=4 5810 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [0,2,0,0,0,0|2,0,0]=4 5811 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [0,2,0,0,0,0|2,0,0]=4 5812 B11R0.40 C=CCCCCCSC(C)CC 62a_100000700193_100000758301 [0,2,0,0,0,0|2,0,0]=4 5813 B11R0.40 C=CCCCCCSC(C)CC 62a_100000758301_100000700193 [0,2,0,0,0,0|2,0,0]=4 5814 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [0,2,0,0,0,0|2,0,0]=4 5815 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [0,2,0,0,0,0|2,0,0]=4 5816 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [0,2,0,0,0,0|2,0,0]=4 5817 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [0,2,0,0,0,0|2,0,0]=4 5818 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [0,2,0,0,0,0|2,0,0]=4 5819 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [0,2,0,0,0,0|2,0,0]=4 5820 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [0,2,0,0,0,0|2,0,0]=4 5821 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [0,2,0,0,0,0|2,0,0]=4 5822 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [0,2,0,0,0,0|2,0,0]=4 5823 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [0,2,0,0,0,0|2,0,0]=4 5824 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [0,2,0,0,0,0|2,0,0]=4 5825 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [0,2,0,0,0,0|2,0,0]=4 5826 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [0,2,0,0,0,0|2,0,0]=4 5827 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [0,2,0,0,0,0|2,0,0]=4 5828 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [0,2,0,0,0,0|2,0,0]=4 5829 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [0,2,0,0,0,0|2,0,0]=4 5830 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [0,2,0,0,0,0|2,0,0]=4 5831 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [0,2,0,0,0,0|2,0,0]=4 5832 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [0,2,0,0,0,0|2,0,0]=4 5833 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [0,2,0,0,0,0|2,0,0]=4 5834 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [0,2,0,0,0,0|2,0,0]=4 5835 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [0,2,0,0,0,0|2,0,0]=4 5836 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [0,2,0,0,0,0|2,0,0]=4 5837 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [0,2,0,0,0,0|2,0,0]=4 5838 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [0,2,0,0,0,0|2,0,0]=4 5839 B11R0.40 C=COCCCCOC(C)CC 34a_100000031558_100011215416 [0,2,0,0,0,0|2,0,0]=4 5840 B11R0.40 C=COCCCCOC(C)CC 7a_100000031558_100000758301 [0,2,0,0,0,0|2,0,0]=4 5841 B11R0.40 C=COCCCNCC(C)CC 2230a_100000210767_100000748023 [0,2,0,0,0,0|2,0,0]=4 5842 B11R0.40 C=COCCCNCC(C)CC 270004a_100000210767_100000243153 [0,2,0,0,0,0|2,0,0]=4 5843 B11R0.40 C=COCCCNCC(C)CC 34a_100000210767_100000748023 [0,2,0,0,0,0|2,0,0]=4 5844 B11R0.40 C=COCCCNCC(O)CC 2230a_100000210767_100011218378 [0,2,0,0,0,0|2,0,0]=4 5845 B11R0.40 C=COCCCNCC(O)CC 34a_100000210767_100011218378 [0,2,0,0,0,0|2,0,0]=4 5846 B11R0.40 C=COCCCNC[C@@H](C)CC 2230a_100000210767_100009816398 [0,2,0,0,0,0|2,0,0]=4 5847 B11R0.40 C=COCCCNC[C@@H](C)CC 34a_100000210767_100009816398 [0,2,0,0,0,0|2,0,0]=4 5848 B11R0.40 C=COCCNCCC(C)CC 2230a_100020591266_100000039644 [0,2,0,0,0,0|2,0,0]=4 5849 B11R0.40 C=COCCOCCC(C)CC 7a_100011215188_100000039644 [0,2,0,0,0,0|2,0,0]=4 5850 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [0,2,0,0,0,0|2,0,0]=4 5851 B11R0.40 CC(C#N)NCCCCCC=O 2230a_100000737613_100000139337 [0,2,0,0,0,0|2,0,0]=4 5852 B11R0.40 CC(C#N)SCCCCCC=O 62a_100000139337_100000703298 [0,2,0,0,0,0|2,0,0]=4 5853 B11R0.40 CC(C#N)SCCCCCC=O 62a_100000703298_100000139337 [0,2,0,0,0,0|2,0,0]=4 5854 B11R0.40 CC(CF)OCCCCCC=O 7a_100016041109_100000139337 [0,2,0,0,0,0|2,0,0]=4 5855 B11R0.40 CC(CO)CCNCCCC=O 2230a_106354213184_200011292268 [0,2,0,0,0,0|2,0,0]=4 5856 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [0,2,0,0,0,0|2,0,0]=4 5857 B11R0.40 CC=CCCCOCC(C)CC 34a_100020645299_100000748023 [0,2,0,0,0,0|2,0,0]=4 5858 B11R0.40 CC=CCCCOCC(O)CC 34a_100020645299_100011218378 [0,2,0,0,0,0|2,0,0]=4 5859 B11R0.40 CC=CCCCOC[C@@H](C)CC 34a_100020645299_100009816398 [0,2,0,0,0,0|2,0,0]=4 5860 B11R0.40 CC=CCOCCCC(C)CC 7a_100011216074_100000070051 [0,2,0,0,0,0|2,0,0]=4 5861 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,2,0,0,0,0|2,0,0]=4 5862 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,2,0,0,0,0|2,0,0]=4 5863 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,2,0,0,0,0|2,0,0]=4 5864 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [0,2,0,0,0,0|1,0,1]=4 5865 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [0,2,0,0,0,0|1,0,1]=4 5866 B11R0.40 CCC(=O)NCCCCCC#N 11a_100000061152_100000210414 [0,2,0,0,0,0|1,0,1]=4 5867 B11R0.40 CCC(=O)NCCCCCC#N 1626a_100000061152_100000210414 [0,2,0,0,0,0|1,0,1]=4 5868 B11R0.40 CCC(=O)NCCCCCC#N 240690a_100000061152_100000210414 [0,2,0,0,0,0|1,0,1]=4 5869 B11R0.40 CCC(=O)NCCCCCC#N 527a_100000061152_100000210414 [0,2,0,0,0,0|1,0,1]=4 5870 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,2,0,0,0,0|1,0,0]=3 5871 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,2,0,0,0,0|1,0,0]=3 5872 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,2,0,0,0,0|1,0,0]=3 5873 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,2,0,0,0,0|1,0,0]=3 5874 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,2,0,0,0,0|1,0,0]=3 5875 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,2,0,0,0,0|1,0,0]=3 5876 B11R0.40 CCC(=O)NCCNCCCF 34a_100132302217_100011934791 [0,2,0,0,0,0|2,0,0]=4 5877 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,2,0,0,0,0|2,0,0]=4 5878 B11R0.40 CCC(=O)NCCNCCOC 34a_100132302217_100011201679 [0,2,0,0,0,0|2,0,0]=4 5879 B11R0.40 CCC(=O)NCCNCCSC 34a_100132302217_100000212216 [0,2,0,0,0,0|2,0,0]=4 5880 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [0,2,0,0,0,0|2,0,0]=4 5881 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [0,2,0,0,0,0|2,0,0]=4 5882 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,2,0,0,0,0|2,0,0]=4 5883 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,2,0,0,0,0|2,0,0]=4 5884 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [0,2,0,0,0,0|2,0,0]=4 5885 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [0,2,0,0,0,0|2,0,0]=4 5886 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [0,2,0,0,0,0|2,0,0]=4 5887 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [0,2,0,0,0,0|2,0,0]=4 5888 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [0,2,0,0,0,0|2,0,0]=4 5889 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [0,2,0,0,0,0|2,0,0]=4 5890 B11R0.40 CCC(=O)NCCOCCSC 34a_200000158885_100000212216 [0,2,0,0,0,0|2,0,0]=4 5891 B11R0.40 CCC(=O)NCCOCCSC 7a_200000158885_100000212216 [0,2,0,0,0,0|2,0,0]=4 5892 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [0,2,0,0,0,0|1,0,0]=3 5893 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [0,2,0,0,0,0|1,0,0]=3 5894 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [0,2,0,0,0,0|1,0,0]=3 5895 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [0,2,0,0,0,0|1,0,0]=3 5896 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [0,2,0,0,0,0|1,0,0]=3 5897 B11R0.40 CCC(C)NCCCCCC=O 2230a_100000209981_100000139337 [0,2,0,0,0,0|1,0,0]=3 5898 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [0,2,0,0,0,0|1,0,0]=3 5899 B11R0.40 CCC(C)SCCCCCC=O 62a_100000139337_100000758301 [0,2,0,0,0,0|1,0,0]=3 5900 B11R0.40 CCC(C)SCCCCCC=O 62a_100000758301_100000139337 [0,2,0,0,0,0|1,0,0]=3 5901 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [0,2,0,0,0,0|1,0,0]=3 5902 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [0,2,0,0,0,0|1,0,0]=3 5903 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [0,2,0,0,0,0|1,0,0]=3 5904 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,2,0,0,0,0|1,0,1]=4 5905 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,2,0,0,0,0|1,0,1]=4 5906 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,2,0,0,0,0|1,0,1]=4 5907 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,2,0,0,0,0|1,0,1]=4 5908 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,2,0,0,0,0|1,0,1]=4 5909 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,2,0,0,0,0|1,0,1]=4 5910 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,2,0,0,0,0|1,0,0]=3 5911 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,2,0,0,0,0|1,0,0]=3 5912 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,2,0,0,0,0|1,0,0]=3 5913 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|1,0,0]=3 5914 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,2,0,0,0,0|1,0,0]=3 5915 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,2,0,0,0,0|1,0,0]=3 5916 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,2,0,0,0,0|1,0,0]=3 5917 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,2,0,0,0,0|1,0,0]=3 5918 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,2,0,0,0,0|1,0,1]=4 5919 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,2,0,0,0,0|1,0,1]=4 5920 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,2,0,0,0,0|1,0,1]=4 5921 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,2,0,0,0,0|1,0,1]=4 5922 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,2,0,0,0,0|1,0,1]=4 5923 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,2,0,0,0,0|0,0,0]=2 5924 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,2,0,0,0,0|0,0,0]=2 5925 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,2,0,0,0,0|0,0,0]=2 5926 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,2,0,0,0,0|0,0,0]=2 5927 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,2,0,0,0,0|0,0,0]=2 5928 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,2,0,0,0,0|0,0,0]=2 5929 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,2,0,0,0,0|0,0,0]=2 5930 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,2,0,0,0,0|0,0,0]=2 5931 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,2,0,0,0,0|0,0,0]=2 5932 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,2,0,0,0,0|0,0,0]=2 5933 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,2,0,0,0,0|0,0,0]=2 5934 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,2,0,0,0,0|0,0,0]=2 5935 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000229938_100000184139 [0,2,0,0,0,0|1,0,1]=4 5936 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000737613_100000210681 [0,2,0,0,0,0|1,0,1]=4 5937 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,2,0,0,0,0|1,0,1]=4 5938 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,2,0,0,0,0|1,0,1]=4 5939 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,2,0,0,0,0|0,0,2]=4 5940 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,2,0,0,0,0|0,0,2]=4 5941 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,2,0,0,0,0|2,0,0]=4 5942 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,2,0,0,0,0|2,0,0]=4 5943 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,2,0,0,0,0|2,0,0]=4 5944 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|2,0,0]=4 5945 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|2,0,0]=4 5946 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,2,0,0,0,0|2,0,0]=4 5947 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,2,0,0,0,0|2,0,0]=4 5948 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,2,0,0,0,0|2,0,0]=4 5949 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|2,0,0]=4 5950 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|2,0,0]=4 5951 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,2,0,0,0,0|2,0,0]=4 5952 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,2,0,0,0,0|2,0,0]=4 5953 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,2,0,0,0,0|2,0,0]=4 5954 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,2,0,0,0,0|2,0,0]=4 5955 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,2,0,0,0,0|2,0,0]=4 5956 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,2,0,0,0,0|2,0,0]=4 5957 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,2,0,0,0,0|2,0,0]=4 5958 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,2,0,0,0,0|2,0,0]=4 5959 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,2,0,0,0,0|2,0,0]=4 5960 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,2,0,0,0,0|2,0,0]=4 5961 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,2,0,0,0,0|2,0,0]=4 5962 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,2,0,0,0,0|2,0,0]=4 5963 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,2,0,0,0,0|2,0,0]=4 5964 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,2,0,0,0,0|2,0,0]=4 5965 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,2,0,0,0,0|2,0,0]=4 5966 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,2,0,0,0,0|2,0,0]=4 5967 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,2,0,0,0,0|2,0,0]=4 5968 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,2,0,0,0,0|2,0,0]=4 5969 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,2,0,0,0,0|2,0,0]=4 5970 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,2,0,0,0,0|2,0,0]=4 5971 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,2,0,0,0,0|2,0,0]=4 5972 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,2,0,0,0,0|2,0,0]=4 5973 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,2,0,0,0,0|2,0,0]=4 5974 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,2,0,0,0,0|2,0,0]=4 5975 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,2,0,0,0,0|2,0,0]=4 5976 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,2,0,0,0,0|2,0,0]=4 5977 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [0,2,0,0,0,0|1,0,1]=4 5978 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [0,2,0,0,0,0|1,0,1]=4 5979 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,2,0,0,0,0|1,0,0]=3 5980 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,2,0,0,0,0|1,0,0]=3 5981 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,2,0,0,0,0|2,0,0]=4 5982 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,2,0,0,0,0|2,0,0]=4 5983 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,2,0,0,0,0|2,0,0]=4 5984 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,2,0,0,0,0|2,0,0]=4 5985 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,2,0,0,0,0|2,0,0]=4 5986 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,2,0,0,0,0|2,0,0]=4 5987 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [0,2,0,0,0,0|1,0,1]=4 5988 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,2,0,0,0,0|1,0,0]=3 5989 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,2,0,0,0,0|1,0,0]=3 5990 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,2,0,0,0,0|1,0,0]=3 5991 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,2,0,0,0,0|2,0,0]=4 5992 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,2,0,0,0,0|2,0,0]=4 5993 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,2,0,0,0,0|2,0,0]=4 5994 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,2,0,0,0,0|2,0,0]=4 5995 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,2,0,0,0,0|2,0,0]=4 5996 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,2,0,0,0,0|2,0,0]=4 5997 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,2,0,0,0,0|2,0,0]=4 5998 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,2,0,0,0,0|2,0,0]=4 5999 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [0,2,0,0,0,0|1,0,1]=4 6000 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,2,0,0,0,0|1,0,0]=3 6001 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,2,0,0,0,0|1,0,0]=3 6002 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,2,0,0,0,0|1,0,0]=3 6003 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,2,0,0,0,0|1,0,0]=3 6004 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,2,0,0,0,0|1,0,0]=3 6005 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,2,0,0,0,0|1,0,0]=3 6006 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,2,0,0,0,0|1,0,0]=3 6007 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,2,0,0,0,0|1,0,0]=3 6008 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,2,0,0,0,0|1,0,0]=3 6009 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,2,0,0,0,0|1,0,0]=3 6010 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,2,0,0,0,0|1,0,0]=3 6011 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,2,0,0,0,0|1,0,0]=3 6012 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,2,0,0,0,0|2,0,0]=4 6013 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,2,0,0,0,0|2,0,0]=4 6014 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,2,0,0,0,0|2,0,0]=4 6015 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,2,0,0,0,0|2,0,0]=4 6016 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,2,0,0,0,0|2,0,0]=4 6017 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,2,0,0,0,0|1,0,0]=3 6018 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,2,0,0,0,0|1,0,0]=3 6019 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,2,0,0,0,0|1,0,0]=3 6020 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,2,0,0,0,0|1,0,0]=3 6021 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,2,0,0,0,0|1,0,0]=3 6022 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,2,0,0,0,0|1,0,0]=3 6023 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,2,0,0,0,0|1,0,0]=3 6024 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,2,0,0,0,0|1,0,0]=3 6025 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,2,0,0,0,0|1,0,0]=3 6026 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,2,0,0,0,0|1,0,0]=3 6027 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,2,0,0,0,0|1,0,0]=3 6028 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,2,0,0,0,0|2,0,0]=4 6029 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,2,0,0,0,0|2,0,0]=4 6030 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,2,0,0,0,0|1,0,1]=4 6031 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,2,0,0,0,0|1,0,1]=4 6032 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,2,0,0,0,0|1,0,1]=4 6033 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,2,0,0,0,0|1,0,1]=4 6034 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,2,0,0,0,0|2,0,0]=4 6035 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,2,0,0,0,0|2,0,0]=4 6036 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,2,0,0,0,0|2,0,0]=4 6037 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,2,0,0,0,0|2,0,0]=4 6038 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,2,0,0,0,0|2,0,0]=4 6039 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,2,0,0,0,0|2,0,0]=4 6040 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [0,2,0,0,0,0|1,0,0]=3 6041 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [0,2,0,0,0,0|1,0,0]=3 6042 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [0,2,0,0,0,0|1,0,0]=3 6043 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,2,0,0,0,0|2,0,0]=4 6044 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100000061152_106832991635 [0,2,0,0,0,0|1,0,1]=4 6045 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100102657272_100000061152 [0,2,0,0,0,0|1,0,1]=4 6046 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100000061152_100102657272 [0,2,0,0,0,0|1,0,1]=4 6047 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100102657272_100000061152 [0,2,0,0,0,0|1,0,1]=4 6048 B11R0.40 CNC(=O)NCCCCCC#N 512a_100000061152_100102657272 [0,2,0,0,0,0|1,0,1]=4 6049 B11R0.40 CNC(=O)NCCCCCC#N 512a_106832991638_100000061152 [0,2,0,0,0,0|1,0,1]=4 6050 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,2,0,0,0,0|1,0,0]=3 6051 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,2,0,0,0,0|1,0,0]=3 6052 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,2,0,0,0,0|1,0,0]=3 6053 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,2,0,0,0,0|1,0,0]=3 6054 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,2,0,0,0,0|1,0,0]=3 6055 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,2,0,0,0,0|1,0,0]=3 6056 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,2,0,0,0,0|1,0,0]=3 6057 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,2,0,0,0,0|1,0,0]=3 6058 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,2,0,0,0,0|1,0,0]=3 6059 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,2,0,0,0,0|1,0,0]=3 6060 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,2,0,0,0,0|1,0,0]=3 6061 B11R0.40 CNC(=O)NCCNCCCF 34a_100015205895_100011934791 [0,2,0,0,0,0|2,0,0]=4 6062 B11R0.40 CNC(=O)NCCNCCCO 34a_100015205895_100000230001 [0,2,0,0,0,0|2,0,0]=4 6063 B11R0.40 CNC(=O)NCCNCCOC 34a_100015205895_100011201679 [0,2,0,0,0,0|2,0,0]=4 6064 B11R0.40 CNC(=O)NCCNCCSC 34a_100015205895_100000212216 [0,2,0,0,0,0|2,0,0]=4 6065 B11R0.40 CNC(=O)NCCOCCOC 2708a_100000745349_106832991635 [0,2,0,0,0,0|2,0,0]=4 6066 B11R0.40 CNC(=O)NCCOCCOC 2708a_100102657272_100000745349 [0,2,0,0,0,0|2,0,0]=4 6067 B11R0.40 CNC(=O)NCCOCCOC 273464a_100000745349_100102657272 [0,2,0,0,0,0|2,0,0]=4 6068 B11R0.40 CNC(=O)NCCOCCOC 273464a_100102657272_100000745349 [0,2,0,0,0,0|2,0,0]=4 6069 B11R0.40 CNC(=O)NCCOCCOC 512a_100000745349_100102657272 [0,2,0,0,0,0|2,0,0]=4 6070 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,2,0,0,0,0|2,0,0]=4 6071 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,2,0,0,0,0|2,0,0]=4 6072 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,2,0,0,0,0|2,0,0]=4 6073 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,2,0,0,0,0|2,0,0]=4 6074 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,2,0,0,0,0|2,0,0]=4 6075 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,2,0,0,0,0|2,0,0]=4 6076 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,2,0,0,0,0|2,0,0]=4 6077 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,2,0,0,0,0|2,0,0]=4 6078 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,2,0,0,0,0|2,0,0]=4 6079 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,2,0,0,0,0|2,0,0]=4 6080 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,2,0,0,0,0|2,0,0]=4 6081 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,2,0,0,0,0|2,0,0]=4 6082 B11R0.40 COC(C)CCOCCCC=O 7a_100000764861_200011292268 [0,2,0,0,0,0|2,0,0]=4 6083 B11R0.40 COC(C)SCCCCCC=O 62a_100000139337_100009879195 [0,2,0,0,0,0|2,0,0]=4 6084 B11R0.40 COC(C)SCCCCCC=O 62a_100009879195_100000139337 [0,2,0,0,0,0|2,0,0]=4 6085 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,2,0,0,0,0|2,0,0]=4 6086 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,2,0,0,0,0|2,0,0]=4 6087 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,2,0,0,0,0|2,0,0]=4 6088 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,2,0,0,0,0|2,0,0]=4 6089 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,2,0,0,0,0|1,0,0]=3 6090 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,2,0,0,0,0|1,0,0]=3 6091 B11R0.40 COCCOCCNC(=O)CO 240690a_100000745349_100000210174 [0,2,0,0,0,0|2,0,0]=4 6092 B11R0.40 COCCOCCNC(=O)CO 527a_100000745349_100000210174 [0,2,0,0,0,0|2,0,0]=4 6093 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,2,0,0,0,0|2,0,0]=4 6094 B11R0.40 CO[C@H](C)CNCCCCC=O 2230a_100020591295_100000139335 [0,2,0,0,0,0|2,0,0]=4 6095 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [0,2,0,0,0,0|2,0,0]=4 6096 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [0,2,0,0,0,0|2,0,0]=4 6097 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [0,2,0,0,0,0|2,0,0]=4 6098 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [0,2,0,0,0,0|2,0,0]=4 6099 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [0,2,0,0,0,0|2,0,0]=4 6100 B11R0.40 N#CCCCCCNC(=O)CO 240690a_100000061152_100000210174 [0,2,0,0,0,0|1,0,1]=4 6101 B11R0.40 N#CCCCCCNC(=O)CO 527a_100000061152_100000210174 [0,2,0,0,0,0|1,0,1]=4 6102 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,2,0,0,0,0|2,0,0]=4 6103 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|2,0,0]=4 6104 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,2,0,0,0,0|1,0,0]=3 6105 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,2,0,0,0,0|1,0,0]=3 6106 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [0,2,0,0,0,0|2,0,0]=4 6107 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [0,2,0,0,0,0|2,0,0]=4 6108 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [0,2,0,0,0,0|2,0,0]=4 6109 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100000139335_100015614560 [0,2,0,0,0,0|2,0,0]=4 6110 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100015614560_100000139335 [0,2,0,0,0,0|2,0,0]=4 6111 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [0,2,0,0,0,0|2,0,0]=4 6112 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [0,2,0,0,0,0|2,0,0]=4 6113 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,2,0,0,0,0|2,0,0]=4 6114 B11R0.42 CC(C)C(C)NCCCCC=O 2230a_100000211541_100000139335 [0,2,0,0,0,0|2,0,0]=4 6115 B11R0.42 CC(C)C(C)OCCCCC=O 7a_100000748068_100000139335 [0,2,0,0,0,0|2,0,0]=4 6116 B11R0.42 CC(C)C(O)CNCCCC=O 2230a_100000759067_200011292268 [0,2,0,0,0,0|2,0,0]=4 6117 B11R0.42 CC(C)N(C)CCCCCC=O 269982a_200000211004_100000139337 [0,2,0,0,0,0|2,0,0]=4 6118 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,2,0,0,0,0|1,0,0]=3 6119 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,2,0,0,0,0|0,0,0]=2 6120 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,2,0,0,0,0|0,0,0]=2 6121 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,2,0,0,0,0|0,0,0]=2 6122 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,2,0,0,0,0|0,0,0]=2 6123 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [0,2,0,0,0,0|1,0,1]=4 6124 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [0,2,0,0,0,0|1,0,1]=4 6125 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [0,2,0,0,0,0|1,0,1]=4 6126 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,2,0,0,0,0|2,0,0]=4 6127 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,2,0,0,0,0|2,0,0]=4 6128 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,2,0,0,0,0|2,0,0]=4 6129 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,2,0,0,0,0|2,0,0]=4 6130 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|2,0,0]=4 6131 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,2,0,0,0,0|2,0,0]=4 6132 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,2,0,0,0,0|2,0,0]=4 6133 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,2,0,0,0,0|2,0,0]=4 6134 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,2,0,0,0,0|2,0,0]=4 6135 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,2,0,0,0,0|2,0,0]=4 6136 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,2,0,0,0,0|2,0,0]=4 6137 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,2,0,0,0,0|2,0,0]=4 6138 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,2,0,0,0,0|2,0,0]=4 6139 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,2,0,0,0,0|2,0,0]=4 6140 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,2,0,0,0,0|2,0,0]=4 6141 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,2,0,0,0,0|2,0,0]=4 6142 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,2,0,0,0,0|2,0,0]=4 6143 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,2,0,0,0,0|2,0,0]=4 6144 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,2,0,0,0,0|2,0,0]=4 6145 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,2,0,0,0,0|2,0,0]=4 6146 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,2,0,0,0,0|2,0,0]=4 6147 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,2,0,0,0,0|2,0,0]=4 6148 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,2,0,0,0,0|2,0,0]=4 6149 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,2,0,0,0,0|2,0,0]=4 6150 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,2,0,0,0,0|2,0,0]=4 6151 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|2,0,0]=4 6152 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,2,0,0,0,0|2,0,0]=4 6153 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,2,0,0,0,0|2,0,0]=4 6154 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,2,0,0,0,0|2,0,0]=4 6155 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,2,0,0,0,0|2,0,0]=4 6156 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|2,0,0]=4 6157 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,2,0,0,0,0|2,0,0]=4 6158 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,2,0,0,0,0|2,0,0]=4 6159 B11R0.46 CC(=O)NCC(=O)CCCCF 1458a_100000194580_100000729493 [0,2,0,0,0,0|1,0,1]=4 6160 B11R0.46 CC(=O)NCC(=O)CCCCO 1458a_100000194580_100000210776 [0,2,0,0,0,0|1,0,1]=4 6161 B11R0.46 CC(C)CCN(C)CCCC=O 2230a_100000742789_200011292268 [0,2,0,0,0,0|2,0,0]=4 6162 B11R0.46 CC(C)CCN(C)CCCC=O 269982a_100000742789_200011292268 [0,2,0,0,0,0|2,0,0]=4 6163 B11R0.46 CCCCCC(=NNC(=O)C)C 4a_100000189765_100000211708 [0,2,0,0,0,0|1,0,1]=4 6164 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,2,0,0,0,0|1,0,1]=4 6165 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,2,0,0,0,0|0,0,1]=3 6166 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [0,2,0,0,0,0|0,0,1]=3 6167 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,2,0,0,0,0|1,0,1]=4 6168 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,2,0,0,0,0|1,0,1]=4 6169 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [0,2,0,0,0,0|1,0,1]=4 6170 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [0,2,0,0,0,0|1,0,1]=4 6171 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,2,0,0,0,0|1,0,0]=3 6172 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,2,0,0,0,0|1,0,0]=3 6173 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [0,2,0,0,0,0|2,0,0]=4 6174 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [0,2,0,0,0,0|2,0,0]=4 6175 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,2,0,0,0,0|2,0,0]=4 6176 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,2,0,0,0,0|2,0,0]=4 6177 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,2,0,0,0,0|2,0,0]=4 6178 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,2,0,0,0,0|2,0,0]=4 6179 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,2,0,0,0,0|2,0,0]=4 6180 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [0,2,0,0,0,0|2,0,0]=4 6181 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [0,2,0,0,0,0|2,0,0]=4 6182 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [0,2,0,0,0,0|2,0,0]=4 6183 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [0,2,0,0,0,0|2,0,0]=4 6184 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,2,0,0,0,0|2,0,0]=4 6185 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,2,0,0,0,0|2,0,0]=4 6186 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [0,2,0,0,0,0|2,0,0]=4 6187 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [0,2,0,0,0,0|2,0,0]=4 6188 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [0,2,0,0,0,0|2,0,0]=4 6189 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,2,0,0,0,0|2,0,0]=4 6190 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,2,0,0,0,0|2,0,0]=4 6191 B11R0.46 CCCCNC(=O)CNC(=O)C 11a_100000102301_100000194580 [0,2,0,0,0,0|1,0,1]=4 6192 B11R0.46 CCCCNC(=O)CNC(=O)C 1626a_100000102301_100000194580 [0,2,0,0,0,0|1,0,1]=4 6193 B11R0.46 CCCCNC(=O)CNC(=O)C 240690a_100000102301_100000194580 [0,2,0,0,0,0|1,0,1]=4 6194 B11R0.46 CCCCNC(=O)CNC(=O)C 527a_100000102301_100000194580 [0,2,0,0,0,0|1,0,1]=4 6195 B11R0.46 CCCCNC(=O)CNC(=O)N 240690a_100000102301_100000184981 [0,2,0,0,0,0|1,0,1]=4 6196 B11R0.46 CCCCNC(=O)CNC(=O)N 527a_100000102301_100000184981 [0,2,0,0,0,0|1,0,1]=4 6197 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,2,0,0,0,0|2,0,0]=4 6198 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [0,2,0,0,0,0|2,0,0]=4 6199 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [0,2,0,0,0,0|2,0,0]=4 6200 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [0,2,0,0,0,0|2,0,0]=4 6201 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [0,2,0,0,0,0|2,0,0]=4 6202 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [0,2,0,0,0,0|2,0,0]=4 6203 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [0,2,0,0,0,0|2,0,0]=4 6204 B11R0.46 CCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215890 [0,2,0,0,0,0|1,0,1]=4 6205 B11R0.46 CCOCCC(=O)CNC(=O)N 1458a_100000184981_100011215890 [0,2,0,0,0,0|1,0,1]=4 6206 B11R0.46 CCSCCC(=O)CNC(=O)C 1458a_100000194580_100000757381 [0,2,0,0,0,0|1,0,1]=4 6207 B11R0.46 CCSCCC(=O)CNC(=O)N 1458a_100000184981_100000757381 [0,2,0,0,0,0|1,0,1]=4 6208 B11R0.46 COCCCC(=O)CNC(=O)C 1458a_100000194580_100000740836 [0,2,0,0,0,0|1,0,1]=4 6209 B11R0.46 COCCCC(=O)CNC(=O)N 1458a_100000184981_100000740836 [0,2,0,0,0,0|1,0,1]=4 6210 B11R0.46 NC(=O)NCC(=O)CCCCF 1458a_100000184981_100000729493 [0,2,0,0,0,0|1,0,1]=4 6211 B11R0.46 NC(=O)NCC(=O)CCCCO 1458a_100000184981_100000210776 [0,2,0,0,0,0|1,0,1]=4 6212 B11R0.111 C=CC(=O)CCCCCC(C)C 1458a_100000185746_100000210682 [0,2,0,0,0,0|2,0,0]=4 6213 B11R0.111 CC(=O)NCCCNC(C)CO 34a_100000736810_100012180447 [0,2,0,0,0,0|2,0,0]=4 6214 B11R0.111 CC(=O)NCCCOC(C)CO 34a_100000752032_100012180447 [0,2,0,0,0,0|2,0,0]=4 6215 B11R0.111 CC(=O)NCCNCC(O)CO 2230a_100000209853_100011219619 [0,2,0,0,0,0|2,0,0]=4 6216 B11R0.111 CC(=O)NCCNC[C@@H](C)CO 2230a_100000209853_100000059175 [0,2,0,0,0,0|2,0,0]=4 6217 B11R0.111 CC(=O)NCCNC[C@@H](O)CF 2230a_100000209853_100015614560 [0,2,0,0,0,0|2,0,0]=4 6218 B11R0.111 CC(=O)NCCNC[C@@H](O)CO 2230a_100000209853_100009815848 [0,2,0,0,0,0|2,0,0]=4 6219 B11R0.111 CC(=O)NCCNC[C@H](O)CO 2230a_100020644852_100000189650 [0,2,0,0,0,0|2,0,0]=4 6220 B11R0.111 CC(=O)NCCOCC(O)CO 34a_100000158858_100011219619 [0,2,0,0,0,0|2,0,0]=4 6221 B11R0.111 CC(=O)NCCOC[C@@H](C)CO 34a_100000158858_100000059175 [0,2,0,0,0,0|2,0,0]=4 6222 B11R0.111 CC(=O)NCCOC[C@@H](O)CF 34a_100000158858_100015614560 [0,2,0,0,0,0|2,0,0]=4 6223 B11R0.111 CC(=O)NCCOC[C@@H](O)CO 34a_100000158858_100009815848 [0,2,0,0,0,0|2,0,0]=4 6224 B11R0.111 CC(=O)NCCSCC(O)CO 62a_100000189650_100011219619 [0,2,0,0,0,0|2,0,0]=4 6225 B11R0.111 CC(=O)NCCSCC(O)CO 62a_100011219619_100000189650 [0,2,0,0,0,0|2,0,0]=4 6226 B11R0.111 CC(=O)NCCSC[C@@H](C)CO 62a_100000059175_100000189650 [0,2,0,0,0,0|2,0,0]=4 6227 B11R0.111 CC(=O)NCCSC[C@@H](C)CO 62a_100000189650_100000059175 [0,2,0,0,0,0|2,0,0]=4 6228 B11R0.111 CC(=O)NCCSC[C@@H](O)CF 62a_100000189650_100015614560 [0,2,0,0,0,0|2,0,0]=4 6229 B11R0.111 CC(=O)NCCSC[C@@H](O)CF 62a_100015614560_100000189650 [0,2,0,0,0,0|2,0,0]=4 6230 B11R0.111 CC(=O)NCCSC[C@@H](O)CO 62a_100000189650_100009815848 [0,2,0,0,0,0|2,0,0]=4 6231 B11R0.111 CC(=O)NCCSC[C@@H](O)CO 62a_100009815848_100000189650 [0,2,0,0,0,0|2,0,0]=4 6232 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,2,0,0,0,0|1,0,1]=4 6233 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,2,0,0,0,0|1,0,1]=4 6234 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,2,0,0,0,0|1,0,1]=4 6235 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000189650_100000747405 [0,2,0,0,0,0|1,0,1]=4 6236 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000747405_100000189650 [0,2,0,0,0,0|1,0,1]=4 6237 B11R0.111 CCC(=O)CSCCNC(=O)N 62a_100000747405_200000034859 [0,2,0,0,0,0|1,0,1]=4 6238 B11R0.111 CCC(=O)CSCCNC(=O)N 62a_200000034859_100000747405 [0,2,0,0,0,0|1,0,1]=4 6239 B11R0.111 CCC(=O)NCCCNC(=O)C 11a_100000736810_100000210414 [0,2,0,0,0,0|1,0,1]=4 6240 B11R0.111 CCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210414 [0,2,0,0,0,0|1,0,1]=4 6241 B11R0.111 CCC(=O)NCCCNC(=O)C 527a_100000736810_100000210414 [0,2,0,0,0,0|1,0,1]=4 6242 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [0,2,0,0,0,0|2,0,0]=4 6243 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [0,2,0,0,0,0|2,0,0]=4 6244 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,2,0,0,0,0|2,0,0]=4 6245 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [0,2,0,0,0,0|2,0,0]=4 6246 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [0,2,0,0,0,0|2,0,0]=4 6247 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100000209853_100000748023 [0,2,0,0,0,0|1,0,0]=3 6248 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100020588543_100000189650 [0,2,0,0,0,0|1,0,0]=3 6249 B11R0.111 CCC(C)CNCCNC(=O)N 2230a_100020588543_200000034859 [0,2,0,0,0,0|1,0,0]=3 6250 B11R0.111 CCC(C)CNCCNC(=O)N 34a_100020590234_100000748023 [0,2,0,0,0,0|1,0,0]=3 6251 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,2,0,0,0,0|2,0,0]=4 6252 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,2,0,0,0,0|2,0,0]=4 6253 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [0,2,0,0,0,0|1,0,0]=3 6254 B11R0.111 CCC(C)COCCNC(=O)N 34a_100000181757_100000748023 [0,2,0,0,0,0|1,0,0]=3 6255 B11R0.111 CCC(C)COCCOC(=O)N 7a_100000766696_100000748023 [0,2,0,0,0,0|2,0,0]=4 6256 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,2,0,0,0,0|2,0,0]=4 6257 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,2,0,0,0,0|2,0,0]=4 6258 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [0,2,0,0,0,0|2,0,0]=4 6259 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [0,2,0,0,0,0|2,0,0]=4 6260 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000189650_100000748023 [0,2,0,0,0,0|1,0,0]=3 6261 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000748023_100000189650 [0,2,0,0,0,0|1,0,0]=3 6262 B11R0.111 CCC(C)CSCCNC(=O)N 62a_100000748023_200000034859 [0,2,0,0,0,0|1,0,0]=3 6263 B11R0.111 CCC(C)CSCCNC(=O)N 62a_200000034859_100000748023 [0,2,0,0,0,0|1,0,0]=3 6264 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [0,2,0,0,0,0|2,0,0]=4 6265 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [0,2,0,0,0,0|2,0,0]=4 6266 B11R0.111 CCC(C)CSCCOC(=O)N 62a_100000748023_200011214921 [0,2,0,0,0,0|2,0,0]=4 6267 B11R0.111 CCC(C)CSCCOC(=O)N 62a_200011214921_100000748023 [0,2,0,0,0,0|2,0,0]=4 6268 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [0,2,0,0,0,0|2,0,0]=4 6269 B11R0.111 CCC(C)NCCCNC(=O)C 34a_100000736810_100011215416 [0,2,0,0,0,0|1,0,0]=3 6270 B11R0.111 CCC(C)NCCCSC(=O)C 2230a_100000209981_100000038929 [0,2,0,0,0,0|2,0,0]=4 6271 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,2,0,0,0,0|2,0,0]=4 6272 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [0,2,0,0,0,0|2,0,0]=4 6273 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [0,2,0,0,0,0|2,0,0]=4 6274 B11R0.111 CCC(C)OCCCNC(=O)C 34a_100000752032_100011215416 [0,2,0,0,0,0|1,0,0]=3 6275 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [0,2,0,0,0,0|2,0,0]=4 6276 B11R0.111 CCC(C)OCCCSC(=O)C 7a_100000210228_100000038929 [0,2,0,0,0,0|2,0,0]=4 6277 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,2,0,0,0,0|2,0,0]=4 6278 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,2,0,0,0,0|2,0,0]=4 6279 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [0,2,0,0,0,0|2,0,0]=4 6280 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [0,2,0,0,0,0|2,0,0]=4 6281 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000038929_100000758301 [0,2,0,0,0,0|2,0,0]=4 6282 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000758301_100000038929 [0,2,0,0,0,0|2,0,0]=4 6283 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [0,2,0,0,0,0|2,0,0]=4 6284 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [0,2,0,0,0,0|1,0,0]=3 6285 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [0,2,0,0,0,0|1,0,0]=3 6286 B11R0.111 CCC(O)CNCCNC(=O)N 2230a_100011218483_200000034859 [0,2,0,0,0,0|1,0,0]=3 6287 B11R0.111 CCC(O)CNCCNC(=O)N 34a_100020590234_100011218378 [0,2,0,0,0,0|1,0,0]=3 6288 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,2,0,0,0,0|2,0,0]=4 6289 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,2,0,0,0,0|2,0,0]=4 6290 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [0,2,0,0,0,0|1,0,0]=3 6291 B11R0.111 CCC(O)COCCNC(=O)N 34a_100000181757_100011218378 [0,2,0,0,0,0|1,0,0]=3 6292 B11R0.111 CCC(O)COCCOC(=O)N 7a_100000766696_100011218378 [0,2,0,0,0,0|2,0,0]=4 6293 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,2,0,0,0,0|2,0,0]=4 6294 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,2,0,0,0,0|2,0,0]=4 6295 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [0,2,0,0,0,0|2,0,0]=4 6296 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [0,2,0,0,0,0|2,0,0]=4 6297 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [0,2,0,0,0,0|1,0,0]=3 6298 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [0,2,0,0,0,0|1,0,0]=3 6299 B11R0.111 CCC(O)CSCCNC(=O)N 62a_100011218378_200000034859 [0,2,0,0,0,0|1,0,0]=3 6300 B11R0.111 CCC(O)CSCCNC(=O)N 62a_200000034859_100011218378 [0,2,0,0,0,0|1,0,0]=3 6301 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [0,2,0,0,0,0|2,0,0]=4 6302 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [0,2,0,0,0,0|2,0,0]=4 6303 B11R0.111 CCC(O)CSCCOC(=O)N 62a_100011218378_200011214921 [0,2,0,0,0,0|2,0,0]=4 6304 B11R0.111 CCC(O)CSCCOC(=O)N 62a_200011214921_100011218378 [0,2,0,0,0,0|2,0,0]=4 6305 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [0,2,0,0,0,0|2,0,0]=4 6306 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [0,2,0,0,0,0|2,0,0]=4 6307 B11R0.111 CCN(C)CCCCCC(C)C 2230a_100000225621_100000210682 [0,2,0,0,0,0|1,0,1]=4 6308 B11R0.111 CCN(C)CCCCCC(C)C 269982a_100000225621_100000210682 [0,2,0,0,0,0|1,0,1]=4 6309 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [0,2,0,0,0,0|2,0,0]=4 6310 B11R0.111 CCN(C)CCCCSC(=O)C 2230a_100000225621_200010402107 [0,2,0,0,0,0|2,0,0]=4 6311 B11R0.111 CCN(C)CCCCSC(=O)C 269982a_100000225621_200010402107 [0,2,0,0,0,0|2,0,0]=4 6312 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [0,2,0,0,0,0|2,0,0]=4 6313 B11R0.111 CC[C@H](C)CNCCNC(=O)C 2230a_100000209853_100009816398 [0,2,0,0,0,0|1,0,0]=3 6314 B11R0.111 CC[C@H](C)CNCCNC(=O)N 34a_100020590234_100009816398 [0,2,0,0,0,0|1,0,0]=3 6315 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,2,0,0,0,0|2,0,0]=4 6316 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,2,0,0,0,0|2,0,0]=4 6317 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,2,0,0,0,0|2,0,0]=4 6318 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [0,2,0,0,0,0|2,0,0]=4 6319 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [0,2,0,0,0,0|1,0,0]=3 6320 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [0,2,0,0,0,0|1,0,0]=3 6321 B11R0.111 CC[C@H](C)COCCNC(=O)N 34a_100000181757_100009816398 [0,2,0,0,0,0|1,0,0]=3 6322 B11R0.111 CC[C@H](C)COCCNC(=O)N 7a_100009816381_200000034859 [0,2,0,0,0,0|1,0,0]=3 6323 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [0,2,0,0,0,0|2,0,0]=4 6324 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100000766696_100009816398 [0,2,0,0,0,0|2,0,0]=4 6325 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100009816381_200011214921 [0,2,0,0,0,0|2,0,0]=4 6326 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,2,0,0,0,0|2,0,0]=4 6327 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,2,0,0,0,0|2,0,0]=4 6328 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [0,2,0,0,0,0|2,0,0]=4 6329 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [0,2,0,0,0,0|2,0,0]=4 6330 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100000189650_100009816398 [0,2,0,0,0,0|1,0,0]=3 6331 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100009816398_100000189650 [0,2,0,0,0,0|1,0,0]=3 6332 B11R0.111 CC[C@H](C)CSCCNC(=O)N 62a_100009816398_200000034859 [0,2,0,0,0,0|1,0,0]=3 6333 B11R0.111 CC[C@H](C)CSCCNC(=O)N 62a_200000034859_100009816398 [0,2,0,0,0,0|1,0,0]=3 6334 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [0,2,0,0,0,0|2,0,0]=4 6335 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [0,2,0,0,0,0|2,0,0]=4 6336 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_100009816398_200011214921 [0,2,0,0,0,0|2,0,0]=4 6337 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_200011214921_100009816398 [0,2,0,0,0,0|2,0,0]=4 6338 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,2,0,0,0,0|1,0,1]=4 6339 B11R0.111 CO[C@H](C)CNCCNC(=O)C 2230a_100020591295_100000189650 [0,2,0,0,0,0|2,0,0]=4 6340 B11R0.111 CO[C@H](C)CNCCNC(=O)N 2230a_100020591295_200000034859 [0,2,0,0,0,0|2,0,0]=4 6341 B11R0.111 C[C@@H](CO)CNCCNC(=O)N 34a_100020590234_100000059175 [0,2,0,0,0,0|2,0,0]=4 6342 B11R0.111 C[C@@H](CO)COCCNC(=O)N 34a_100000181757_100000059175 [0,2,0,0,0,0|2,0,0]=4 6343 B11R0.111 C[C@@H](CO)CSCCNC(=O)N 62a_100000059175_200000034859 [0,2,0,0,0,0|2,0,0]=4 6344 B11R0.111 C[C@@H](CO)CSCCNC(=O)N 62a_200000034859_100000059175 [0,2,0,0,0,0|2,0,0]=4 6345 B11R0.111 NC(=O)NCCNC[C@@H](O)CF 34a_100020590234_100015614560 [0,2,0,0,0,0|2,0,0]=4 6346 B11R0.111 NC(=O)NCCOCC(O)CO 34a_100000181757_100011219619 [0,2,0,0,0,0|2,0,0]=4 6347 B11R0.111 NC(=O)NCCOC[C@@H](O)CF 34a_100000181757_100015614560 [0,2,0,0,0,0|2,0,0]=4 6348 B11R0.111 NC(=O)NCCOC[C@@H](O)CO 34a_100000181757_100009815848 [0,2,0,0,0,0|2,0,0]=4 6349 B11R0.111 NC(=O)NCCSCC(O)CO 62a_100011219619_200000034859 [0,2,0,0,0,0|2,0,0]=4 6350 B11R0.111 NC(=O)NCCSCC(O)CO 62a_200000034859_100011219619 [0,2,0,0,0,0|2,0,0]=4 6351 B11R0.111 NC(=O)NCCSC[C@@H](O)CF 62a_100015614560_200000034859 [0,2,0,0,0,0|2,0,0]=4 6352 B11R0.111 NC(=O)NCCSC[C@@H](O)CF 62a_200000034859_100015614560 [0,2,0,0,0,0|2,0,0]=4 6353 B11R0.111 NC(=O)NCCSC[C@@H](O)CO 62a_100009815848_200000034859 [0,2,0,0,0,0|2,0,0]=4 6354 B11R0.111 NC(=O)NCCSC[C@@H](O)CO 62a_200000034859_100009815848 [0,2,0,0,0,0|2,0,0]=4 6355 B11R0.147 CC(=O)NCCC(=O)CCCF 1458a_100000183196_100011934791 [0,2,0,0,0,0|1,0,1]=4 6356 B11R0.147 CC(=O)NCCC(=O)CCCO 1458a_100000183196_100011215043 [0,2,0,0,0,0|1,0,1]=4 6357 B11R0.147 CC(=O)NCCN(C)CCCO 2230a_100000213112_100000189650 [0,2,0,0,0,0|2,0,0]=4 6358 B11R0.147 CC(=O)NCCN(C)CCCO 269982a_100000213112_100000189650 [0,2,0,0,0,0|2,0,0]=4 6359 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [0,2,0,0,0,0|2,0,0]=4 6360 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [0,2,0,0,0,0|2,0,0]=4 6361 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [0,2,0,0,0,0|2,0,0]=4 6362 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|1,0,1]=4 6363 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,2,0,0,0,0|1,0,1]=4 6364 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,2,0,0,0,0|0,0,1]=3 6365 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,2,0,0,0,0|0,0,1]=3 6366 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210211 [0,2,0,0,0,0|0,0,1]=3 6367 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000210183_200000034859 [0,2,0,0,0,0|0,0,1]=3 6368 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,2,0,0,0,0|1,0,1]=4 6369 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [0,2,0,0,0,0|1,0,1]=4 6370 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,2,0,0,0,0|1,0,1]=4 6371 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [0,2,0,0,0,0|2,0,0]=4 6372 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [0,2,0,0,0,0|2,0,0]=4 6373 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [0,2,0,0,0,0|2,0,0]=4 6374 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [0,2,0,0,0,0|2,0,0]=4 6375 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,2,0,0,0,0|2,0,0]=4 6376 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,2,0,0,0,0|2,0,0]=4 6377 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,2,0,0,0,0|2,0,0]=4 6378 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [0,2,0,0,0,0|2,0,0]=4 6379 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [0,2,0,0,0,0|2,0,0]=4 6380 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [0,2,0,0,0,0|2,0,0]=4 6381 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [0,2,0,0,0,0|2,0,0]=4 6382 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [0,2,0,0,0,0|2,0,0]=4 6383 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,2,0,0,0,0|2,0,0]=4 6384 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,2,0,0,0,0|2,0,0]=4 6385 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [0,2,0,0,0,0|2,0,0]=4 6386 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [0,2,0,0,0,0|2,0,0]=4 6387 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [0,2,0,0,0,0|2,0,0]=4 6388 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [0,2,0,0,0,0|2,0,0]=4 6389 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,2,0,0,0,0|2,0,0]=4 6390 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [0,2,0,0,0,0|2,0,0]=4 6391 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,2,0,0,0,0|2,0,0]=4 6392 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [0,2,0,0,0,0|1,0,0]=3 6393 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [0,2,0,0,0,0|1,0,0]=3 6394 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [0,2,0,0,0,0|1,0,0]=3 6395 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [0,2,0,0,0,0|1,0,0]=3 6396 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [0,2,0,0,0,0|1,0,0]=3 6397 B11R0.147 CCCCN(C)CCNC(=O)N 2230a_100000207549_200000034859 [0,2,0,0,0,0|1,0,0]=3 6398 B11R0.147 CCCCN(C)CCNC(=O)N 269982a_100000207549_200000034859 [0,2,0,0,0,0|1,0,0]=3 6399 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [0,2,0,0,0,0|2,0,0]=4 6400 B11R0.147 CCCCN(C)CCOC(=O)N 269982a_100000207549_200011214921 [0,2,0,0,0,0|2,0,0]=4 6401 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [0,2,0,0,0,0|2,0,0]=4 6402 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [0,2,0,0,0,0|2,0,0]=4 6403 B11R0.147 CCCNC(=O)CCNC(=O)C 11a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 6404 B11R0.147 CCCNC(=O)CCNC(=O)C 1626a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 6405 B11R0.147 CCCNC(=O)CCNC(=O)C 240690a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 6406 B11R0.147 CCCNC(=O)CCNC(=O)C 527a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 6407 B11R0.147 CCCNC(=O)CCNC(=O)N 240690a_100020643023_100000181464 [0,2,0,0,0,0|1,0,1]=4 6408 B11R0.147 CCCNC(=O)CCNC(=O)N 527a_100020643023_100000181464 [0,2,0,0,0,0|1,0,1]=4 6409 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [0,2,0,0,0,0|2,0,0]=4 6410 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,2,0,0,0,0|1,0,1]=4 6411 B11R0.147 CCOCC(=O)CCNC(=O)N 1458a_100000211967_200000034859 [0,2,0,0,0,0|1,0,1]=4 6412 B11R0.147 CCSCC(=O)CCNC(=O)C 1458a_100000230394_100000189650 [0,2,0,0,0,0|1,0,1]=4 6413 B11R0.147 CCSCC(=O)CCNC(=O)N 1458a_100000230394_200000034859 [0,2,0,0,0,0|1,0,1]=4 6414 B11R0.147 CN(CCCO)CCNC(=O)N 2230a_100000213112_200000034859 [0,2,0,0,0,0|2,0,0]=4 6415 B11R0.147 CN(CCCO)CCNC(=O)N 269982a_100000213112_200000034859 [0,2,0,0,0,0|2,0,0]=4 6416 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000183196_100000233755 [0,2,0,0,0,0|1,0,1]=4 6417 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000749529_100000189650 [0,2,0,0,0,0|1,0,1]=4 6418 B11R0.147 COCCC(=O)CCNC(=O)N 1458a_100000181464_100000233755 [0,2,0,0,0,0|1,0,1]=4 6419 B11R0.147 COCCC(=O)CCNC(=O)N 1458a_100000749529_200000034859 [0,2,0,0,0,0|1,0,1]=4 6420 B11R0.147 COCCN(C)CCNC(=O)C 2230a_100000743101_100000189650 [0,2,0,0,0,0|2,0,0]=4 6421 B11R0.147 COCCN(C)CCNC(=O)C 269982a_100000743101_100000189650 [0,2,0,0,0,0|2,0,0]=4 6422 B11R0.147 COCCN(C)CCNC(=O)N 2230a_100000743101_200000034859 [0,2,0,0,0,0|2,0,0]=4 6423 B11R0.147 COCCN(C)CCNC(=O)N 269982a_100000743101_200000034859 [0,2,0,0,0,0|2,0,0]=4 6424 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000174002_100000189650 [0,2,0,0,0,0|1,0,1]=4 6425 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000183196_100000751147 [0,2,0,0,0,0|1,0,1]=4 6426 B11R0.147 CSCCC(=O)CCNC(=O)N 1458a_100000174002_200000034859 [0,2,0,0,0,0|1,0,1]=4 6427 B11R0.147 CSCCC(=O)CCNC(=O)N 1458a_100000181464_100000751147 [0,2,0,0,0,0|1,0,1]=4 6428 B11R0.147 CSCCN(C)CCNC(=O)C 2230a_100000686725_100000189650 [0,2,0,0,0,0|2,0,0]=4 6429 B11R0.147 CSCCN(C)CCNC(=O)C 269982a_100000686725_100000189650 [0,2,0,0,0,0|2,0,0]=4 6430 B11R0.147 CSCCN(C)CCNC(=O)N 2230a_100000686725_200000034859 [0,2,0,0,0,0|2,0,0]=4 6431 B11R0.147 CSCCN(C)CCNC(=O)N 269982a_100000686725_200000034859 [0,2,0,0,0,0|2,0,0]=4 6432 B11R0.147 NC(=O)NCCC(=O)CCCF 1458a_100000181464_100011934791 [0,2,0,0,0,0|1,0,1]=4 6433 B11R0.147 NC(=O)NCCC(=O)CCCO 1458a_100000181464_100011215043 [0,2,0,0,0,0|1,0,1]=4 6434 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,2,0,0,0,0|1,0,1]=4 6435 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,2,0,0,0,0|1,0,1]=4 6436 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,2,0,0,0,0|1,0,1]=4 6437 B11R0.148 C#CCCCCCNCC(=O)N 2230a_100000711301_100012094781 [0,2,0,0,0,0|0,0,2]=4 6438 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,2,0,0,0,0|0,0,2]=4 6439 B11R0.148 C#CCCCNCCNC(=O)C 2230a_100000209853_100000731252 [0,2,0,0,0,0|0,0,2]=4 6440 B11R0.148 C#CCCCNCCNC(=O)N 34a_100020590234_100000695029 [0,2,0,0,0,0|0,0,2]=4 6441 B11R0.148 C#CCCCOCCNC(=O)C 34a_100000158858_100000695029 [0,2,0,0,0,0|0,0,2]=4 6442 B11R0.148 C#CCCCOCCNC(=O)C 7a_100000215630_100000189650 [0,2,0,0,0,0|0,0,2]=4 6443 B11R0.148 C#CCCCOCCNC(=O)N 34a_100000181757_100000695029 [0,2,0,0,0,0|0,0,2]=4 6444 B11R0.148 C#CCCCOCCNC(=O)N 7a_100000215630_200000034859 [0,2,0,0,0,0|0,0,2]=4 6445 B11R0.148 C#CCCCSCCNC(=O)C 62a_100000189650_100011215417 [0,2,0,0,0,0|0,0,2]=4 6446 B11R0.148 C#CCCCSCCNC(=O)C 62a_100011215417_100000189650 [0,2,0,0,0,0|0,0,2]=4 6447 B11R0.148 C#CCCCSCCNC(=O)N 62a_100011215417_200000034859 [0,2,0,0,0,0|0,0,2]=4 6448 B11R0.148 C#CCCCSCCNC(=O)N 62a_200000034859_100011215417 [0,2,0,0,0,0|0,0,2]=4 6449 B11R0.148 C#CCCNCCCNC(=O)C 34a_100000736810_100000688953 [0,2,0,0,0,0|0,0,2]=4 6450 B11R0.148 C#CCCOCCCNC(=O)C 34a_100000752032_100000688953 [0,2,0,0,0,0|0,0,2]=4 6451 B11R0.148 C#CCNCCCCCC(C)C 2230a_100011290863_100000038162 [0,2,0,0,0,0|1,0,1]=4 6452 B11R0.148 C#CCNCCCCCC(C)C 34a_100000212058_100000210682 [0,2,0,0,0,0|1,0,1]=4 6453 B11R0.148 C#CCNCCCCCC(C)C 34a_100011290863_100000184674 [0,2,0,0,0,0|1,0,1]=4 6454 B11R0.148 C#CCNCCCCNC(=O)C 2230a_200011368371_100000038162 [0,2,0,0,0,0|0,0,2]=4 6455 B11R0.148 C#CCNCCCCNC(=O)C 34a_200011368371_100000184674 [0,2,0,0,0,0|0,0,2]=4 6456 B11R0.148 C/C=C/CCOCCCC(C)C 34a_100016278192_100011214892 [0,2,0,0,0,0|2,0,0]=4 6457 B11R0.148 C/C=C/CCOCCCC(C)O 34a_100016278192_200000718107 [0,2,0,0,0,0|2,0,0]=4 6458 B11R0.148 C/C=C/CNCCCNC(=O)C 34a_100000736810_100102629194 [0,2,0,0,0,0|0,0,2]=4 6459 B11R0.148 C/C=C/COCCCCC(C)C 34a_100011214890_100102629194 [0,2,0,0,0,0|2,0,0]=4 6460 B11R0.148 C/C=C/COCCCCC(C)C 34a_100016270725_100011216152 [0,2,0,0,0,0|2,0,0]=4 6461 B11R0.148 C/C=C/COCCCCC(C)C 7a_100011214890_100102629194 [0,2,0,0,0,0|2,0,0]=4 6462 B11R0.148 C/C=C/COCCCNC(=O)C 34a_100000752032_100102629194 [0,2,0,0,0,0|0,0,2]=4 6463 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100011216152_100102629194 [0,2,0,0,0,0|2,0,0]=4 6464 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100102629194_100011216152 [0,2,0,0,0,0|2,0,0]=4 6465 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,2,0,0,0,0|2,0,0]=4 6466 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,2,0,0,0,0|2,0,0]=4 6467 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,2,0,0,0,0|2,0,0]=4 6468 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,2,0,0,0,0|2,0,0]=4 6469 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,2,0,0,0,0|2,0,0]=4 6470 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000139335_100000730704 [0,2,0,0,0,0|1,0,1]=4 6471 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000730704_100000139335 [0,2,0,0,0,0|1,0,1]=4 6472 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,2,0,0,0,0|2,0,0]=4 6473 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,2,0,0,0,0|2,0,0]=4 6474 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,2,0,0,0,0|1,0,0]=3 6475 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,2,0,0,0,0|2,0,0]=4 6476 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,2,0,0,0,0|2,0,0]=4 6477 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,2,0,0,0,0|2,0,0]=4 6478 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,2,0,0,0,0|2,0,0]=4 6479 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,2,0,0,0,0|2,0,0]=4 6480 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,2,0,0,0,0|2,0,0]=4 6481 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,2,0,0,0,0|2,0,0]=4 6482 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,2,0,0,0,0|2,0,0]=4 6483 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,2,0,0,0,0|2,0,0]=4 6484 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,2,0,0,0,0|2,0,0]=4 6485 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000139337_100000211660 [0,2,0,0,0,0|1,0,1]=4 6486 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000748629_100000139337 [0,2,0,0,0,0|1,0,1]=4 6487 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,2,0,0,0,0|2,0,0]=4 6488 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,2,0,0,0,0|2,0,0]=4 6489 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,2,0,0,0,0|1,0,0]=3 6490 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [0,2,0,0,0,0|2,0,0]=4 6491 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [0,2,0,0,0,0|2,0,0]=4 6492 B11R0.148 C=C(F)CNCCCCCOC 2230a_100000747528_100009893438 [0,2,0,0,0,0|2,0,0]=4 6493 B11R0.148 C=C(F)CNCCCCCOC 34a_100000747528_100009893438 [0,2,0,0,0,0|2,0,0]=4 6494 B11R0.148 C=C(F)CNCCCOCCC 2230a_100011217757_100009893438 [0,2,0,0,0,0|2,0,0]=4 6495 B11R0.148 C=C(F)CNCCCOCCC 34a_100011217757_100009893438 [0,2,0,0,0,0|2,0,0]=4 6496 B11R0.148 C=C(F)CNCCSCCCC 2230a_100025743550_100009893438 [0,2,0,0,0,0|2,0,0]=4 6497 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,2,0,0,0,0|2,0,0]=4 6498 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,2,0,0,0,0|2,0,0]=4 6499 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,2,0,0,0,0|2,0,0]=4 6500 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,2,0,0,0,0|2,0,0]=4 6501 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,2,0,0,0,0|2,0,0]=4 6502 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,2,0,0,0,0|1,0,1]=4 6503 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,2,0,0,0,0|1,0,1]=4 6504 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,2,0,0,0,0|1,0,1]=4 6505 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [0,2,0,0,0,0|2,0,0]=4 6506 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [0,2,0,0,0,0|2,0,0]=4 6507 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [0,2,0,0,0,0|2,0,0]=4 6508 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [0,2,0,0,0,0|2,0,0]=4 6509 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [0,2,0,0,0,0|2,0,0]=4 6510 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [0,2,0,0,0,0|2,0,0]=4 6511 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [0,2,0,0,0,0|2,0,0]=4 6512 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [0,2,0,0,0,0|2,0,0]=4 6513 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [0,2,0,0,0,0|2,0,0]=4 6514 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [0,2,0,0,0,0|0,0,2]=4 6515 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,2,0,0,0,0|0,0,2]=4 6516 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [0,2,0,0,0,0|2,0,0]=4 6517 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [0,2,0,0,0,0|2,0,0]=4 6518 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [0,2,0,0,0,0|2,0,0]=4 6519 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [0,2,0,0,0,0|2,0,0]=4 6520 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [0,2,0,0,0,0|2,0,0]=4 6521 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [0,2,0,0,0,0|2,0,0]=4 6522 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [0,2,0,0,0,0|2,0,0]=4 6523 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [0,2,0,0,0,0|2,0,0]=4 6524 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [0,2,0,0,0,0|2,0,0]=4 6525 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [0,2,0,0,0,0|2,0,0]=4 6526 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [0,2,0,0,0,0|2,0,0]=4 6527 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [0,2,0,0,0,0|2,0,0]=4 6528 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [0,2,0,0,0,0|2,0,0]=4 6529 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [0,2,0,0,0,0|2,0,0]=4 6530 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [0,2,0,0,0,0|2,0,0]=4 6531 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [0,2,0,0,0,0|2,0,0]=4 6532 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [0,2,0,0,0,0|2,0,0]=4 6533 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [0,2,0,0,0,0|2,0,0]=4 6534 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [0,2,0,0,0,0|2,0,0]=4 6535 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [0,2,0,0,0,0|2,0,0]=4 6536 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [0,2,0,0,0,0|2,0,0]=4 6537 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [0,2,0,0,0,0|2,0,0]=4 6538 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [0,2,0,0,0,0|2,0,0]=4 6539 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [0,2,0,0,0,0|2,0,0]=4 6540 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [0,2,0,0,0,0|2,0,0]=4 6541 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [0,2,0,0,0,0|2,0,0]=4 6542 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [0,2,0,0,0,0|2,0,0]=4 6543 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [0,2,0,0,0,0|2,0,0]=4 6544 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [0,2,0,0,0,0|2,0,0]=4 6545 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [0,2,0,0,0,0|2,0,0]=4 6546 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [0,2,0,0,0,0|2,0,0]=4 6547 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [0,2,0,0,0,0|2,0,0]=4 6548 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [0,2,0,0,0,0|2,0,0]=4 6549 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [0,2,0,0,0,0|2,0,0]=4 6550 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [0,2,0,0,0,0|2,0,0]=4 6551 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [0,2,0,0,0,0|2,0,0]=4 6552 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [0,2,0,0,0,0|2,0,0]=4 6553 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [0,2,0,0,0,0|2,0,0]=4 6554 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [0,2,0,0,0,0|2,0,0]=4 6555 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [0,2,0,0,0,0|2,0,0]=4 6556 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [0,2,0,0,0,0|2,0,0]=4 6557 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [0,2,0,0,0,0|2,0,0]=4 6558 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [0,2,0,0,0,0|2,0,0]=4 6559 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [0,2,0,0,0,0|2,0,0]=4 6560 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [0,2,0,0,0,0|2,0,0]=4 6561 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000209853_100011713584 [0,2,0,0,0,0|0,0,2]=4 6562 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000700776_100000189650 [0,2,0,0,0,0|0,0,2]=4 6563 B11R0.148 C=CCCCNCCNC(=O)N 2230a_100000700776_200000034859 [0,2,0,0,0,0|0,0,2]=4 6564 B11R0.148 C=CCCCNCCNC(=O)N 34a_100020590234_100000757094 [0,2,0,0,0,0|0,0,2]=4 6565 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [0,2,0,0,0,0|2,0,0]=4 6566 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [0,2,0,0,0,0|2,0,0]=4 6567 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [0,2,0,0,0,0|2,0,0]=4 6568 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [0,2,0,0,0,0|2,0,0]=4 6569 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [0,2,0,0,0,0|2,0,0]=4 6570 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [0,2,0,0,0,0|2,0,0]=4 6571 B11R0.148 C=CCCCOCCNC(=O)C 34a_100000158858_100000757094 [0,2,0,0,0,0|0,0,2]=4 6572 B11R0.148 C=CCCCOCCNC(=O)C 7a_100000758997_100000189650 [0,2,0,0,0,0|0,0,2]=4 6573 B11R0.148 C=CCCCOCCNC(=O)N 34a_100000181757_100000757094 [0,2,0,0,0,0|0,0,2]=4 6574 B11R0.148 C=CCCCOCCNC(=O)N 7a_100000758997_200000034859 [0,2,0,0,0,0|0,0,2]=4 6575 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [0,2,0,0,0,0|2,0,0]=4 6576 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [0,2,0,0,0,0|2,0,0]=4 6577 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [0,2,0,0,0,0|2,0,0]=4 6578 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [0,2,0,0,0,0|2,0,0]=4 6579 B11R0.148 C=CCCCSCCNC(=O)C 62a_100000189650_100000757094 [0,2,0,0,0,0|0,0,2]=4 6580 B11R0.148 C=CCCCSCCNC(=O)C 62a_100011713584_100000189650 [0,2,0,0,0,0|0,0,2]=4 6581 B11R0.148 C=CCCCSCCNC(=O)N 62a_100011713584_200000034859 [0,2,0,0,0,0|0,0,2]=4 6582 B11R0.148 C=CCCCSCCNC(=O)N 62a_200000034859_100000757094 [0,2,0,0,0,0|0,0,2]=4 6583 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [0,2,0,0,0,0|2,0,0]=4 6584 B11R0.148 C=CCCNCCCNC(=O)C 34a_100000736810_100000754431 [0,2,0,0,0,0|0,0,2]=4 6585 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [0,2,0,0,0,0|2,0,0]=4 6586 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [0,2,0,0,0,0|2,0,0]=4 6587 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [0,2,0,0,0,0|2,0,0]=4 6588 B11R0.148 C=CCCOCCCNC(=O)C 34a_100000752032_100000754431 [0,2,0,0,0,0|0,0,2]=4 6589 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [0,2,0,0,0,0|2,0,0]=4 6590 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [0,2,0,0,0,0|2,0,0]=4 6591 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [0,2,0,0,0,0|1,0,0]=3 6592 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [0,2,0,0,0,0|1,0,0]=3 6593 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [0,2,0,0,0,0|1,0,0]=3 6594 B11R0.148 C=CCNCCCCNC(=O)C 2230a_200011368371_100000210623 [0,2,0,0,0,0|0,0,2]=4 6595 B11R0.148 C=CCNCCCCNC(=O)C 34a_200011368371_100015514636 [0,2,0,0,0,0|0,0,2]=4 6596 B11R0.148 C=CCNCCCOCC(C)C 2230a_100000205972_100000210623 [0,2,0,0,0,0|2,0,0]=4 6597 B11R0.148 C=CCNCCCOCC(C)C 34a_100000205972_100015514636 [0,2,0,0,0,0|2,0,0]=4 6598 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [0,2,0,0,0,0|2,0,0]=4 6599 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [0,2,0,0,0,0|2,0,0]=4 6600 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [0,2,0,0,0,0|2,0,0]=4 6601 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [0,2,0,0,0,0|2,0,0]=4 6602 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [0,2,0,0,0,0|2,0,0]=4 6603 B11R0.148 C=COCCCCOCC(C)C 34a_100000031558_100000210624 [0,2,0,0,0,0|2,0,0]=4 6604 B11R0.148 C=COCCCCOCC(C)C 7a_100000031558_100000210760 [0,2,0,0,0,0|2,0,0]=4 6605 B11R0.148 C=COCCCCOCC(C)O 34a_100000031558_100011218427 [0,2,0,0,0,0|2,0,0]=4 6606 B11R0.148 C=COCCCCOCC(C)O 7a_100000031558_100011218427 [0,2,0,0,0,0|2,0,0]=4 6607 B11R0.148 C=COCCCCOC[C@@H](C)O 34a_100000031558_100009817552 [0,2,0,0,0,0|2,0,0]=4 6608 B11R0.148 C=COCCCCOC[C@@H](C)O 7a_100000031558_100009817552 [0,2,0,0,0,0|2,0,0]=4 6609 B11R0.148 C=COCCCNCCC(C)C 2230a_100000210767_100000210312 [0,2,0,0,0,0|2,0,0]=4 6610 B11R0.148 C=COCCCNCCC(C)C 269862a_100000210767_100000185833 [0,2,0,0,0,0|2,0,0]=4 6611 B11R0.148 C=COCCCNCCC(C)C 34a_100000210767_100000210312 [0,2,0,0,0,0|2,0,0]=4 6612 B11R0.148 C=COCCCNCCC(C)O 2230a_100000210767_100012276601 [0,2,0,0,0,0|2,0,0]=4 6613 B11R0.148 C=COCCCNCCC(C)O 34a_100000210767_100012276601 [0,2,0,0,0,0|2,0,0]=4 6614 B11R0.148 C=COCCNCCCC(C)C 2230a_200000737386_100000039644 [0,2,0,0,0,0|2,0,0]=4 6615 B11R0.148 C=COCCNCCCC(C)C 34a_200000737386_100000039644 [0,2,0,0,0,0|2,0,0]=4 6616 B11R0.148 C=COCCOCCCC(C)C 34a_100000033082_100011214892 [0,2,0,0,0,0|2,0,0]=4 6617 B11R0.148 C=COCCOCCCC(C)C 34a_100000210774_100000039644 [0,2,0,0,0,0|2,0,0]=4 6618 B11R0.148 C=COCCOCCCC(C)C 7a_100000210774_100000039644 [0,2,0,0,0,0|2,0,0]=4 6619 B11R0.148 C=COCCOCCCC(C)O 34a_100000033082_200000718107 [0,2,0,0,0,0|2,0,0]=4 6620 B11R0.148 C=COCCSCCCC(C)C 62a_100000039644_100011214892 [0,2,0,0,0,0|2,0,0]=4 6621 B11R0.148 C=COCCSCCCC(C)C 62a_100011214892_100000039644 [0,2,0,0,0,0|2,0,0]=4 6622 B11R0.148 C=COCCSCCCC(C)O 62a_100000039644_200000718107 [0,2,0,0,0,0|2,0,0]=4 6623 B11R0.148 C=COCCSCCCC(C)O 62a_200000718107_100000039644 [0,2,0,0,0,0|2,0,0]=4 6624 B11R0.148 CC#CCNCCCNC(=O)C 34a_100000736810_100000748600 [0,2,0,0,0,0|0,0,2]=4 6625 B11R0.148 CC#CCOCCCNC(=O)C 34a_100000752032_100000748600 [0,2,0,0,0,0|0,0,2]=4 6626 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,2,0,0,0,0|1,0,0]=3 6627 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,2,0,0,0,0|2,0,0]=4 6628 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,2,0,0,0,0|2,0,0]=4 6629 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,2,0,0,0,0|2,0,0]=4 6630 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,2,0,0,0,0|2,0,0]=4 6631 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,2,0,0,0,0|2,0,0]=4 6632 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,2,0,0,0,0|2,0,0]=4 6633 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,2,0,0,0,0|2,0,0]=4 6634 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,2,0,0,0,0|2,0,0]=4 6635 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,2,0,0,0,0|2,0,0]=4 6636 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,2,0,0,0,0|2,0,0]=4 6637 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,2,0,0,0,0|1,0,1]=4 6638 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,2,0,0,0,0|2,0,0]=4 6639 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,2,0,0,0,0|2,0,0]=4 6640 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,2,0,0,0,0|2,0,0]=4 6641 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,2,0,0,0,0|2,0,0]=4 6642 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,2,0,0,0,0|2,0,0]=4 6643 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,2,0,0,0,0|2,0,0]=4 6644 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,2,0,0,0,0|2,0,0]=4 6645 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,2,0,0,0,0|2,0,0]=4 6646 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,2,0,0,0,0|2,0,0]=4 6647 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,2,0,0,0,0|2,0,0]=4 6648 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,2,0,0,0,0|2,0,0]=4 6649 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,2,0,0,0,0|1,0,1]=4 6650 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,2,0,0,0,0|1,0,1]=4 6651 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,2,0,0,0,0|2,0,0]=4 6652 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,2,0,0,0,0|2,0,0]=4 6653 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,2,0,0,0,0|2,0,0]=4 6654 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,2,0,0,0,0|2,0,0]=4 6655 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,2,0,0,0,0|1,0,1]=4 6656 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,2,0,0,0,0|2,0,0]=4 6657 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,2,0,0,0,0|2,0,0]=4 6658 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,2,0,0,0,0|2,0,0]=4 6659 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,2,0,0,0,0|2,0,0]=4 6660 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,2,0,0,0,0|2,0,0]=4 6661 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,2,0,0,0,0|2,0,0]=4 6662 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,2,0,0,0,0|2,0,0]=4 6663 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,2,0,0,0,0|1,0,1]=4 6664 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,2,0,0,0,0|1,0,1]=4 6665 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,2,0,0,0,0|2,0,0]=4 6666 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,2,0,0,0,0|2,0,0]=4 6667 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,2,0,0,0,0|2,0,0]=4 6668 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,2,0,0,0,0|2,0,0]=4 6669 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,2,0,0,0,0|2,0,0]=4 6670 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,2,0,0,0,0|2,0,0]=4 6671 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,2,0,0,0,0|0,0,0]=2 6672 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,2,0,0,0,0|0,0,0]=2 6673 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,2,0,0,0,0|0,0,0]=2 6674 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,2,0,0,0,0|1,0,0]=3 6675 B11R0.148 CC(=O)NCCCCNCC#N 2230a_200011368371_100011215382 [0,2,0,0,0,0|1,0,1]=4 6676 B11R0.148 CC(=O)NCCCCNCC=O 2230a_200011368371_200015260668 [0,2,0,0,0,0|1,0,1]=4 6677 B11R0.148 CC(=O)NCCCCNCC=O 34a_200011368371_200009817547 [0,2,0,0,0,0|1,0,1]=4 6678 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,2,0,0,0,0|1,0,0]=3 6679 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,2,0,0,0,0|1,0,0]=3 6680 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,2,0,0,0,0|1,0,0]=3 6681 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,2,0,0,0,0|1,0,0]=3 6682 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,2,0,0,0,0|1,0,0]=3 6683 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,2,0,0,0,0|1,0,0]=3 6684 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,2,0,0,0,0|1,0,0]=3 6685 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,2,0,0,0,0|1,0,0]=3 6686 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,2,0,0,0,0|1,0,0]=3 6687 B11R0.148 CC(=O)NCCNCCCC#N 2230a_100000209853_100000687738 [0,2,0,0,0,0|1,0,1]=4 6688 B11R0.148 CC(=O)NCCNCCCC=O 2230a_100000209853_200011292268 [0,2,0,0,0,0|1,0,1]=4 6689 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,2,0,0,0,0|1,0,0]=3 6690 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,2,0,0,0,0|1,0,0]=3 6691 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,2,0,0,0,0|1,0,0]=3 6692 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,2,0,0,0,0|1,0,0]=3 6693 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,2,0,0,0,0|1,0,0]=3 6694 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,2,0,0,0,0|1,0,0]=3 6695 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,2,0,0,0,0|1,0,0]=3 6696 B11R0.148 CC(=O)NCCSCCCC#N 62a_100000189650_100000687738 [0,2,0,0,0,0|1,0,1]=4 6697 B11R0.148 CC(=O)NCCSCCCC#N 62a_100000687738_100000189650 [0,2,0,0,0,0|1,0,1]=4 6698 B11R0.148 CC(=O)NCCSCCCC=O 62a_100000189650_200011292268 [0,2,0,0,0,0|1,0,1]=4 6699 B11R0.148 CC(=O)NCCSCCCC=O 62a_200011292268_100000189650 [0,2,0,0,0,0|1,0,1]=4 6700 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,2,0,0,0,0|1,0,0]=3 6701 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,2,0,0,0,0|1,0,0]=3 6702 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,2,0,0,0,0|1,0,0]=3 6703 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,2,0,0,0,0|1,0,0]=3 6704 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,2,0,0,0,0|2,0,0]=4 6705 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,2,0,0,0,0|2,0,0]=4 6706 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,2,0,0,0,0|2,0,0]=4 6707 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,2,0,0,0,0|2,0,0]=4 6708 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,2,0,0,0,0|2,0,0]=4 6709 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,2,0,0,0,0|2,0,0]=4 6710 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,2,0,0,0,0|2,0,0]=4 6711 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,2,0,0,0,0|2,0,0]=4 6712 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,2,0,0,0,0|2,0,0]=4 6713 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,2,0,0,0,0|2,0,0]=4 6714 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,2,0,0,0,0|2,0,0]=4 6715 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,2,0,0,0,0|2,0,0]=4 6716 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,2,0,0,0,0|2,0,0]=4 6717 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,2,0,0,0,0|2,0,0]=4 6718 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,2,0,0,0,0|2,0,0]=4 6719 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,2,0,0,0,0|2,0,0]=4 6720 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,2,0,0,0,0|2,0,0]=4 6721 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,2,0,0,0,0|2,0,0]=4 6722 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,2,0,0,0,0|2,0,0]=4 6723 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,2,0,0,0,0|2,0,0]=4 6724 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,2,0,0,0,0|2,0,0]=4 6725 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,2,0,0,0,0|2,0,0]=4 6726 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,2,0,0,0,0|2,0,0]=4 6727 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,2,0,0,0,0|2,0,0]=4 6728 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,2,0,0,0,0|2,0,0]=4 6729 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,2,0,0,0,0|2,0,0]=4 6730 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,2,0,0,0,0|2,0,0]=4 6731 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,2,0,0,0,0|2,0,0]=4 6732 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,2,0,0,0,0|2,0,0]=4 6733 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,2,0,0,0,0|2,0,0]=4 6734 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,2,0,0,0,0|2,0,0]=4 6735 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,2,0,0,0,0|2,0,0]=4 6736 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,2,0,0,0,0|2,0,0]=4 6737 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,2,0,0,0,0|2,0,0]=4 6738 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,2,0,0,0,0|2,0,0]=4 6739 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,2,0,0,0,0|2,0,0]=4 6740 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,2,0,0,0,0|2,0,0]=4 6741 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,2,0,0,0,0|2,0,0]=4 6742 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,2,0,0,0,0|2,0,0]=4 6743 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,2,0,0,0,0|2,0,0]=4 6744 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,2,0,0,0,0|2,0,0]=4 6745 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,2,0,0,0,0|2,0,0]=4 6746 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,2,0,0,0,0|2,0,0]=4 6747 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,2,0,0,0,0|2,0,0]=4 6748 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,2,0,0,0,0|2,0,0]=4 6749 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,2,0,0,0,0|2,0,0]=4 6750 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,2,0,0,0,0|2,0,0]=4 6751 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,2,0,0,0,0|2,0,0]=4 6752 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,2,0,0,0,0|2,0,0]=4 6753 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,2,0,0,0,0|2,0,0]=4 6754 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,2,0,0,0,0|2,0,0]=4 6755 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,2,0,0,0,0|2,0,0]=4 6756 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,2,0,0,0,0|2,0,0]=4 6757 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,2,0,0,0,0|2,0,0]=4 6758 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,2,0,0,0,0|2,0,0]=4 6759 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,2,0,0,0,0|2,0,0]=4 6760 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,2,0,0,0,0|2,0,0]=4 6761 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,2,0,0,0,0|2,0,0]=4 6762 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,2,0,0,0,0|2,0,0]=4 6763 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,2,0,0,0,0|2,0,0]=4 6764 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,2,0,0,0,0|2,0,0]=4 6765 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,2,0,0,0,0|2,0,0]=4 6766 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,2,0,0,0,0|2,0,0]=4 6767 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [0,2,0,0,0,0|1,0,1]=4 6768 B11R0.148 CC(C)CCCCCNCC#N 2230a_100011290863_100011215382 [0,2,0,0,0,0|1,0,1]=4 6769 B11R0.148 CC(C)CCCCCNCC=O 2230a_100011290863_200015260668 [0,2,0,0,0,0|0,0,0]=2 6770 B11R0.148 CC(C)CCCCCNCC=O 34a_100011290863_200009817547 [0,2,0,0,0,0|0,0,0]=2 6771 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [0,2,0,0,0,0|1,0,1]=4 6772 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [0,2,0,0,0,0|1,0,1]=4 6773 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [0,2,0,0,0,0|1,0,1]=4 6774 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,2,0,0,0,0|0,0,2]=4 6775 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,2,0,0,0,0|0,0,2]=4 6776 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,2,0,0,0,0|0,0,2]=4 6777 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,2,0,0,0,0|0,0,2]=4 6778 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [0,2,0,0,0,0|1,0,0]=3 6779 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [0,2,0,0,0,0|1,0,0]=3 6780 B11R0.148 CC(C)CCCCCSCC=O 62a_100000210682_200015260668 [0,2,0,0,0,0|1,0,0]=3 6781 B11R0.148 CC(C)CCCCCSCC=O 62a_200015260668_100000210682 [0,2,0,0,0,0|1,0,0]=3 6782 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [0,2,0,0,0,0|1,0,0]=3 6783 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [0,2,0,0,0,0|1,0,0]=3 6784 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [0,2,0,0,0,0|1,0,0]=3 6785 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [0,2,0,0,0,0|1,0,0]=3 6786 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [0,2,0,0,0,0|1,0,0]=3 6787 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [0,2,0,0,0,0|1,0,0]=3 6788 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [0,2,0,0,0,0|1,0,0]=3 6789 B11R0.148 CC(C)CNCCCCCC=O 2230a_100000210953_100000139337 [0,2,0,0,0,0|1,0,0]=3 6790 B11R0.148 CC(C)COCCCNCC=O 2230a_100000205972_200015260668 [0,2,0,0,0,0|1,0,0]=3 6791 B11R0.148 CC(C)COCCCNCC=O 34a_100000205972_200009817547 [0,2,0,0,0,0|1,0,0]=3 6792 B11R0.148 CC(C)CSCCCCCC=O 62a_100000139337_100000210760 [0,2,0,0,0,0|1,0,0]=3 6793 B11R0.148 CC(C)CSCCCCCC=O 62a_100000210624_100000139337 [0,2,0,0,0,0|1,0,0]=3 6794 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,2,0,0,0,0|1,0,1]=4 6795 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,2,0,0,0,0|1,0,1]=4 6796 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,2,0,0,0,0|1,0,1]=4 6797 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,2,0,0,0,0|1,0,1]=4 6798 B11R0.148 CC(C)NCCCCOCC=O 34a_100011521146_200009817547 [0,2,0,0,0,0|2,0,0]=4 6799 B11R0.148 CC(C)OCCNCCCC=O 2230a_100000701111_200011292268 [0,2,0,0,0,0|2,0,0]=4 6800 B11R0.148 CC(C)OCCOCCCC=O 7a_100000211219_200011292268 [0,2,0,0,0,0|2,0,0]=4 6801 B11R0.148 CC(C)OCCSCCCC=O 62a_100000211751_200011292268 [0,2,0,0,0,0|2,0,0]=4 6802 B11R0.148 CC(C)OCCSCCCC=O 62a_200011292268_100000211751 [0,2,0,0,0,0|2,0,0]=4 6803 B11R0.148 CC(C)OCSCCCCC=O 62a_100000139335_100000709892 [0,2,0,0,0,0|2,0,0]=4 6804 B11R0.148 CC(C)OCSCCCCC=O 62a_100000709892_100000139335 [0,2,0,0,0,0|2,0,0]=4 6805 B11R0.148 CC(C)SCCNCCCC=O 2230a_100000731138_200011292268 [0,2,0,0,0,0|2,0,0]=4 6806 B11R0.148 CC(C)SCCOCCCC=O 7a_200011212901_200011292268 [0,2,0,0,0,0|2,0,0]=4 6807 B11R0.148 CC(C)SCCSCCCC=O 62a_100000730970_200011292268 [0,2,0,0,0,0|2,0,0]=4 6808 B11R0.148 CC(C)SCCSCCCC=O 62a_200011292268_100000730970 [0,2,0,0,0,0|2,0,0]=4 6809 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [0,2,0,0,0,0|1,0,0]=3 6810 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [0,2,0,0,0,0|1,0,0]=3 6811 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [0,2,0,0,0,0|1,0,0]=3 6812 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [0,2,0,0,0,0|1,0,0]=3 6813 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [0,2,0,0,0,0|1,0,0]=3 6814 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [0,2,0,0,0,0|1,0,0]=3 6815 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [0,2,0,0,0,0|1,0,0]=3 6816 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [0,2,0,0,0,0|1,0,0]=3 6817 B11R0.148 CC/C=C\CNCCNC(=O)C 2230a_100000209853_100103147603 [0,2,0,0,0,0|0,0,2]=4 6818 B11R0.148 CC/C=C\CNCCNC(=O)N 34a_100020590234_100103147603 [0,2,0,0,0,0|0,0,2]=4 6819 B11R0.148 CC/C=C\COCCNC(=O)C 34a_100000158858_100103147603 [0,2,0,0,0,0|0,0,2]=4 6820 B11R0.148 CC/C=C\COCCNC(=O)N 34a_100000181757_100103147603 [0,2,0,0,0,0|0,0,2]=4 6821 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100000189650_100103147603 [0,2,0,0,0,0|0,0,2]=4 6822 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100103147603_100000189650 [0,2,0,0,0,0|0,0,2]=4 6823 B11R0.148 CC/C=C\CSCCNC(=O)N 62a_100103147603_200000034859 [0,2,0,0,0,0|0,0,2]=4 6824 B11R0.148 CC/C=C\CSCCNC(=O)N 62a_200000034859_100103147603 [0,2,0,0,0,0|0,0,2]=4 6825 B11R0.148 CC=CCCCOCCC(C)C 34a_100020645299_100000210312 [0,2,0,0,0,0|2,0,0]=4 6826 B11R0.148 CC=CCCCOCCC(C)O 34a_100020645299_100012276601 [0,2,0,0,0,0|2,0,0]=4 6827 B11R0.148 CC=CCNCCCNC(=O)C 34a_100000736810_100000070051 [0,2,0,0,0,0|0,0,2]=4 6828 B11R0.148 CC=CCOCCCCC(C)C 34a_100011214890_100000070051 [0,2,0,0,0,0|2,0,0]=4 6829 B11R0.148 CC=CCOCCCCC(C)C 7a_100011214890_100000070051 [0,2,0,0,0,0|2,0,0]=4 6830 B11R0.148 CC=CCOCCCNC(=O)C 34a_100000752032_100000070051 [0,2,0,0,0,0|0,0,2]=4 6831 B11R0.148 CC=CCSCCCCC(C)C 62a_100000070051_100011216152 [0,2,0,0,0,0|2,0,0]=4 6832 B11R0.148 CC=CCSCCCCC(C)C 62a_100011216152_100000070051 [0,2,0,0,0,0|2,0,0]=4 6833 B11R0.148 CCC#CCNCCNC(=O)C 2230a_100000209853_100009813939 [0,2,0,0,0,0|0,0,2]=4 6834 B11R0.148 CCC#CCNCCNC(=O)N 34a_100020590234_100009813939 [0,2,0,0,0,0|0,0,2]=4 6835 B11R0.148 CCC#CCOCCNC(=O)C 34a_100000158858_100009813939 [0,2,0,0,0,0|0,0,2]=4 6836 B11R0.148 CCC#CCOCCNC(=O)N 34a_100000181757_100009813939 [0,2,0,0,0,0|0,0,2]=4 6837 B11R0.148 CCC#CCSCCNC(=O)C 62a_100000189650_100009813939 [0,2,0,0,0,0|0,0,2]=4 6838 B11R0.148 CCC#CCSCCNC(=O)C 62a_100009813939_100000189650 [0,2,0,0,0,0|0,0,2]=4 6839 B11R0.148 CCC#CCSCCNC(=O)N 62a_100009813939_200000034859 [0,2,0,0,0,0|0,0,2]=4 6840 B11R0.148 CCC#CCSCCNC(=O)N 62a_200000034859_100009813939 [0,2,0,0,0,0|0,0,2]=4 6841 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,2,0,0,0,0|1,0,1]=4 6842 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,2,0,0,0,0|1,0,1]=4 6843 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,2,0,0,0,0|1,0,1]=4 6844 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,2,0,0,0,0|1,0,1]=4 6845 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,2,0,0,0,0|1,0,1]=4 6846 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,2,0,0,0,0|0,0,1]=3 6847 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,2,0,0,0,0|1,0,0]=3 6848 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,2,0,0,0,0|1,0,0]=3 6849 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,2,0,0,0,0|1,0,0]=3 6850 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,2,0,0,0,0|1,0,0]=3 6851 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,2,0,0,0,0|1,0,0]=3 6852 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,2,0,0,0,0|0,0,0]=2 6853 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,2,0,0,0,0|0,0,0]=2 6854 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,2,0,0,0,0|0,0,0]=2 6855 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,2,0,0,0,0|0,0,0]=2 6856 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,2,0,0,0,0|1,0,1]=4 6857 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,2,0,0,0,0|1,0,1]=4 6858 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,2,0,0,0,0|1,0,1]=4 6859 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,2,0,0,0,0|1,0,1]=4 6860 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,2,0,0,0,0|0,0,0]=2 6861 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,2,0,0,0,0|0,0,0]=2 6862 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,2,0,0,0,0|0,0,0]=2 6863 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,2,0,0,0,0|1,0,1]=4 6864 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,2,0,0,0,0|1,0,1]=4 6865 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,2,0,0,0,0|1,0,1]=4 6866 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,2,0,0,0,0|1,0,1]=4 6867 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,2,0,0,0,0|0,0,2]=4 6868 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,2,0,0,0,0|0,0,2]=4 6869 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,2,0,0,0,0|0,0,2]=4 6870 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [0,2,0,0,0,0|1,0,1]=4 6871 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [0,2,0,0,0,0|1,0,1]=4 6872 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,2,0,0,0,0|0,0,2]=4 6873 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,2,0,0,0,0|1,0,0]=3 6874 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,2,0,0,0,0|1,0,0]=3 6875 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,2,0,0,0,0|1,0,0]=3 6876 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,2,0,0,0,0|1,0,0]=3 6877 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,2,0,0,0,0|1,0,1]=4 6878 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,2,0,0,0,0|1,0,0]=3 6879 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,2,0,0,0,0|1,0,0]=3 6880 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,2,0,0,0,0|1,0,0]=3 6881 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,2,0,0,0,0|1,0,0]=3 6882 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,2,0,0,0,0|1,0,1]=4 6883 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,2,0,0,0,0|2,0,0]=4 6884 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,2,0,0,0,0|2,0,0]=4 6885 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,2,0,0,0,0|1,0,0]=3 6886 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,2,0,0,0,0|2,0,0]=4 6887 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,2,0,0,0,0|2,0,0]=4 6888 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,2,0,0,0,0|2,0,0]=4 6889 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,2,0,0,0,0|2,0,0]=4 6890 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,2,0,0,0,0|1,0,0]=3 6891 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,2,0,0,0,0|1,0,0]=3 6892 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,2,0,0,0,0|1,0,0]=3 6893 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,2,0,0,0,0|1,0,0]=3 6894 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,2,0,0,0,0|1,0,0]=3 6895 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,2,0,0,0,0|1,0,0]=3 6896 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,2,0,0,0,0|1,0,0]=3 6897 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,2,0,0,0,0|1,0,0]=3 6898 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,2,0,0,0,0|2,0,0]=4 6899 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,2,0,0,0,0|2,0,0]=4 6900 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,2,0,0,0,0|1,0,0]=3 6901 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,2,0,0,0,0|1,0,0]=3 6902 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,2,0,0,0,0|1,0,0]=3 6903 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,2,0,0,0,0|1,0,0]=3 6904 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,2,0,0,0,0|1,0,0]=3 6905 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,2,0,0,0,0|1,0,0]=3 6906 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,2,0,0,0,0|2,0,0]=4 6907 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,2,0,0,0,0|2,0,0]=4 6908 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,2,0,0,0,0|1,0,0]=3 6909 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,2,0,0,0,0|2,0,0]=4 6910 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,2,0,0,0,0|0,0,0]=2 6911 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,2,0,0,0,0|0,0,0]=2 6912 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,2,0,0,0,0|0,0,0]=2 6913 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,2,0,0,0,0|0,0,0]=2 6914 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,2,0,0,0,0|2,0,0]=4 6915 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,2,0,0,0,0|2,0,0]=4 6916 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,2,0,0,0,0|2,0,0]=4 6917 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,2,0,0,0,0|2,0,0]=4 6918 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,2,0,0,0,0|1,0,0]=3 6919 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,2,0,0,0,0|1,0,0]=3 6920 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,2,0,0,0,0|1,0,0]=3 6921 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,2,0,0,0,0|1,0,0]=3 6922 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,2,0,0,0,0|1,0,0]=3 6923 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,2,0,0,0,0|1,0,0]=3 6924 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,2,0,0,0,0|2,0,0]=4 6925 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,2,0,0,0,0|0,0,0]=2 6926 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,2,0,0,0,0|0,0,0]=2 6927 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,2,0,0,0,0|0,0,0]=2 6928 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,2,0,0,0,0|0,0,0]=2 6929 B11R0.148 CCCCCOCCNC(C)C 34a_100000224655_100000718602 [0,2,0,0,0,0|1,0,1]=4 6930 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,2,0,0,0,0|1,0,0]=3 6931 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,2,0,0,0,0|1,0,0]=3 6932 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,2,0,0,0,0|1,0,0]=3 6933 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,2,0,0,0,0|1,0,0]=3 6934 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,2,0,0,0,0|1,0,0]=3 6935 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,2,0,0,0,0|2,0,0]=4 6936 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,2,0,0,0,0|2,0,0]=4 6937 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,2,0,0,0,0|2,0,0]=4 6938 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,2,0,0,0,0|2,0,0]=4 6939 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,2,0,0,0,0|1,0,0]=3 6940 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,2,0,0,0,0|1,0,0]=3 6941 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,2,0,0,0,0|1,0,0]=3 6942 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,2,0,0,0,0|1,0,0]=3 6943 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,2,0,0,0,0|0,0,0]=2 6944 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,2,0,0,0,0|0,0,0]=2 6945 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,2,0,0,0,0|0,0,0]=2 6946 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,2,0,0,0,0|0,0,0]=2 6947 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,2,0,0,0,0|1,0,0]=3 6948 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,2,0,0,0,0|1,0,0]=3 6949 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,2,0,0,0,0|1,0,0]=3 6950 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,2,0,0,0,0|1,0,0]=3 6951 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,2,0,0,0,0|1,0,0]=3 6952 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,2,0,0,0,0|1,0,0]=3 6953 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,2,0,0,0,0|0,0,0]=2 6954 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,2,0,0,0,0|1,0,0]=3 6955 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,2,0,0,0,0|1,1,0]=4 6956 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,2,0,0,0,0|1,1,0]=4 6957 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,2,0,0,0,0|1,0,0]=3 6958 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,2,0,0,0,0|1,0,0]=3 6959 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,2,0,0,0,0|2,0,0]=4 6960 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,2,0,0,0,0|2,0,0]=4 6961 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,2,0,0,0,0|2,0,0]=4 6962 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,2,0,0,0,0|1,0,0]=3 6963 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,2,0,0,0,0|1,0,0]=3 6964 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,2,0,0,0,0|1,0,0]=3 6965 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,2,0,0,0,0|1,0,0]=3 6966 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,2,0,0,0,0|2,0,0]=4 6967 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,2,0,0,0,0|2,0,0]=4 6968 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,2,0,0,0,0|0,0,0]=2 6969 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,2,0,0,0,0|0,0,0]=2 6970 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,2,0,0,0,0|0,0,0]=2 6971 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,2,0,0,0,0|0,0,0]=2 6972 B11R0.148 CCCCOCCCNC(C)C 2230a_200000211371_100000210206 [0,2,0,0,0,0|1,0,1]=4 6973 B11R0.148 CCCCOCCCNC(C)C 34a_100000182298_100000210210 [0,2,0,0,0,0|1,0,1]=4 6974 B11R0.148 CCCCOCCCNC(C)C 34a_200000211371_100000210206 [0,2,0,0,0,0|1,0,1]=4 6975 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,2,0,0,0,0|1,0,0]=3 6976 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,2,0,0,0,0|1,0,0]=3 6977 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,2,0,0,0,0|1,1,0]=4 6978 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,2,0,0,0,0|1,1,0]=4 6979 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,2,0,0,0,0|1,0,0]=3 6980 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,2,0,0,0,0|1,0,0]=3 6981 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,2,0,0,0,0|1,0,0]=3 6982 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,2,0,0,0,0|1,0,0]=3 6983 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,2,0,0,0,0|2,0,0]=4 6984 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,2,0,0,0,0|2,0,0]=4 6985 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,2,0,0,0,0|2,0,0]=4 6986 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,2,0,0,0,0|2,0,0]=4 6987 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,2,0,0,0,0|2,0,0]=4 6988 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,2,0,0,0,0|2,0,0]=4 6989 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,2,0,0,0,0|2,0,0]=4 6990 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,2,0,0,0,0|2,0,0]=4 6991 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,2,0,0,0,0|2,0,0]=4 6992 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,2,0,0,0,0|2,0,0]=4 6993 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,2,0,0,0,0|2,0,0]=4 6994 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,2,0,0,0,0|2,0,0]=4 6995 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,2,0,0,0,0|2,0,0]=4 6996 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,2,0,0,0,0|2,0,0]=4 6997 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,2,0,0,0,0|2,0,0]=4 6998 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,2,0,0,0,0|2,0,0]=4 6999 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,2,0,0,0,0|2,0,0]=4 7000 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,2,0,0,0,0|2,0,0]=4 7001 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,2,0,0,0,0|2,0,0]=4 7002 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,2,0,0,0,0|2,0,0]=4 7003 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,2,0,0,0,0|1,0,0]=3 7004 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,2,0,0,0,0|1,0,0]=3 7005 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,2,0,0,0,0|1,0,0]=3 7006 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,2,0,0,0,0|1,0,0]=3 7007 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,2,0,0,0,0|1,1,0]=4 7008 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,2,0,0,0,0|1,1,0]=4 7009 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,2,0,0,0,0|1,0,0]=3 7010 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,2,0,0,0,0|1,0,0]=3 7011 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,2,0,0,0,0|1,0,0]=3 7012 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,2,0,0,0,0|2,0,0]=4 7013 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,2,0,0,0,0|2,0,0]=4 7014 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,2,0,0,0,0|2,0,0]=4 7015 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,2,0,0,0,0|2,0,0]=4 7016 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,2,0,0,0,0|2,0,0]=4 7017 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,2,0,0,0,0|1,0,1]=4 7018 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,2,0,0,0,0|1,0,1]=4 7019 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,2,0,0,0,0|0,0,0]=2 7020 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,2,0,0,0,0|0,0,0]=2 7021 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,2,0,0,0,0|1,0,0]=3 7022 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,2,0,0,0,0|1,0,0]=3 7023 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,2,0,0,0,0|1,0,0]=3 7024 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,2,0,0,0,0|1,0,0]=3 7025 B11R0.148 CCCOCCCCNC(C)C 34a_100011521146_100000210303 [0,2,0,0,0,0|1,0,1]=4 7026 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,2,0,0,0,0|1,0,0]=3 7027 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,2,0,0,0,0|1,0,0]=3 7028 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,2,0,0,0,0|1,0,0]=3 7029 B11R0.148 CCCOCCCCO[N+](=O)[O-] 34a_100000210258_100015694321 [0,2,0,0,0,0|2,0,0]=4 7030 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,2,0,0,0,0|1,0,0]=3 7031 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,2,0,0,0,0|1,0,0]=3 7032 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,2,0,0,0,0|1,0,0]=3 7033 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,2,0,0,0,0|1,0,0]=3 7034 B11R0.148 CCCOCCCNC[N+](=O)[O-] 34a_100011217757_100000761209 [0,2,0,0,0,0|1,0,1]=4 7035 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,2,0,0,0,0|2,0,0]=4 7036 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,2,0,0,0,0|2,0,0]=4 7037 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,2,0,0,0,0|2,0,0]=4 7038 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,2,0,0,0,0|2,0,0]=4 7039 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,2,0,0,0,0|2,0,0]=4 7040 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,2,0,0,0,0|2,0,0]=4 7041 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,2,0,0,0,0|2,0,0]=4 7042 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,2,0,0,0,0|2,0,0]=4 7043 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,2,0,0,0,0|2,0,0]=4 7044 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,2,0,0,0,0|2,0,0]=4 7045 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,2,0,0,0,0|2,0,0]=4 7046 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,2,0,0,0,0|2,0,0]=4 7047 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,2,0,0,0,0|2,0,0]=4 7048 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,2,0,0,0,0|2,0,0]=4 7049 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,2,0,0,0,0|2,0,0]=4 7050 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,2,0,0,0,0|2,0,0]=4 7051 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,2,0,0,0,0|2,0,0]=4 7052 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,2,0,0,0,0|2,0,0]=4 7053 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,2,0,0,0,0|1,0,0]=3 7054 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,2,0,0,0,0|1,0,0]=3 7055 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,2,0,0,0,0|1,0,0]=3 7056 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,2,0,0,0,0|1,0,0]=3 7057 B11R0.148 CCCSCCCCO[N+](=O)[O-] 62a_100000210303_100015694321 [0,2,0,0,0,0|2,0,0]=4 7058 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,2,0,0,0,0|1,0,0]=3 7059 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,2,0,0,0,0|1,0,0]=3 7060 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,2,0,0,0,0|2,0,0]=4 7061 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,2,0,0,0,0|2,0,0]=4 7062 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,2,0,0,0,0|2,0,0]=4 7063 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,2,0,0,0,0|2,0,0]=4 7064 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,2,0,0,0,0|2,0,0]=4 7065 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,2,0,0,0,0|2,0,0]=4 7066 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,2,0,0,0,0|2,0,0]=4 7067 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,2,0,0,0,0|1,0,1]=4 7068 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,2,0,0,0,0|1,0,1]=4 7069 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,2,0,0,0,0|0,0,0]=2 7070 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,2,0,0,0,0|0,0,0]=2 7071 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,2,0,0,0,0|1,0,0]=3 7072 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,2,0,0,0,0|2,0,0]=4 7073 B11R0.148 CCOCCCCCNC(C)C 34a_100011629493_100000210202 [0,2,0,0,0,0|1,0,1]=4 7074 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,2,0,0,0,0|1,0,0]=3 7075 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,2,0,0,0,0|2,0,0]=4 7076 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,2,0,0,0,0|2,0,0]=4 7077 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,2,0,0,0,0|2,0,0]=4 7078 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,2,0,0,0,0|2,0,0]=4 7079 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,2,0,0,0,0|2,0,0]=4 7080 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,2,0,0,0,0|2,0,0]=4 7081 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,2,0,0,0,0|2,0,0]=4 7082 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,2,0,0,0,0|2,0,0]=4 7083 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,2,0,0,0,0|2,0,0]=4 7084 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,2,0,0,0,0|2,0,0]=4 7085 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,2,0,0,0,0|2,0,0]=4 7086 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,2,0,0,0,0|2,0,0]=4 7087 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,2,0,0,0,0|2,0,0]=4 7088 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,2,0,0,0,0|2,0,0]=4 7089 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,2,0,0,0,0|2,0,0]=4 7090 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,2,0,0,0,0|2,0,0]=4 7091 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,2,0,0,0,0|2,0,0]=4 7092 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,2,0,0,0,0|2,0,0]=4 7093 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,2,0,0,0,0|2,0,0]=4 7094 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,2,0,0,0,0|2,0,0]=4 7095 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [0,2,0,0,0,0|1,0,0]=3 7096 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [0,2,0,0,0,0|1,0,0]=3 7097 B11R0.148 CCOCCNCCNC(=O)N 2230a_102516460346_200000034859 [0,2,0,0,0,0|1,0,0]=3 7098 B11R0.148 CCOCCNCCNC(=O)N 34a_100020590234_100000210147 [0,2,0,0,0,0|1,0,0]=3 7099 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,2,0,0,0,0|2,0,0]=4 7100 B11R0.148 CCOCCNCCOC(=O)N 34a_102516460346_200011214921 [0,2,0,0,0,0|2,0,0]=4 7101 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,2,0,0,0,0|2,0,0]=4 7102 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,2,0,0,0,0|2,0,0]=4 7103 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,2,0,0,0,0|2,0,0]=4 7104 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,2,0,0,0,0|2,0,0]=4 7105 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,2,0,0,0,0|2,0,0]=4 7106 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,2,0,0,0,0|2,0,0]=4 7107 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,2,0,0,0,0|1,0,0]=3 7108 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,2,0,0,0,0|1,0,0]=3 7109 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,2,0,0,0,0|1,0,0]=3 7110 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,2,0,0,0,0|1,0,0]=3 7111 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,2,0,0,0,0|1,0,0]=3 7112 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,2,0,0,0,0|1,0,0]=3 7113 B11R0.148 CCOCCOCCNC(=O)N 34a_100000181757_100000210147 [0,2,0,0,0,0|1,0,0]=3 7114 B11R0.148 CCOCCOCCNC(=O)N 7a_100000210136_200000034859 [0,2,0,0,0,0|1,0,0]=3 7115 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,2,0,0,0,0|2,0,0]=4 7116 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,2,0,0,0,0|2,0,0]=4 7117 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,2,0,0,0,0|2,0,0]=4 7118 B11R0.148 CCOCCOCCOC(=O)N 34a_100000210136_200011214921 [0,2,0,0,0,0|2,0,0]=4 7119 B11R0.148 CCOCCOCCOC(=O)N 7a_100000210136_200011214921 [0,2,0,0,0,0|2,0,0]=4 7120 B11R0.148 CCOCCOCCOC(=O)N 7a_100000766696_100011215890 [0,2,0,0,0,0|2,0,0]=4 7121 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,2,0,0,0,0|2,0,0]=4 7122 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,2,0,0,0,0|2,0,0]=4 7123 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,2,0,0,0,0|2,0,0]=4 7124 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,2,0,0,0,0|2,0,0]=4 7125 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [0,2,0,0,0,0|1,0,0]=3 7126 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [0,2,0,0,0,0|1,0,0]=3 7127 B11R0.148 CCOCCSCCNC(=O)N 62a_100000210147_200000034859 [0,2,0,0,0,0|1,0,0]=3 7128 B11R0.148 CCOCCSCCNC(=O)N 62a_200000034859_100011215890 [0,2,0,0,0,0|1,0,0]=3 7129 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,2,0,0,0,0|2,0,0]=4 7130 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,2,0,0,0,0|2,0,0]=4 7131 B11R0.148 CCOCCSCCOC(=O)N 62a_100000210147_200011214921 [0,2,0,0,0,0|2,0,0]=4 7132 B11R0.148 CCOCCSCCOC(=O)N 62a_200011214921_100011215890 [0,2,0,0,0,0|2,0,0]=4 7133 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,2,0,0,0,0|2,0,0]=4 7134 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,2,0,0,0,0|2,0,0]=4 7135 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,2,0,0,0,0|2,0,0]=4 7136 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,2,0,0,0,0|2,0,0]=4 7137 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [0,2,0,0,0,0|2,0,0]=4 7138 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [0,2,0,0,0,0|2,0,0]=4 7139 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,2,0,0,0,0|1,0,0]=3 7140 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,2,0,0,0,0|1,0,0]=3 7141 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,2,0,0,0,0|2,0,0]=4 7142 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,2,0,0,0,0|2,0,0]=4 7143 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,2,0,0,0,0|2,0,0]=4 7144 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,2,0,0,0,0|2,0,0]=4 7145 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,2,0,0,0,0|2,0,0]=4 7146 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [0,2,0,0,0,0|1,0,0]=3 7147 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [0,2,0,0,0,0|1,0,0]=3 7148 B11R0.148 CCSCCNCCNC(=O)N 2230a_100000106463_200000034859 [0,2,0,0,0,0|1,0,0]=3 7149 B11R0.148 CCSCCNCCNC(=O)N 34a_100020590234_100000757381 [0,2,0,0,0,0|1,0,0]=3 7150 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,2,0,0,0,0|2,0,0]=4 7151 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,2,0,0,0,0|2,0,0]=4 7152 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,2,0,0,0,0|2,0,0]=4 7153 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,2,0,0,0,0|2,0,0]=4 7154 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,2,0,0,0,0|2,0,0]=4 7155 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,2,0,0,0,0|2,0,0]=4 7156 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,2,0,0,0,0|1,0,0]=3 7157 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,2,0,0,0,0|1,0,0]=3 7158 B11R0.148 CCSCCOCCNC(=O)N 34a_100000181757_100000757381 [0,2,0,0,0,0|1,0,0]=3 7159 B11R0.148 CCSCCOCCNC(=O)N 7a_100000212035_200000034859 [0,2,0,0,0,0|1,0,0]=3 7160 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,2,0,0,0,0|2,0,0]=4 7161 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,2,0,0,0,0|2,0,0]=4 7162 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,2,0,0,0,0|2,0,0]=4 7163 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,2,0,0,0,0|2,0,0]=4 7164 B11R0.148 CCSCCOCCOC(=O)N 34a_100000212035_200011214921 [0,2,0,0,0,0|2,0,0]=4 7165 B11R0.148 CCSCCOCCOC(=O)N 7a_100000212035_200011214921 [0,2,0,0,0,0|2,0,0]=4 7166 B11R0.148 CCSCCOCCOC(=O)N 7a_100000766696_100000757381 [0,2,0,0,0,0|2,0,0]=4 7167 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,2,0,0,0,0|2,0,0]=4 7168 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,2,0,0,0,0|2,0,0]=4 7169 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,2,0,0,0,0|2,0,0]=4 7170 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,2,0,0,0,0|2,0,0]=4 7171 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [0,2,0,0,0,0|1,0,0]=3 7172 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [0,2,0,0,0,0|1,0,0]=3 7173 B11R0.148 CCSCCSCCNC(=O)N 62a_100000757381_200000034859 [0,2,0,0,0,0|1,0,0]=3 7174 B11R0.148 CCSCCSCCNC(=O)N 62a_200000034859_100000757381 [0,2,0,0,0,0|1,0,0]=3 7175 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,2,0,0,0,0|2,0,0]=4 7176 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,2,0,0,0,0|2,0,0]=4 7177 B11R0.148 CCSCCSCCOC(=O)N 62a_100000757381_200011214921 [0,2,0,0,0,0|2,0,0]=4 7178 B11R0.148 CCSCCSCCOC(=O)N 62a_200011214921_100000757381 [0,2,0,0,0,0|2,0,0]=4 7179 B11R0.148 CN(C)CCCSCCCC=O 62a_200011292268_100000757444 [0,2,0,0,0,0|2,0,0]=4 7180 B11R0.148 CN(C)CCSCCCCC=O 62a_100000139335_100000755713 [0,2,0,0,0,0|2,0,0]=4 7181 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,2,0,0,0,0|0,0,0]=2 7182 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,2,0,0,0,0|0,0,0]=2 7183 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,2,0,0,0,0|2,0,0]=4 7184 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,2,0,0,0,0|2,0,0]=4 7185 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,2,0,0,0,0|2,0,0]=4 7186 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,2,0,0,0,0|2,0,0]=4 7187 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,2,0,0,0,0|2,0,0]=4 7188 B11R0.148 CNCCCOCCOC(=O)N 34a_100000213112_200011214921 [0,2,0,0,0,0|2,0,0]=4 7189 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,2,0,0,0,0|1,0,1]=4 7190 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,2,0,0,0,0|1,0,1]=4 7191 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,2,0,0,0,0|1,0,0]=3 7192 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,2,0,0,0,0|1,0,0]=3 7193 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,2,0,0,0,0|1,0,0]=3 7194 B11R0.148 COCCCCCNC[N+](=O)[O-] 34a_100000747528_100000761209 [0,2,0,0,0,0|1,0,1]=4 7195 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,2,0,0,0,0|2,0,0]=4 7196 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,2,0,0,0,0|2,0,0]=4 7197 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,2,0,0,0,0|2,0,0]=4 7198 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,2,0,0,0,0|2,0,0]=4 7199 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,2,0,0,0,0|2,0,0]=4 7200 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,2,0,0,0,0|2,0,0]=4 7201 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,2,0,0,0,0|2,0,0]=4 7202 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,2,0,0,0,0|2,0,0]=4 7203 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,2,0,0,0,0|2,0,0]=4 7204 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,2,0,0,0,0|2,0,0]=4 7205 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,2,0,0,0,0|2,0,0]=4 7206 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,2,0,0,0,0|2,0,0]=4 7207 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,2,0,0,0,0|2,0,0]=4 7208 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,2,0,0,0,0|2,0,0]=4 7209 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,2,0,0,0,0|2,0,0]=4 7210 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,2,0,0,0,0|1,0,0]=3 7211 B11R0.148 COCCCNCCNC(=O)N 34a_100020590234_100000740836 [0,2,0,0,0,0|1,0,0]=3 7212 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,2,0,0,0,0|2,0,0]=4 7213 B11R0.148 COCCCNCCOC(=O)N 34a_100150723488_200011214921 [0,2,0,0,0,0|2,0,0]=4 7214 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,2,0,0,0,0|2,0,0]=4 7215 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,2,0,0,0,0|2,0,0]=4 7216 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,2,0,0,0,0|2,0,0]=4 7217 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,2,0,0,0,0|2,0,0]=4 7218 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,2,0,0,0,0|1,0,0]=3 7219 B11R0.148 COCCCOCCNC(=O)N 34a_100000181757_100000740836 [0,2,0,0,0,0|1,0,0]=3 7220 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,2,0,0,0,0|2,0,0]=4 7221 B11R0.148 COCCCOCCOC(=O)N 34a_100000740835_200011214921 [0,2,0,0,0,0|2,0,0]=4 7222 B11R0.148 COCCCOCCOC(=O)N 7a_100000766696_100000740836 [0,2,0,0,0,0|2,0,0]=4 7223 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,2,0,0,0,0|2,0,0]=4 7224 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,2,0,0,0,0|2,0,0]=4 7225 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,2,0,0,0,0|2,0,0]=4 7226 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,2,0,0,0,0|2,0,0]=4 7227 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,2,0,0,0,0|1,0,0]=3 7228 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,2,0,0,0,0|1,0,0]=3 7229 B11R0.148 COCCCSCCNC(=O)N 62a_100000709357_200000034859 [0,2,0,0,0,0|1,0,0]=3 7230 B11R0.148 COCCCSCCNC(=O)N 62a_200000034859_100000709357 [0,2,0,0,0,0|1,0,0]=3 7231 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,2,0,0,0,0|2,0,0]=4 7232 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,2,0,0,0,0|2,0,0]=4 7233 B11R0.148 COCCCSCCOC(=O)N 62a_100000709357_200011214921 [0,2,0,0,0,0|2,0,0]=4 7234 B11R0.148 COCCCSCCOC(=O)N 62a_200011214921_100000709357 [0,2,0,0,0,0|2,0,0]=4 7235 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,2,0,0,0,0|2,0,0]=4 7236 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,2,0,0,0,0|1,0,0]=3 7237 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,2,0,0,0,0|2,0,0]=4 7238 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,2,0,0,0,0|2,0,0]=4 7239 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,2,0,0,0,0|2,0,0]=4 7240 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,2,0,0,0,0|2,0,0]=4 7241 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,2,0,0,0,0|1,0,0]=3 7242 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,2,0,0,0,0|1,0,0]=3 7243 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,2,0,0,0,0|1,0,0]=3 7244 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,2,0,0,0,0|2,0,0]=4 7245 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,2,0,0,0,0|2,0,0]=4 7246 B11R0.148 COCCOCCNCC(=O)N 2230a_100000711301_100000695917 [0,2,0,0,0,0|2,0,0]=4 7247 B11R0.148 COCCOCCNCC(=O)N 2230a_100000745349_100000747473 [0,2,0,0,0,0|2,0,0]=4 7248 B11R0.148 COCCOCCNCC(=O)N 34a_100000745349_100000187820 [0,2,0,0,0,0|2,0,0]=4 7249 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,2,0,0,0,0|2,0,0]=4 7250 B11R0.148 COCCOCCNCC(=O)[O-] 34a_100000745349_100020667443 [0,2,0,0,0,0|2,0,0]=4 7251 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,2,0,0,0,0|2,0,0]=4 7252 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,2,0,0,0,0|2,0,0]=4 7253 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,2,0,0,0,0|2,0,0]=4 7254 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,2,0,0,0,0|2,0,0]=4 7255 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,2,0,0,0,0|2,0,0]=4 7256 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,2,0,0,0,0|2,0,0]=4 7257 B11R0.148 COCNCCCCCC(C)C 2230a_100011290863_100000766300 [0,2,0,0,0,0|0,0,2]=4 7258 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,2,0,0,0,0|1,0,0]=3 7259 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,2,0,0,0,0|2,0,0]=4 7260 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,2,0,0,0,0|2,0,0]=4 7261 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,2,0,0,0,0|2,0,0]=4 7262 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,2,0,0,0,0|2,0,0]=4 7263 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,2,0,0,0,0|2,0,0]=4 7264 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,2,0,0,0,0|2,0,0]=4 7265 B11R0.148 CS(=O)CCCNCCCC=O 2230a_200000753449_200011292268 [0,2,0,0,0,0|2,0,0]=4 7266 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,2,0,0,0,0|2,0,0]=4 7267 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,2,0,0,0,0|2,0,0]=4 7268 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,2,0,0,0,0|2,0,0]=4 7269 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,2,0,0,0,0|2,0,0]=4 7270 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,2,0,0,0,0|1,0,0]=3 7271 B11R0.148 CSCCCNCCNC(=O)N 2230a_100000749238_200000034859 [0,2,0,0,0,0|1,0,0]=3 7272 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,2,0,0,0,0|2,0,0]=4 7273 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,2,0,0,0,0|2,0,0]=4 7274 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,2,0,0,0,0|2,0,0]=4 7275 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,2,0,0,0,0|2,0,0]=4 7276 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,2,0,0,0,0|1,0,0]=3 7277 B11R0.148 CSCCCOCCNC(=O)N 7a_100000690336_200000034859 [0,2,0,0,0,0|1,0,0]=3 7278 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,2,0,0,0,0|2,0,0]=4 7279 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,2,0,0,0,0|2,0,0]=4 7280 B11R0.148 CSCCCOCCOC(=O)N 34a_100000690336_200011214921 [0,2,0,0,0,0|2,0,0]=4 7281 B11R0.148 CSCCCOCCOC(=O)N 7a_100000690336_200011214921 [0,2,0,0,0,0|2,0,0]=4 7282 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,2,0,0,0,0|2,0,0]=4 7283 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,2,0,0,0,0|1,0,0]=3 7284 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,2,0,0,0,0|2,0,0]=4 7285 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,2,0,0,0,0|2,0,0]=4 7286 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,2,0,0,0,0|2,0,0]=4 7287 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,2,0,0,0,0|2,0,0]=4 7288 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,2,0,0,0,0|2,0,0]=4 7289 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,2,0,0,0,0|1,0,0]=3 7290 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,2,0,0,0,0|2,0,0]=4 7291 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,2,0,0,0,0|2,0,0]=4 7292 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,2,0,0,0,0|2,0,0]=4 7293 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,2,0,0,0,0|2,0,0]=4 7294 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,2,0,0,0,0|2,0,0]=4 7295 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,2,0,0,0,0|2,0,0]=4 7296 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,2,0,0,0,0|2,0,0]=4 7297 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,2,0,0,0,0|2,0,0]=4 7298 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,2,0,0,0,0|2,0,0]=4 7299 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,2,0,0,0,0|2,0,0]=4 7300 B11R0.148 CSCNCCCCCC(C)C 2230a_100011290863_100011218213 [0,2,0,0,0,0|0,1,1]=4 7301 B11R0.148 CSCNCCCCCC(C)C 34a_100011290863_100011218213 [0,2,0,0,0,0|0,1,1]=4 7302 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,2,0,0,0,0|1,0,0]=3 7303 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,2,0,0,0,0|1,0,0]=3 7304 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,2,0,0,0,0|2,0,0]=4 7305 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,2,0,0,0,0|2,0,0]=4 7306 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,2,0,0,0,0|2,0,0]=4 7307 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,2,0,0,0,0|2,0,0]=4 7308 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,2,0,0,0,0|2,0,0]=4 7309 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,2,0,0,0,0|2,0,0]=4 7310 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,2,0,0,0,0|2,0,0]=4 7311 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,2,0,0,0,0|2,0,0]=4 7312 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [0,2,0,0,0,0|1,0,0]=3 7313 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [0,2,0,0,0,0|1,0,0]=3 7314 B11R0.148 N#CCCCCCNCC(=O)N 2230a_100000711301_100009813376 [0,2,0,0,0,0|1,0,1]=4 7315 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,2,0,0,0,0|1,0,1]=4 7316 B11R0.148 N#CCCCSCCNC(=O)N 62a_100000687738_200000034859 [0,2,0,0,0,0|1,0,1]=4 7317 B11R0.148 N#CCCCSCCNC(=O)N 62a_200000034859_100000687738 [0,2,0,0,0,0|1,0,1]=4 7318 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,2,0,0,0,0|2,0,0]=4 7319 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,2,0,0,0,0|2,0,0]=4 7320 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,2,0,0,0,0|2,0,0]=4 7321 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,2,0,0,0,0|2,0,0]=4 7322 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,2,0,0,0,0|2,0,0]=4 7323 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,2,0,0,0,0|2,0,0]=4 7324 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,2,0,0,0,0|2,0,0]=4 7325 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,2,0,0,0,0|2,0,0]=4 7326 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,2,0,0,0,0|2,0,0]=4 7327 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,2,0,0,0,0|2,0,0]=4 7328 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,2,0,0,0,0|2,0,0]=4 7329 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,2,0,0,0,0|2,0,0]=4 7330 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,2,0,0,0,0|2,0,0]=4 7331 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,2,0,0,0,0|2,0,0]=4 7332 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,2,0,0,0,0|2,0,0]=4 7333 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,2,0,0,0,0|2,0,0]=4 7334 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,2,0,0,0,0|2,0,0]=4 7335 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,2,0,0,0,0|2,0,0]=4 7336 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,2,0,0,0,0|2,0,0]=4 7337 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,2,0,0,0,0|2,0,0]=4 7338 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,2,0,0,0,0|2,0,0]=4 7339 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,2,0,0,0,0|2,0,0]=4 7340 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,2,0,0,0,0|2,0,0]=4 7341 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,2,0,0,0,0|2,0,0]=4 7342 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,2,0,0,0,0|2,0,0]=4 7343 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,2,0,0,0,0|2,0,0]=4 7344 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,2,0,0,0,0|2,0,0]=4 7345 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,2,0,0,0,0|2,0,0]=4 7346 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,2,0,0,0,0|2,0,0]=4 7347 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,2,0,0,0,0|2,0,0]=4 7348 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,2,0,0,0,0|2,0,0]=4 7349 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,2,0,0,0,0|2,0,0]=4 7350 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,2,0,0,0,0|2,0,0]=4 7351 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,2,0,0,0,0|2,0,0]=4 7352 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,2,0,0,0,0|2,0,0]=4 7353 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,2,0,0,0,0|2,0,0]=4 7354 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,2,0,0,0,0|2,0,0]=4 7355 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,2,0,0,0,0|2,0,0]=4 7356 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,2,0,0,0,0|2,0,0]=4 7357 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,2,0,0,0,0|2,0,0]=4 7358 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,2,0,0,0,0|2,0,0]=4 7359 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,2,0,0,0,0|2,0,0]=4 7360 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,2,0,0,0,0|2,0,0]=4 7361 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,2,0,0,0,0|2,0,0]=4 7362 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,2,0,0,0,0|2,0,0]=4 7363 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,2,0,0,0,0|2,0,0]=4 7364 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,2,0,0,0,0|2,0,0]=4 7365 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [0,2,0,0,0,0|1,0,1]=4 7366 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,2,0,0,0,0|1,0,0]=3 7367 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,2,0,0,0,0|1,0,0]=3 7368 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,2,0,0,0,0|1,0,0]=3 7369 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,2,0,0,0,0|1,0,0]=3 7370 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,2,0,0,0,0|2,0,0]=4 7371 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,2,0,0,0,0|2,0,0]=4 7372 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,2,0,0,0,0|2,0,0]=4 7373 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,2,0,0,0,0|2,0,0]=4 7374 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,2,0,0,0,0|2,0,0]=4 7375 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,2,0,0,0,0|2,0,0]=4 7376 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,2,0,0,0,0|2,0,0]=4 7377 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,2,0,0,0,0|2,0,0]=4 7378 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,2,0,0,0,0|2,0,0]=4 7379 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,2,0,0,0,0|2,0,0]=4 7380 B11R0.148 NC(=O)NCCNCCCCF 34a_100020590234_100000729493 [0,2,0,0,0,0|1,0,0]=3 7381 B11R0.148 NC(=O)NCCNCCCCO 2230a_100000750430_200000034859 [0,2,0,0,0,0|1,0,0]=3 7382 B11R0.148 NC(=O)NCCNCCCCO 34a_100020590234_100011216708 [0,2,0,0,0,0|1,0,0]=3 7383 B11R0.148 NC(=O)NCCOCCCCCl 7a_100000210776_200000034859 [0,2,0,0,0,0|1,0,0]=3 7384 B11R0.148 NC(=O)NCCOCCCCF 34a_100000181757_100000729493 [0,2,0,0,0,0|1,0,0]=3 7385 B11R0.148 NC(=O)NCCOCCCCF 7a_100011995726_200000034859 [0,2,0,0,0,0|1,0,0]=3 7386 B11R0.148 NC(=O)NCCOCCCCO 34a_100000181757_100011216708 [0,2,0,0,0,0|1,0,0]=3 7387 B11R0.148 NC(=O)NCCSCCCC=O 62a_200000034859_200011292268 [0,2,0,0,0,0|1,0,1]=4 7388 B11R0.148 NC(=O)NCCSCCCC=O 62a_200011292268_200000034859 [0,2,0,0,0,0|1,0,1]=4 7389 B11R0.148 NC(=O)NCCSCCCCF 62a_100000729493_200000034859 [0,2,0,0,0,0|1,0,0]=3 7390 B11R0.148 NC(=O)NCCSCCCCF 62a_200000034859_100000729493 [0,2,0,0,0,0|1,0,0]=3 7391 B11R0.148 NC(=O)NCCSCCCCO 62a_100000210776_200000034859 [0,2,0,0,0,0|1,0,0]=3 7392 B11R0.148 NC(=O)NCCSCCCCO 62a_200000034859_100000210776 [0,2,0,0,0,0|1,0,0]=3 7393 B11R0.148 NC(=O)OCCNCCCCO 34a_100000750430_200011214921 [0,2,0,0,0,0|2,0,0]=4 7394 B11R0.148 NC(=O)OCCOCCCCBr 34a_100011216708_200011214921 [0,2,0,0,0,0|2,0,0]=4 7395 B11R0.148 NC(=O)OCCOCCCCCl 34a_100000210776_200011214921 [0,2,0,0,0,0|2,0,0]=4 7396 B11R0.148 NC(=O)OCCOCCCCCl 7a_100000210776_200011214921 [0,2,0,0,0,0|2,0,0]=4 7397 B11R0.148 NC(=O)OCCOCCCCF 34a_100011995726_200011214921 [0,2,0,0,0,0|2,0,0]=4 7398 B11R0.148 NC(=O)OCCOCCCCF 7a_100000766696_100000729493 [0,2,0,0,0,0|2,0,0]=4 7399 B11R0.148 NC(=O)OCCOCCCCF 7a_100011995726_200011214921 [0,2,0,0,0,0|2,0,0]=4 7400 B11R0.148 NC(=O)OCCOCCCCI 34a_200012148704_200011214921 [0,2,0,0,0,0|2,0,0]=4 7401 B11R0.148 NC(=O)OCCOCCCCO 7a_100000766696_100000210776 [0,2,0,0,0,0|2,0,0]=4 7402 B11R0.148 NC(=O)OCCSCCCCF 62a_100000729493_200011214921 [0,2,0,0,0,0|2,0,0]=4 7403 B11R0.148 NC(=O)OCCSCCCCF 62a_200011214921_100000729493 [0,2,0,0,0,0|2,0,0]=4 7404 B11R0.148 NC(=O)OCCSCCCCO 62a_100000210776_200011214921 [0,2,0,0,0,0|2,0,0]=4 7405 B11R0.148 NC(=O)OCCSCCCCO 62a_200011214921_100000210776 [0,2,0,0,0,0|2,0,0]=4 7406 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,2,0,0,0,0|2,0,0]=4 7407 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,2,0,0,0,0|2,0,0]=4 7408 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,2,0,0,0,0|2,0,0]=4 7409 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,2,0,0,0,0|2,0,0]=4 7410 B11R0.148 NCCCCOCCOC(=O)N 34a_100000750430_200011214921 [0,2,0,0,0,0|2,0,0]=4 7411 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,2,0,0,0,0|2,0,0]=4 7412 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,2,0,0,0,0|1,0,0]=3 7413 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,2,0,0,0,0|1,0,0]=3 7414 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,2,0,0,0,0|2,0,0]=4 7415 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,2,0,0,0,0|2,0,0]=4 7416 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,2,0,0,0,0|1,0,0]=3 7417 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,2,0,0,0,0|2,0,0]=4 7418 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,2,0,0,0,0|2,0,0]=4 7419 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,2,0,0,0,0|2,0,0]=4 7420 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,2,0,0,0,0|2,0,0]=4 7421 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,2,0,0,0,0|2,0,0]=4 7422 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,2,0,0,0,0|2,0,0]=4 7423 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,2,0,0,0,0|2,0,0]=4 7424 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,2,0,0,0,0|1,0,1]=4 7425 B11R0.148 O=CCCCCCSCC(F)F 62a_100000139337_100011934356 [0,2,0,0,0,0|2,0,0]=4 7426 B11R0.148 O=CCCCCCSCC(F)F 62a_100011934356_100000139337 [0,2,0,0,0,0|2,0,0]=4 7427 B11R0.148 O=[N+]([O-])CNCCCCCCO 34a_100000686447_100000761209 [0,2,0,0,0,0|1,0,1]=4 7428 B11R0.159 CC(C)(C)CCNCCCC=O 2230a_100000738805_200011292268 [0,2,0,0,0,0|2,0,0]=4 7429 B11R0.159 CC(C)(C)CCOCCCC=O 7a_100000765024_200011292268 [0,2,0,0,0,0|2,0,0]=4 7430 B11R0.159 CC(C)(C)CCSCCCC=O 62a_100000755188_200011292268 [0,2,0,0,0,0|2,0,0]=4 7431 B11R0.159 CC(C)(C)CCSCCCC=O 62a_200011292268_100000755188 [0,2,0,0,0,0|2,0,0]=4 7432 B11R0.159 CC(C)(C)CNCCCCC=O 2230a_100000743828_100000139335 [0,2,0,0,0,0|2,0,0]=4 7433 B11R0.159 CC(C)(C)CSCCCCC=O 62a_100000139335_100011219605 [0,2,0,0,0,0|2,0,0]=4 7434 B11R0.159 CC(C)(C)CSCCCCC=O 62a_100011219605_100000139335 [0,2,0,0,0,0|2,0,0]=4 7435 B11R0.159 CC(C)(C)NCCCCCC=O 2230a_100000715429_100000139337 [0,2,0,0,0,0|2,0,0]=4 7436 B11R0.159 CC(C)(C)OCCCCCC=O 7a_100015890283_100000139337 [0,2,0,0,0,0|2,0,0]=4 7437 B11R0.159 CC(C)(C)SCCCCCC=O 62a_100000139337_100000211941 [0,2,0,0,0,0|2,0,0]=4 7438 B11R0.159 CC(C)(C)SCCCCCC=O 62a_100000211941_100000139337 [0,2,0,0,0,0|2,0,0]=4 7439 B11R0.159 CC(C)(F)CCNCCCC=O 2230a_100016253952_200011292268 [0,2,0,0,0,0|2,0,0]=4 7440 B11R0.159 CC(C)(F)CNCCCCC=O 2230a_100020643315_100000139335 [0,2,0,0,0,0|2,0,0]=4 7441 B11R0.159 CC(C)(F)CSCCCCC=O 62a_100000139335_100011997219 [0,2,0,0,0,0|2,0,0]=4 7442 B11R0.159 CC(C)(F)CSCCCCC=O 62a_100011997219_100000139335 [0,2,0,0,0,0|2,0,0]=4 7443 B11R0.159 CC(C)(O)CCSCCCC=O 62a_100000702414_200011292268 [0,2,0,0,0,0|2,0,0]=4 7444 B11R0.159 CC(C)(O)CCSCCCC=O 62a_200011292268_100000702414 [0,2,0,0,0,0|2,0,0]=4 7445 B11R0.159 CC(C)(O)CNCCCCC=O 2230a_100000751335_100000139335 [0,2,0,0,0,0|2,0,0]=4 7446 B11R0.159 CC(C)(O)CSCCCCC=O 62a_100000139335_100000764493 [0,2,0,0,0,0|2,0,0]=4 7447 B11R0.159 CC(C)(O)CSCCCCC=O 62a_100000764493_100000139335 [0,2,0,0,0,0|2,0,0]=4 7448 B11R0.159 CCCCCCCNC(C)(C)C 2230a_100000715429_100000210681 [0,2,0,0,0,0|1,0,1]=4 7449 B11R0.159 CCCCCCCNS(=O)(=O)C 40a_100000229938_100000738038 [0,2,0,0,0,0|1,0,0]=3 7450 B11R0.159 CCCCNCCNS(=O)(=O)C 2230a_100000102301_100000754112 [0,2,0,0,0,0|2,0,0]=4 7451 B11R0.159 CCCCNCCNS(=O)(=O)C 34a_100000752411_100000210210 [0,2,0,0,0,0|2,0,0]=4 7452 B11R0.159 CCCCNCCNS(=O)(=O)C 7a_106832991798_100000754112 [0,2,0,0,0,0|2,0,0]=4 7453 B11R0.159 CCCCOCCNS(=O)(=O)C 7a_100000210227_100000754112 [0,2,0,0,0,0|2,0,0]=4 7454 B11R0.159 CCCCSCCNS(=O)(=O)C 40a_100025743550_100000738038 [0,2,0,0,0,0|2,0,0]=4 7455 B11R0.159 CCCCSCCNS(=O)(=O)C 62a_100000210211_100000754112 [0,2,0,0,0,0|2,0,0]=4 7456 B11R0.159 CCCCSCCNS(=O)(=O)C 62a_100000754112_100000210210 [0,2,0,0,0,0|2,0,0]=4 7457 B11R0.159 CCCNCCCNS(=O)(=O)C 34a_100000736790_100000210303 [0,2,0,0,0,0|2,0,0]=4 7458 B11R0.159 CCCOCCCNS(=O)(=O)C 40a_100011217757_100000738038 [0,2,0,0,0,0|2,0,0]=4 7459 B11R0.159 CCNCCCCCC(C)(C)O 2230a_100015525214_100010402123 [0,2,0,0,0,0|1,0,1]=4 7460 B11R0.159 COCCCCCNS(=O)(=O)C 40a_100000747528_100000738038 [0,2,0,0,0,0|2,0,0]=4 7461 B11R0.159 CS(=O)(=O)NCCCCCCO 40a_100000686447_100000738038 [0,2,0,0,0,0|2,0,0]=4 7462 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [0,2,0,0,0,0|1,0,1]=4 7463 B11R0.3 C#CCCCCCCNCC=C 2230a_100020586998_100012276617 [0,2,0,0,0,0|1,0,1]=4 7464 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [0,2,0,0,0,0|1,0,1]=4 7465 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [0,2,0,0,0,0|1,0,1]=4 7466 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [0,2,0,0,0,0|1,0,1]=4 7467 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [0,2,0,0,0,0|1,0,1]=4 7468 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [0,2,0,0,0,0|1,0,1]=4 7469 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [0,2,0,0,0,0|1,0,1]=4 7470 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [0,2,0,0,0,0|1,0,1]=4 7471 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [0,2,0,0,0,0|1,0,1]=4 7472 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [0,2,0,0,0,0|1,0,1]=4 7473 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [0,2,0,0,0,0|1,0,1]=4 7474 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [0,2,0,0,0,0|1,0,1]=4 7475 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [0,2,0,0,0,0|1,0,1]=4 7476 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [0,2,0,0,0,0|1,0,1]=4 7477 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [0,2,0,0,0,0|1,0,1]=4 7478 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [0,2,0,0,0,0|1,0,1]=4 7479 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [0,2,0,0,0,0|1,0,1]=4 7480 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [0,2,0,0,0,0|1,0,1]=4 7481 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [0,2,0,0,0,0|1,0,1]=4 7482 B11R0.3 C#CCNCCCCCCCO 2230a_100011996573_100000038162 [0,2,0,0,0,0|1,0,1]=4 7483 B11R0.3 C#CCNCCCCCCCO 34a_100000212058_100000760002 [0,2,0,0,0,0|1,0,1]=4 7484 B11R0.3 C#CCNCCCCCCCO 34a_100011996573_100000184674 [0,2,0,0,0,0|1,0,1]=4 7485 B11R0.3 C#CCNCCCCCCOC 34a_100000212058_100011998445 [0,2,0,0,0,0|1,0,1]=4 7486 B11R0.3 C#CCNCCCOCCCC 2230a_200000211371_100000038162 [0,2,0,0,0,0|1,0,1]=4 7487 B11R0.3 C#CCNCCCOCCCC 34a_200000211371_100000184674 [0,2,0,0,0,0|1,0,1]=4 7488 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,2,0,0,0,0|2,0,0]=4 7489 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [0,2,0,0,0,0|2,0,0]=4 7490 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,2,0,0,0,0|2,0,0]=4 7491 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [0,2,0,0,0,0|2,0,0]=4 7492 B11R0.3 C/C=C/CCOCCCOCC 34a_100016278192_100012232248 [0,2,0,0,0,0|2,0,0]=4 7493 B11R0.3 C/C=C/CCOCCOCCC 34a_100016278192_100011215938 [0,2,0,0,0,0|2,0,0]=4 7494 B11R0.3 C/C=C/CCOCOCCCC 34a_100016278192_100011995733 [0,2,0,0,0,0|2,0,0]=4 7495 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [0,2,0,0,0,0|2,0,0]=4 7496 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [0,2,0,0,0,0|2,0,0]=4 7497 B11R0.3 C/C=C/CNCCCOCCC 34a_100011217757_100102629194 [0,2,0,0,0,0|2,0,0]=4 7498 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [0,2,0,0,0,0|2,0,0]=4 7499 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [0,2,0,0,0,0|2,0,0]=4 7500 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,2,0,0,0,0|2,0,0]=4 7501 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,2,0,0,0,0|2,0,0]=4 7502 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,2,0,0,0,0|2,0,0]=4 7503 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [0,2,0,0,0,0|2,0,0]=4 7504 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [0,2,0,0,0,0|2,0,0]=4 7505 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [0,2,0,0,0,0|2,0,0]=4 7506 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [0,2,0,0,0,0|2,0,0]=4 7507 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [0,2,0,0,0,0|2,0,0]=4 7508 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [0,2,0,0,0,0|2,0,0]=4 7509 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [0,2,0,0,0,0|2,0,0]=4 7510 B11R0.3 C/C=C/COCCCCCNC 34a_100000722520_100102629194 [0,2,0,0,0,0|2,0,0]=4 7511 B11R0.3 C/C=C/COCCOCCCC 34a_100000210238_100102629194 [0,2,0,0,0,0|2,0,0]=4 7512 B11R0.3 C/C=C/COCCOCCCC 34a_100016270725_100000743108 [0,2,0,0,0,0|2,0,0]=4 7513 B11R0.3 C/C=C/COCCOCCCC 7a_100000210238_100102629194 [0,2,0,0,0,0|2,0,0]=4 7514 B11R0.3 C/C=C/COCCSCCCC 34a_200000230436_100102629194 [0,2,0,0,0,0|2,0,0]=4 7515 B11R0.3 C/C=C/COCCSCCCC 7a_200000230436_100102629194 [0,2,0,0,0,0|2,0,0]=4 7516 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [0,2,0,0,0,0|1,0,1]=4 7517 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [0,2,0,0,0,0|1,0,1]=4 7518 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,2,0,0,0,0|2,0,0]=4 7519 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,2,0,0,0,0|2,0,0]=4 7520 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [0,2,0,0,0,0|2,0,0]=4 7521 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [0,2,0,0,0,0|2,0,0]=4 7522 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [0,2,0,0,0,0|2,0,0]=4 7523 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [0,2,0,0,0,0|2,0,0]=4 7524 B11R0.3 C/C=C/CSCCOCCCC 62a_100000743108_100102629194 [0,2,0,0,0,0|2,0,0]=4 7525 B11R0.3 C/C=C/CSCCOCCCC 62a_100102629194_100000743108 [0,2,0,0,0,0|2,0,0]=4 7526 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [0,2,0,0,0,0|2,0,0]=4 7527 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [0,2,0,0,0,0|2,0,0]=4 7528 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [0,2,0,0,0,0|2,0,0]=4 7529 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,2,0,0,0,0|2,0,0]=4 7530 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,2,0,0,0,0|2,0,0]=4 7531 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,2,0,0,0,0|2,0,0]=4 7532 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,2,0,0,0,0|2,0,0]=4 7533 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,2,0,0,0,0|2,0,0]=4 7534 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,2,0,0,0,0|2,0,0]=4 7535 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,2,0,0,0,0|2,0,0]=4 7536 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,2,0,0,0,0|2,0,0]=4 7537 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,2,0,0,0,0|2,0,0]=4 7538 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,2,0,0,0,0|1,0,1]=4 7539 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,2,0,0,0,0|2,0,0]=4 7540 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,2,0,0,0,0|2,0,0]=4 7541 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,2,0,0,0,0|2,0,0]=4 7542 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [0,2,0,0,0,0|2,0,0]=4 7543 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [0,2,0,0,0,0|2,0,0]=4 7544 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,2,0,0,0,0|2,0,0]=4 7545 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,2,0,0,0,0|2,0,0]=4 7546 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [0,2,0,0,0,0|2,0,0]=4 7547 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [0,2,0,0,0,0|2,0,0]=4 7548 B11R0.3 C=CCCCCCCNCC=C 2230a_100020586998_100011215473 [0,2,0,0,0,0|1,0,1]=4 7549 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [0,2,0,0,0,0|2,0,0]=4 7550 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,2,0,0,0,0|2,0,0]=4 7551 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,2,0,0,0,0|2,0,0]=4 7552 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [0,2,0,0,0,0|1,0,1]=4 7553 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [0,2,0,0,0,0|1,0,1]=4 7554 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [0,2,0,0,0,0|2,0,0]=4 7555 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,2,0,0,0,0|2,0,0]=4 7556 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,2,0,0,0,0|2,0,0]=4 7557 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,2,0,0,0,0|2,0,0]=4 7558 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [0,2,0,0,0,0|2,0,0]=4 7559 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [0,2,0,0,0,0|2,0,0]=4 7560 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [0,2,0,0,0,0|2,0,0]=4 7561 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,2,0,0,0,0|2,0,0]=4 7562 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,2,0,0,0,0|2,0,0]=4 7563 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [0,2,0,0,0,0|2,0,0]=4 7564 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [0,2,0,0,0,0|1,0,1]=4 7565 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [0,2,0,0,0,0|1,0,1]=4 7566 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,2,0,0,0,0|2,0,0]=4 7567 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,2,0,0,0,0|2,0,0]=4 7568 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [0,2,0,0,0,0|2,0,0]=4 7569 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [0,2,0,0,0,0|2,0,0]=4 7570 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,2,0,0,0,0|2,0,0]=4 7571 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,2,0,0,0,0|2,0,0]=4 7572 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [0,2,0,0,0,0|2,0,0]=4 7573 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [0,2,0,0,0,0|2,0,0]=4 7574 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [0,2,0,0,0,0|2,0,0]=4 7575 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [0,2,0,0,0,0|2,0,0]=4 7576 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [0,2,0,0,0,0|2,0,0]=4 7577 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [0,2,0,0,0,0|2,0,0]=4 7578 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [0,2,0,0,0,0|2,0,0]=4 7579 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [0,2,0,0,0,0|2,0,0]=4 7580 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,2,0,0,0,0|2,0,0]=4 7581 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,2,0,0,0,0|2,0,0]=4 7582 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [0,2,0,0,0,0|2,0,0]=4 7583 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,2,0,0,0,0|2,0,0]=4 7584 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,2,0,0,0,0|2,0,0]=4 7585 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,2,0,0,0,0|2,0,0]=4 7586 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,2,0,0,0,0|2,0,0]=4 7587 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [0,2,0,0,0,0|2,0,0]=4 7588 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [0,2,0,0,0,0|2,0,0]=4 7589 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [0,2,0,0,0,0|2,0,0]=4 7590 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [0,2,0,0,0,0|2,0,0]=4 7591 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [0,2,0,0,0,0|2,0,0]=4 7592 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,2,0,0,0,0|2,0,0]=4 7593 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,2,0,0,0,0|2,0,0]=4 7594 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,2,0,0,0,0|2,0,0]=4 7595 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,2,0,0,0,0|2,0,0]=4 7596 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,2,0,0,0,0|2,0,0]=4 7597 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,2,0,0,0,0|2,0,0]=4 7598 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,2,0,0,0,0|2,0,0]=4 7599 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,2,0,0,0,0|2,0,0]=4 7600 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,2,0,0,0,0|2,0,0]=4 7601 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [0,2,0,0,0,0|2,0,0]=4 7602 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [0,2,0,0,0,0|2,0,0]=4 7603 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [0,2,0,0,0,0|2,0,0]=4 7604 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [0,2,0,0,0,0|2,0,0]=4 7605 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,2,0,0,0,0|2,0,0]=4 7606 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,2,0,0,0,0|2,0,0]=4 7607 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,2,0,0,0,0|2,0,0]=4 7608 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,2,0,0,0,0|2,0,0]=4 7609 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,2,0,0,0,0|2,0,0]=4 7610 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,2,0,0,0,0|2,0,0]=4 7611 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [0,2,0,0,0,0|2,0,0]=4 7612 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [0,2,0,0,0,0|2,0,0]=4 7613 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [0,2,0,0,0,0|1,0,1]=4 7614 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [0,2,0,0,0,0|2,0,0]=4 7615 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [0,2,0,0,0,0|2,0,0]=4 7616 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [0,2,0,0,0,0|2,0,0]=4 7617 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [0,2,0,0,0,0|2,0,0]=4 7618 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [0,2,0,0,0,0|2,0,0]=4 7619 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [0,2,0,0,0,0|2,0,0]=4 7620 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [0,2,0,0,0,0|2,0,0]=4 7621 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [0,2,0,0,0,0|2,0,0]=4 7622 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [0,2,0,0,0,0|2,0,0]=4 7623 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [0,2,0,0,0,0|2,0,0]=4 7624 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [0,2,0,0,0,0|2,0,0]=4 7625 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [0,2,0,0,0,0|2,0,0]=4 7626 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,2,0,0,0,0|2,0,0]=4 7627 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [0,2,0,0,0,0|2,0,0]=4 7628 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [0,2,0,0,0,0|2,0,0]=4 7629 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [0,2,0,0,0,0|2,0,0]=4 7630 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [0,2,0,0,0,0|2,0,0]=4 7631 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [0,2,0,0,0,0|2,0,0]=4 7632 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [0,2,0,0,0,0|2,0,0]=4 7633 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [0,2,0,0,0,0|2,0,0]=4 7634 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [0,2,0,0,0,0|1,0,1]=4 7635 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [0,2,0,0,0,0|2,0,0]=4 7636 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [0,2,0,0,0,0|2,0,0]=4 7637 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [0,2,0,0,0,0|2,0,0]=4 7638 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [0,2,0,0,0,0|2,0,0]=4 7639 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [0,2,0,0,0,0|2,0,0]=4 7640 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [0,2,0,0,0,0|2,0,0]=4 7641 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [0,2,0,0,0,0|2,0,0]=4 7642 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [0,2,0,0,0,0|2,0,0]=4 7643 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [0,2,0,0,0,0|2,0,0]=4 7644 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [0,2,0,0,0,0|2,0,0]=4 7645 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [0,2,0,0,0,0|2,0,0]=4 7646 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [0,2,0,0,0,0|2,0,0]=4 7647 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [0,2,0,0,0,0|2,0,0]=4 7648 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [0,2,0,0,0,0|2,0,0]=4 7649 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [0,2,0,0,0,0|2,0,0]=4 7650 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [0,2,0,0,0,0|2,0,0]=4 7651 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [0,2,0,0,0,0|2,0,0]=4 7652 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [0,2,0,0,0,0|2,0,0]=4 7653 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [0,2,0,0,0,0|2,0,0]=4 7654 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,2,0,0,0,0|2,0,0]=4 7655 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,2,0,0,0,0|2,0,0]=4 7656 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [0,2,0,0,0,0|2,0,0]=4 7657 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [0,2,0,0,0,0|2,0,0]=4 7658 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [0,2,0,0,0,0|2,0,0]=4 7659 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [0,2,0,0,0,0|2,0,0]=4 7660 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [0,2,0,0,0,0|2,0,0]=4 7661 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [0,2,0,0,0,0|2,0,0]=4 7662 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [0,2,0,0,0,0|2,0,0]=4 7663 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [0,2,0,0,0,0|2,0,0]=4 7664 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [0,2,0,0,0,0|1,0,1]=4 7665 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [0,2,0,0,0,0|1,0,1]=4 7666 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [0,2,0,0,0,0|2,0,0]=4 7667 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [0,2,0,0,0,0|2,0,0]=4 7668 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [0,2,0,0,0,0|2,0,0]=4 7669 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [0,2,0,0,0,0|2,0,0]=4 7670 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [0,2,0,0,0,0|2,0,0]=4 7671 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [0,2,0,0,0,0|2,0,0]=4 7672 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [0,2,0,0,0,0|2,0,0]=4 7673 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [0,2,0,0,0,0|2,0,0]=4 7674 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [0,2,0,0,0,0|2,0,0]=4 7675 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [0,2,0,0,0,0|2,0,0]=4 7676 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [0,2,0,0,0,0|2,0,0]=4 7677 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [0,2,0,0,0,0|2,0,0]=4 7678 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [0,2,0,0,0,0|1,0,1]=4 7679 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [0,2,0,0,0,0|2,0,0]=4 7680 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [0,2,0,0,0,0|2,0,0]=4 7681 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [0,2,0,0,0,0|2,0,0]=4 7682 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [0,2,0,0,0,0|2,0,0]=4 7683 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [0,2,0,0,0,0|2,0,0]=4 7684 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,2,0,0,0,0|2,0,0]=4 7685 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,2,0,0,0,0|2,0,0]=4 7686 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,2,0,0,0,0|2,0,0]=4 7687 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,2,0,0,0,0|2,0,0]=4 7688 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [0,2,0,0,0,0|2,0,0]=4 7689 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [0,2,0,0,0,0|2,0,0]=4 7690 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [0,2,0,0,0,0|2,0,0]=4 7691 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [0,2,0,0,0,0|2,0,0]=4 7692 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [0,2,0,0,0,0|2,0,0]=4 7693 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [0,2,0,0,0,0|2,0,0]=4 7694 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [0,2,0,0,0,0|2,0,0]=4 7695 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [0,2,0,0,0,0|2,0,0]=4 7696 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [0,2,0,0,0,0|2,0,0]=4 7697 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [0,2,0,0,0,0|2,0,0]=4 7698 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [0,2,0,0,0,0|2,0,0]=4 7699 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [0,2,0,0,0,0|2,0,0]=4 7700 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [0,2,0,0,0,0|2,0,0]=4 7701 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [0,2,0,0,0,0|1,0,1]=4 7702 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [0,2,0,0,0,0|2,0,0]=4 7703 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [0,2,0,0,0,0|2,0,0]=4 7704 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [0,2,0,0,0,0|2,0,0]=4 7705 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [0,2,0,0,0,0|2,0,0]=4 7706 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [0,2,0,0,0,0|2,0,0]=4 7707 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [0,2,0,0,0,0|2,0,0]=4 7708 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [0,2,0,0,0,0|2,0,0]=4 7709 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [0,2,0,0,0,0|2,0,0]=4 7710 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [0,2,0,0,0,0|2,0,0]=4 7711 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [0,2,0,0,0,0|2,0,0]=4 7712 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [0,2,0,0,0,0|2,0,0]=4 7713 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [0,2,0,0,0,0|2,0,0]=4 7714 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [0,2,0,0,0,0|2,0,0]=4 7715 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,2,0,0,0,0|2,0,0]=4 7716 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,2,0,0,0,0|2,0,0]=4 7717 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [0,2,0,0,0,0|2,0,0]=4 7718 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [0,2,0,0,0,0|2,0,0]=4 7719 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [0,2,0,0,0,0|2,0,0]=4 7720 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,2,0,0,0,0|2,0,0]=4 7721 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,2,0,0,0,0|2,0,0]=4 7722 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [0,2,0,0,0,0|2,0,0]=4 7723 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [0,2,0,0,0,0|2,0,0]=4 7724 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [0,2,0,0,0,0|2,0,0]=4 7725 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [0,2,0,0,0,0|2,0,0]=4 7726 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [0,2,0,0,0,0|2,0,0]=4 7727 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [0,2,0,0,0,0|2,0,0]=4 7728 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,2,0,0,0,0|2,0,0]=4 7729 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,2,0,0,0,0|2,0,0]=4 7730 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,2,0,0,0,0|2,0,0]=4 7731 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,2,0,0,0,0|2,0,0]=4 7732 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [0,2,0,0,0,0|2,0,0]=4 7733 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [0,2,0,0,0,0|2,0,0]=4 7734 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [0,2,0,0,0,0|2,0,0]=4 7735 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [0,2,0,0,0,0|1,0,1]=4 7736 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [0,2,0,0,0,0|1,0,1]=4 7737 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [0,2,0,0,0,0|2,0,0]=4 7738 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [0,2,0,0,0,0|2,0,0]=4 7739 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [0,2,0,0,0,0|2,0,0]=4 7740 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [0,2,0,0,0,0|2,0,0]=4 7741 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,2,0,0,0,0|2,0,0]=4 7742 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,2,0,0,0,0|2,0,0]=4 7743 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [0,2,0,0,0,0|2,0,0]=4 7744 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [0,2,0,0,0,0|2,0,0]=4 7745 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [0,2,0,0,0,0|2,0,0]=4 7746 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [0,2,0,0,0,0|2,0,0]=4 7747 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [0,2,0,0,0,0|2,0,0]=4 7748 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [0,2,0,0,0,0|2,0,0]=4 7749 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [0,2,0,0,0,0|2,0,0]=4 7750 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [0,2,0,0,0,0|2,0,0]=4 7751 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [0,2,0,0,0,0|1,0,1]=4 7752 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,2,0,0,0,0|1,0,0]=3 7753 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,2,0,0,0,0|1,0,0]=3 7754 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [0,2,0,0,0,0|2,0,0]=4 7755 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [0,2,0,0,0,0|2,0,0]=4 7756 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [0,2,0,0,0,0|2,0,0]=4 7757 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [0,2,0,0,0,0|2,0,0]=4 7758 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [0,2,0,0,0,0|2,0,0]=4 7759 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [0,2,0,0,0,0|2,0,0]=4 7760 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [0,2,0,0,0,0|2,0,0]=4 7761 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [0,2,0,0,0,0|2,0,0]=4 7762 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,2,0,0,0,0|2,0,0]=4 7763 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [0,2,0,0,0,0|2,0,0]=4 7764 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [0,2,0,0,0,0|2,0,0]=4 7765 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [0,2,0,0,0,0|2,0,0]=4 7766 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,2,0,0,0,0|2,0,0]=4 7767 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,2,0,0,0,0|2,0,0]=4 7768 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,2,0,0,0,0|2,0,0]=4 7769 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [0,2,0,0,0,0|2,0,0]=4 7770 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [0,2,0,0,0,0|2,0,0]=4 7771 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [0,2,0,0,0,0|2,0,0]=4 7772 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [0,2,0,0,0,0|2,0,0]=4 7773 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [0,2,0,0,0,0|2,0,0]=4 7774 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [0,2,0,0,0,0|2,0,0]=4 7775 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,2,0,0,0,0|2,0,0]=4 7776 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,2,0,0,0,0|2,0,0]=4 7777 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,2,0,0,0,0|2,0,0]=4 7778 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,2,0,0,0,0|2,0,0]=4 7779 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,2,0,0,0,0|2,0,0]=4 7780 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,2,0,0,0,0|2,0,0]=4 7781 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,2,0,0,0,0|2,0,0]=4 7782 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [0,2,0,0,0,0|1,0,1]=4 7783 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [0,2,0,0,0,0|1,0,1]=4 7784 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,2,0,0,0,0|2,0,0]=4 7785 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,2,0,0,0,0|2,0,0]=4 7786 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [0,2,0,0,0,0|2,0,0]=4 7787 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [0,2,0,0,0,0|2,0,0]=4 7788 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [0,2,0,0,0,0|2,0,0]=4 7789 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [0,2,0,0,0,0|2,0,0]=4 7790 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,2,0,0,0,0|2,0,0]=4 7791 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,2,0,0,0,0|2,0,0]=4 7792 B11R0.3 C=CCNCC#CCCCCC 2230a_100020586998_100009816472 [0,2,0,0,0,0|1,0,1]=4 7793 B11R0.3 C=CCNCCCCCCC#N 2230a_100020586998_100009813337 [0,2,0,0,0,0|1,0,1]=4 7794 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,2,0,0,0,0|1,0,0]=3 7795 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,2,0,0,0,0|1,0,0]=3 7796 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,2,0,0,0,0|1,0,0]=3 7797 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [0,2,0,0,0,0|1,0,0]=3 7798 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [0,2,0,0,0,0|1,0,0]=3 7799 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [0,2,0,0,0,0|1,0,0]=3 7800 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [0,2,0,0,0,0|1,0,0]=3 7801 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [0,2,0,0,0,0|1,0,0]=3 7802 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [0,2,0,0,0,0|1,0,0]=3 7803 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [0,2,0,0,0,0|2,0,0]=4 7804 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [0,2,0,0,0,0|2,0,0]=4 7805 B11R0.3 C=CCNCCCOCCOC 2230a_100000206027_100000210623 [0,2,0,0,0,0|2,0,0]=4 7806 B11R0.3 C=CCNCCCOCCOC 2230a_100020586998_100011216529 [0,2,0,0,0,0|2,0,0]=4 7807 B11R0.3 C=CCNCCCOCCOC 34a_100000206027_100015514636 [0,2,0,0,0,0|2,0,0]=4 7808 B11R0.3 C=CCNCCOCCOCC 2230a_100020586998_100011211534 [0,2,0,0,0,0|2,0,0]=4 7809 B11R0.3 C=CCNCCOCCOCC 2230a_100102712874_100000210623 [0,2,0,0,0,0|2,0,0]=4 7810 B11R0.3 C=CCNCCOCCOCC 34a_100102712874_100015514636 [0,2,0,0,0,0|2,0,0]=4 7811 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [0,2,0,0,0,0|2,0,0]=4 7812 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [0,2,0,0,0,0|2,0,0]=4 7813 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,2,0,0,0,0|2,0,0]=4 7814 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,2,0,0,0,0|2,0,0]=4 7815 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,2,0,0,0,0|2,0,0]=4 7816 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [0,2,0,0,0,0|2,0,0]=4 7817 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [0,2,0,0,0,0|2,0,0]=4 7818 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [0,2,0,0,0,0|2,0,0]=4 7819 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [0,2,0,0,0,0|2,0,0]=4 7820 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [0,2,0,0,0,0|2,0,0]=4 7821 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,2,0,0,0,0|2,0,0]=4 7822 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,2,0,0,0,0|2,0,0]=4 7823 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,2,0,0,0,0|2,0,0]=4 7824 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,2,0,0,0,0|2,0,0]=4 7825 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,2,0,0,0,0|2,0,0]=4 7826 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,2,0,0,0,0|2,0,0]=4 7827 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,2,0,0,0,0|2,0,0]=4 7828 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,2,0,0,0,0|2,0,0]=4 7829 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,2,0,0,0,0|2,0,0]=4 7830 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [0,2,0,0,0,0|2,0,0]=4 7831 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [0,2,0,0,0,0|2,0,0]=4 7832 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [0,2,0,0,0,0|2,0,0]=4 7833 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [0,2,0,0,0,0|2,0,0]=4 7834 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [0,2,0,0,0,0|2,0,0]=4 7835 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [0,2,0,0,0,0|2,0,0]=4 7836 B11R0.3 C=COCCCCOCCCF 34a_100000031558_100011934791 [0,2,0,0,0,0|2,0,0]=4 7837 B11R0.3 C=COCCCCOCCCF 7a_100000031558_100011934791 [0,2,0,0,0,0|2,0,0]=4 7838 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [0,2,0,0,0,0|2,0,0]=4 7839 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [0,2,0,0,0,0|2,0,0]=4 7840 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [0,2,0,0,0,0|2,0,0]=4 7841 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [0,2,0,0,0,0|2,0,0]=4 7842 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [0,2,0,0,0,0|2,0,0]=4 7843 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [0,2,0,0,0,0|2,0,0]=4 7844 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,2,0,0,0,0|2,0,0]=4 7845 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,2,0,0,0,0|2,0,0]=4 7846 B11R0.3 C=COCCCNCCCCF 2230a_100000210767_100000729493 [0,2,0,0,0,0|2,0,0]=4 7847 B11R0.3 C=COCCCNCCCCF 34a_100000210767_100000729493 [0,2,0,0,0,0|2,0,0]=4 7848 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [0,2,0,0,0,0|2,0,0]=4 7849 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [0,2,0,0,0,0|2,0,0]=4 7850 B11R0.3 C=COCCCNCCCOC 2230a_100000210767_100000740836 [0,2,0,0,0,0|2,0,0]=4 7851 B11R0.3 C=COCCCNCCCOC 34a_100000210767_100000740836 [0,2,0,0,0,0|2,0,0]=4 7852 B11R0.3 C=COCCCNCCOCC 2230a_100000210767_100011215890 [0,2,0,0,0,0|2,0,0]=4 7853 B11R0.3 C=COCCCNCCOCC 34a_100000210767_100000210147 [0,2,0,0,0,0|2,0,0]=4 7854 B11R0.3 C=COCCCNCCSCC 2230a_100000210767_100000757381 [0,2,0,0,0,0|2,0,0]=4 7855 B11R0.3 C=COCCCNCCSCC 34a_100000210767_100000757381 [0,2,0,0,0,0|2,0,0]=4 7856 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [0,2,0,0,0,0|2,0,0]=4 7857 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [0,2,0,0,0,0|2,0,0]=4 7858 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [0,2,0,0,0,0|2,0,0]=4 7859 B11R0.3 C=COCCNCCCOCC 2230a_100000210961_100000039644 [0,2,0,0,0,0|2,0,0]=4 7860 B11R0.3 C=COCCNCCCOCC 34a_100000210961_100000039644 [0,2,0,0,0,0|2,0,0]=4 7861 B11R0.3 C=COCCNCCOCCC 2230a_100161115042_100000039644 [0,2,0,0,0,0|2,0,0]=4 7862 B11R0.3 C=COCCNCCOCCC 34a_100161115042_100000039644 [0,2,0,0,0,0|2,0,0]=4 7863 B11R0.3 C=COCCNCCSCCC 2230a_100020603323_100000039644 [0,2,0,0,0,0|2,0,0]=4 7864 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [0,2,0,0,0,0|2,0,0]=4 7865 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [0,2,0,0,0,0|2,0,0]=4 7866 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,2,0,0,0,0|2,0,0]=4 7867 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,2,0,0,0,0|2,0,0]=4 7868 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,2,0,0,0,0|2,0,0]=4 7869 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [0,2,0,0,0,0|2,0,0]=4 7870 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [0,2,0,0,0,0|2,0,0]=4 7871 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [0,2,0,0,0,0|2,0,0]=4 7872 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [0,2,0,0,0,0|2,0,0]=4 7873 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [0,2,0,0,0,0|2,0,0]=4 7874 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [0,2,0,0,0,0|2,0,0]=4 7875 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,2,0,0,0,0|2,0,0]=4 7876 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [0,2,0,0,0,0|2,0,0]=4 7877 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [0,2,0,0,0,0|2,0,0]=4 7878 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [0,2,0,0,0,0|2,0,0]=4 7879 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [0,2,0,0,0,0|2,0,0]=4 7880 B11R0.3 C=COCCOCCCOCC 34a_100000033082_100012232248 [0,2,0,0,0,0|2,0,0]=4 7881 B11R0.3 C=COCCOCCCOCC 34a_100000757476_100000039644 [0,2,0,0,0,0|2,0,0]=4 7882 B11R0.3 C=COCCOCCCOCC 7a_100000757476_100000039644 [0,2,0,0,0,0|2,0,0]=4 7883 B11R0.3 C=COCCOCCCSCC 34a_100011216438_100000039644 [0,2,0,0,0,0|2,0,0]=4 7884 B11R0.3 C=COCCOCCCSCC 7a_100011216438_100000039644 [0,2,0,0,0,0|2,0,0]=4 7885 B11R0.3 C=COCCOCCOCCC 34a_100000033082_100011215938 [0,2,0,0,0,0|2,0,0]=4 7886 B11R0.3 C=COCCOCCOCCC 34a_100000039918_100000210303 [0,2,0,0,0,0|2,0,0]=4 7887 B11R0.3 C=COCCOCCOCCC 34a_100000752267_100000039644 [0,2,0,0,0,0|2,0,0]=4 7888 B11R0.3 C=COCCOCCOCCC 7a_100000039918_100000210303 [0,2,0,0,0,0|2,0,0]=4 7889 B11R0.3 C=COCCOCCOCCC 7a_100000752267_100000039644 [0,2,0,0,0,0|2,0,0]=4 7890 B11R0.3 C=COCCOCCSCCC 34a_200000230433_100000039644 [0,2,0,0,0,0|2,0,0]=4 7891 B11R0.3 C=COCCOCCSCCC 7a_200000230433_100000039644 [0,2,0,0,0,0|2,0,0]=4 7892 B11R0.3 C=COCCOCOCCCC 34a_100000033082_100011995733 [0,2,0,0,0,0|2,0,0]=4 7893 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [0,2,0,0,0,0|2,0,0]=4 7894 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [0,2,0,0,0,0|2,0,0]=4 7895 B11R0.3 C=COCCSCCCCCF 62a_100000039644_100000729378 [0,2,0,0,0,0|2,0,0]=4 7896 B11R0.3 C=COCCSCCCCCF 62a_100000729378_100000039644 [0,2,0,0,0,0|2,0,0]=4 7897 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [0,2,0,0,0,0|2,0,0]=4 7898 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [0,2,0,0,0,0|2,0,0]=4 7899 B11R0.3 C=COCCSCCCCOC 62a_100000039644_100000730899 [0,2,0,0,0,0|2,0,0]=4 7900 B11R0.3 C=COCCSCCCCOC 62a_100000730899_100000039644 [0,2,0,0,0,0|2,0,0]=4 7901 B11R0.3 C=COCCSCCCOCC 62a_100000039644_100012232248 [0,2,0,0,0,0|2,0,0]=4 7902 B11R0.3 C=COCCSCCCOCC 62a_100012232248_100000039644 [0,2,0,0,0,0|2,0,0]=4 7903 B11R0.3 C=COCCSCCOCCC 62a_100000039644_100011215938 [0,2,0,0,0,0|2,0,0]=4 7904 B11R0.3 C=COCCSCCOCCC 62a_100011215938_100000039644 [0,2,0,0,0,0|2,0,0]=4 7905 B11R0.3 C=COCCSCOCCCC 62a_100000039644_100011995733 [0,2,0,0,0,0|2,0,0]=4 7906 B11R0.3 C=COCCSCOCCCC 62a_100011995733_100000039644 [0,2,0,0,0,0|2,0,0]=4 7907 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [0,2,0,0,0,0|1,0,1]=4 7908 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [0,2,0,0,0,0|1,0,1]=4 7909 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [0,2,0,0,0,0|1,0,1]=4 7910 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [0,2,0,0,0,0|1,0,1]=4 7911 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [0,2,0,0,0,0|1,0,1]=4 7912 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [0,2,0,0,0,0|1,0,1]=4 7913 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,2,0,0,0,0|2,0,0]=4 7914 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,2,0,0,0,0|2,0,0]=4 7915 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,2,0,0,0,0|1,0,1]=4 7916 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,2,0,0,0,0|2,0,0]=4 7917 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,2,0,0,0,0|2,0,0]=4 7918 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [0,2,0,0,0,0|1,0,1]=4 7919 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [0,2,0,0,0,0|1,0,1]=4 7920 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,2,0,0,0,0|2,0,0]=4 7921 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,2,0,0,0,0|2,0,0]=4 7922 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,2,0,0,0,0|2,0,0]=4 7923 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [0,2,0,0,0,0|1,0,1]=4 7924 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,2,0,0,0,0|2,0,0]=4 7925 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,2,0,0,0,0|2,0,0]=4 7926 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,2,0,0,0,0|2,0,0]=4 7927 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,2,0,0,0,0|2,0,0]=4 7928 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [0,2,0,0,0,0|1,0,1]=4 7929 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [0,2,0,0,0,0|1,0,1]=4 7930 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,2,0,0,0,0|2,0,0]=4 7931 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,2,0,0,0,0|2,0,0]=4 7932 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,2,0,0,0,0|2,0,0]=4 7933 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,2,0,0,0,0|2,0,0]=4 7934 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,2,0,0,0,0|2,0,0]=4 7935 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,2,0,0,0,0|2,0,0]=4 7936 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [0,2,0,0,0,0|1,0,1]=4 7937 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [0,2,0,0,0,0|1,0,1]=4 7938 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,2,0,0,0,0|2,0,0]=4 7939 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,2,0,0,0,0|2,0,0]=4 7940 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [0,2,0,0,0,0|2,0,0]=4 7941 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [0,2,0,0,0,0|2,0,0]=4 7942 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [0,2,0,0,0,0|2,0,0]=4 7943 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [0,2,0,0,0,0|2,0,0]=4 7944 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [0,2,0,0,0,0|2,0,0]=4 7945 B11R0.3 CC=CCCCOCCOCC 34a_100020645299_100000210147 [0,2,0,0,0,0|2,0,0]=4 7946 B11R0.3 CC=CCCCOCCSCC 34a_100020645299_100000757381 [0,2,0,0,0,0|2,0,0]=4 7947 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,2,0,0,0,0|1,0,0]=3 7948 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [0,2,0,0,0,0|2,0,0]=4 7949 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [0,2,0,0,0,0|2,0,0]=4 7950 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [0,2,0,0,0,0|2,0,0]=4 7951 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [0,2,0,0,0,0|2,0,0]=4 7952 B11R0.3 CC=CCNCCCOCCC 2230a_100011217757_100000070051 [0,2,0,0,0,0|2,0,0]=4 7953 B11R0.3 CC=CCNCCCOCCC 34a_100011217757_100000070051 [0,2,0,0,0,0|2,0,0]=4 7954 B11R0.3 CC=CCNCCSCCCC 2230a_100025743550_100000070051 [0,2,0,0,0,0|2,0,0]=4 7955 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [0,2,0,0,0,0|2,0,0]=4 7956 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [0,2,0,0,0,0|2,0,0]=4 7957 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,2,0,0,0,0|2,0,0]=4 7958 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,2,0,0,0,0|2,0,0]=4 7959 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [0,2,0,0,0,0|2,0,0]=4 7960 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [0,2,0,0,0,0|2,0,0]=4 7961 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [0,2,0,0,0,0|2,0,0]=4 7962 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [0,2,0,0,0,0|2,0,0]=4 7963 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [0,2,0,0,0,0|2,0,0]=4 7964 B11R0.3 CC=CCOCCCCCNC 34a_100000722520_100000070051 [0,2,0,0,0,0|2,0,0]=4 7965 B11R0.3 CC=CCOCCOCCCC 34a_100000210238_100000070051 [0,2,0,0,0,0|2,0,0]=4 7966 B11R0.3 CC=CCOCCOCCCC 7a_100000210238_100000070051 [0,2,0,0,0,0|2,0,0]=4 7967 B11R0.3 CC=CCOCCSCCCC 34a_200000230436_100000070051 [0,2,0,0,0,0|2,0,0]=4 7968 B11R0.3 CC=CCOCCSCCCC 7a_200000230436_100000070051 [0,2,0,0,0,0|2,0,0]=4 7969 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [0,2,0,0,0,0|1,0,1]=4 7970 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [0,2,0,0,0,0|1,0,1]=4 7971 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,2,0,0,0,0|2,0,0]=4 7972 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,2,0,0,0,0|2,0,0]=4 7973 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [0,2,0,0,0,0|2,0,0]=4 7974 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [0,2,0,0,0,0|2,0,0]=4 7975 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [0,2,0,0,0,0|2,0,0]=4 7976 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [0,2,0,0,0,0|2,0,0]=4 7977 B11R0.3 CC=CCSCCOCCCC 62a_100000070051_100000743108 [0,2,0,0,0,0|2,0,0]=4 7978 B11R0.3 CC=CCSCCOCCCC 62a_100000743108_100000070051 [0,2,0,0,0,0|2,0,0]=4 7979 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [0,2,0,0,0,0|1,0,1]=4 7980 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [0,2,0,0,0,0|1,0,1]=4 7981 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [0,2,0,0,0,0|1,0,1]=4 7982 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [0,2,0,0,0,0|1,0,1]=4 7983 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [0,2,0,0,0,0|1,0,1]=4 7984 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [0,2,0,0,0,0|1,0,1]=4 7985 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [0,2,0,0,0,0|1,0,1]=4 7986 B11R0.3 CCCCC#CCCCNCC 2230a_100015525214_200000047210 [0,2,0,0,0,0|1,0,1]=4 7987 B11R0.3 CCCCC#CCCOCC=O 34a_100000037610_200009817547 [0,2,0,0,0,0|1,0,1]=4 7988 B11R0.3 CCCCC#CCCOCC=O 7a_100000037610_200015260668 [0,2,0,0,0,0|1,0,1]=4 7989 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [0,2,0,0,0,0|1,0,1]=4 7990 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [0,2,0,0,0,0|1,0,1]=4 7991 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [0,2,0,0,0,0|1,0,1]=4 7992 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [0,2,0,0,0,0|1,0,1]=4 7993 B11R0.3 CCCCCC#CCSCC=O 62a_100009816472_200015260668 [0,2,0,0,0,0|1,0,1]=4 7994 B11R0.3 CCCCCC#CCSCC=O 62a_200015260668_100009816472 [0,2,0,0,0,0|1,0,1]=4 7995 B11R0.3 CCCCCCCC=NNCC 4a_100000756455_100000210592 [0,2,0,0,0,0|1,0,1]=4 7996 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [0,2,0,0,0,0|1,0,1]=4 7997 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [0,2,0,0,0,0|1,0,1]=4 7998 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [0,2,0,0,0,0|1,0,1]=4 7999 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [0,2,0,0,0,0|1,0,1]=4 8000 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [0,2,0,0,0,0|1,0,1]=4 8001 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,2,0,0,0,0|0,0,0]=2 8002 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,2,0,0,0,0|0,0,0]=2 8003 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [0,2,0,0,0,0|1,0,1]=4 8004 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [0,2,0,0,0,0|1,0,1]=4 8005 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [0,2,0,0,0,0|1,0,1]=4 8006 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [0,2,0,0,0,0|1,0,1]=4 8007 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [0,2,0,0,0,0|1,0,1]=4 8008 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,2,0,0,0,0|0,0,2]=4 8009 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,2,0,0,0,0|0,0,2]=4 8010 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,2,0,0,0,0|0,0,2]=4 8011 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,2,0,0,0,0|0,0,2]=4 8012 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,2,0,0,0,0|0,0,2]=4 8013 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,2,0,0,0,0|0,1,1]=4 8014 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,2,0,0,0,0|0,1,1]=4 8015 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,2,0,0,0,0|1,0,0]=3 8016 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,2,0,0,0,0|1,0,0]=3 8017 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,2,0,0,0,0|1,0,0]=3 8018 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,2,0,0,0,0|1,0,0]=3 8019 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [0,2,0,0,0,0|1,0,1]=4 8020 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,2,0,0,0,0|1,0,1]=4 8021 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,2,0,0,0,0|1,0,1]=4 8022 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,2,0,0,0,0|1,0,1]=4 8023 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [0,2,0,0,0,0|1,0,1]=4 8024 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [0,2,0,0,0,0|1,0,1]=4 8025 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [0,2,0,0,0,0|1,0,1]=4 8026 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,2,0,0,0,0|0,0,2]=4 8027 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,2,0,0,0,0|0,0,2]=4 8028 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,2,0,0,0,0|0,0,2]=4 8029 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,2,0,0,0,0|0,1,1]=4 8030 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,2,0,0,0,0|0,1,1]=4 8031 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,2,0,0,0,0|1,0,0]=3 8032 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,2,0,0,0,0|1,0,0]=3 8033 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,2,0,0,0,0|1,0,0]=3 8034 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,2,0,0,0,0|1,0,0]=3 8035 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,2,0,0,0,0|1,0,0]=3 8036 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,2,0,0,0,0|1,0,0]=3 8037 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,2,0,0,0,0|1,0,0]=3 8038 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,2,0,0,0,0|1,0,0]=3 8039 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,2,0,0,0,0|1,0,0]=3 8040 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,2,0,0,0,0|1,0,0]=3 8041 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,2,0,0,0,0|1,0,0]=3 8042 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,2,0,0,0,0|1,0,0]=3 8043 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,2,0,0,0,0|1,0,0]=3 8044 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,2,0,0,0,0|1,0,0]=3 8045 B11R0.3 CCCCOCCCNCC#N 2230a_200000211371_100011215382 [0,2,0,0,0,0|1,0,1]=4 8046 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,2,0,0,0,0|0,0,0]=2 8047 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,2,0,0,0,0|0,0,0]=2 8048 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [0,2,0,0,0,0|1,0,1]=4 8049 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [0,2,0,0,0,0|1,0,1]=4 8050 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [0,2,0,0,0,0|1,0,1]=4 8051 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [0,2,0,0,0,0|1,0,1]=4 8052 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,2,0,0,0,0|0,0,2]=4 8053 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,2,0,0,0,0|0,0,2]=4 8054 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [0,2,0,0,0,0|0,0,2]=4 8055 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [0,2,0,0,0,0|0,1,1]=4 8056 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [0,2,0,0,0,0|0,1,1]=4 8057 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,2,0,0,0,0|1,0,0]=3 8058 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,2,0,0,0,0|1,0,0]=3 8059 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,2,0,0,0,0|1,0,0]=3 8060 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,2,0,0,0,0|1,0,0]=3 8061 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,2,0,0,0,0|1,0,0]=3 8062 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,2,0,0,0,0|1,0,0]=3 8063 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,2,0,0,0,0|1,0,1]=4 8064 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,2,0,0,0,0|1,0,1]=4 8065 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,2,0,0,0,0|1,0,0]=3 8066 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,2,0,0,0,0|1,0,0]=3 8067 B11R0.3 CCCOCCOCCNCC 2230a_200011904461_100000210202 [0,2,0,0,0,0|1,0,1]=4 8068 B11R0.3 CCCOCCOCCNCC 34a_200011904461_100000210202 [0,2,0,0,0,0|1,0,1]=4 8069 B11R0.3 CCCOCCOCCNCF 34a_200011904461_100015361967 [0,2,0,0,0,0|1,0,1]=4 8070 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,2,0,0,0,0|1,0,0]=3 8071 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,2,0,0,0,0|1,0,0]=3 8072 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,2,0,0,0,0|1,0,0]=3 8073 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,2,0,0,0,0|1,0,0]=3 8074 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,2,0,0,0,0|1,0,1]=4 8075 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,2,0,0,0,0|1,0,1]=4 8076 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,2,0,0,0,0|1,0,1]=4 8077 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [0,2,0,0,0,0|1,0,1]=4 8078 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,2,0,0,0,0|1,0,0]=3 8079 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,2,0,0,0,0|1,0,0]=3 8080 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,2,0,0,0,0|1,0,0]=3 8081 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,2,0,0,0,0|1,0,0]=3 8082 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,2,0,0,0,0|1,0,0]=3 8083 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,2,0,0,0,0|1,0,0]=3 8084 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [0,2,0,0,0,0|1,0,0]=3 8085 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [0,2,0,0,0,0|1,0,0]=3 8086 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [0,2,0,0,0,0|2,0,0]=4 8087 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [0,2,0,0,0,0|2,0,0]=4 8088 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [0,2,0,0,0,0|2,0,0]=4 8089 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [0,2,0,0,0,0|2,0,0]=4 8090 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,2,0,0,0,0|1,0,0]=3 8091 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,2,0,0,0,0|1,0,0]=3 8092 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,2,0,0,0,0|1,0,0]=3 8093 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,2,0,0,0,0|1,0,0]=3 8094 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,2,0,0,0,0|1,0,0]=3 8095 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,2,0,0,0,0|1,0,0]=3 8096 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,2,0,0,0,0|1,0,0]=3 8097 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,2,0,0,0,0|1,0,0]=3 8098 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,2,0,0,0,0|1,0,0]=3 8099 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,2,0,0,0,0|1,0,1]=4 8100 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,2,0,0,0,0|0,0,2]=4 8101 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,2,0,0,0,0|0,0,2]=4 8102 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [0,2,0,0,0,0|1,0,0]=3 8103 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [0,2,0,0,0,0|1,0,0]=3 8104 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [0,2,0,0,0,0|1,0,0]=3 8105 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [0,2,0,0,0,0|1,0,0]=3 8106 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,2,0,0,0,0|1,0,0]=3 8107 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,2,0,0,0,0|1,0,0]=3 8108 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,2,0,0,0,0|1,0,0]=3 8109 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,2,0,0,0,0|1,0,0]=3 8110 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,2,0,0,0,0|1,0,0]=3 8111 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [0,2,0,0,0,0|1,0,0]=3 8112 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [0,2,0,0,0,0|1,0,0]=3 8113 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [0,2,0,0,0,0|2,0,0]=4 8114 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [0,2,0,0,0,0|2,0,0]=4 8115 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [0,2,0,0,0,0|2,0,0]=4 8116 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [0,2,0,0,0,0|2,0,0]=4 8117 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,2,0,0,0,0|1,0,0]=3 8118 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,2,0,0,0,0|1,0,0]=3 8119 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,2,0,0,0,0|0,0,2]=4 8120 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,2,0,0,0,0|1,0,0]=3 8121 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,2,0,0,0,0|1,0,0]=3 8122 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,2,0,0,0,0|1,0,0]=3 8123 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,2,0,0,0,0|1,0,0]=3 8124 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,2,0,0,0,0|1,0,0]=3 8125 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,2,0,0,0,0|1,0,0]=3 8126 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,2,0,0,0,0|1,0,0]=3 8127 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,2,0,0,0,0|0,1,1]=4 8128 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,2,0,0,0,0|0,1,1]=4 8129 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [0,2,0,0,0,0|1,0,1]=4 8130 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [0,2,0,0,0,0|1,0,1]=4 8131 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [0,2,0,0,0,0|1,0,1]=4 8132 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [0,2,0,0,0,0|1,0,1]=4 8133 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [0,2,0,0,0,0|1,0,1]=4 8134 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [0,2,0,0,0,0|1,0,1]=4 8135 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [0,2,0,0,0,0|1,0,1]=4 8136 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [0,2,0,0,0,0|1,0,1]=4 8137 B11R0.3 N#CCNCCCCCCCO 2230a_100011996573_100011215382 [0,2,0,0,0,0|1,0,1]=4 8138 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [0,2,0,0,0,0|1,0,0]=3 8139 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [0,2,0,0,0,0|2,0,0]=4 8140 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,2,0,0,0,0|1,0,0]=3 8141 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,2,0,0,0,0|1,0,0]=3 8142 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,2,0,0,0,0|1,0,0]=3 8143 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,2,0,0,0,0|1,0,0]=3 8144 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,2,0,0,0,0|1,0,0]=3 8145 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,2,0,0,0,0|1,0,0]=3 8146 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,2,0,0,0,0|1,0,0]=3 8147 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,2,0,0,0,0|1,0,0]=3 8148 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [0,2,0,0,0,0|1,0,1]=4 8149 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [0,2,0,0,0,0|1,0,1]=4 8150 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,2,0,0,0,0|1,0,0]=3 8151 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,2,0,0,0,0|1,0,0]=3 8152 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,2,0,0,0,0|1,0,0]=3 8153 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,2,0,0,0,0|1,0,0]=3 8154 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,2,0,0,0,0|1,0,0]=3 8155 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,2,0,0,0,0|2,0,0]=4 8156 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [0,2,0,0,0,0|2,0,0]=4 8157 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,2,0,0,0,0|1,0,0]=3 8158 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,2,0,0,0,0|1,0,0]=3 8159 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,2,0,0,0,0|1,0,0]=3 8160 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [0,2,0,0,0,0|2,0,0]=4 8161 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [0,2,0,0,0,0|2,0,0]=4 8162 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [0,2,0,0,0,0|2,0,0]=4 8163 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [0,2,0,0,0,0|2,0,0]=4 8164 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,2,0,0,0,0|1,0,0]=3 8165 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,2,0,0,0,0|1,0,0]=3 8166 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,2,0,0,0,0|1,0,0]=3 8167 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,2,0,0,0,0|1,0,0]=3 8168 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,2,0,0,0,0|2,0,0]=4 8169 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,2,0,0,0,0|2,0,0]=4 8170 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [0,2,0,0,0,0|0,0,0]=2 8171 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [0,2,0,0,0,0|0,0,0]=2 8172 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,2,0,0,0,0|1,0,0]=3 8173 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,2,0,0,0,0|1,0,0]=3 8174 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [0,2,0,0,0,0|1,0,0]=3 8175 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [0,2,0,0,0,0|1,0,0]=3 8176 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [0,2,0,0,0,0|1,0,0]=3 8177 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [0,2,0,0,0,0|1,0,0]=3 8178 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,2,0,0,0,0|1,0,1]=4 8179 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,2,0,0,0,0|1,0,1]=4 8180 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,2,0,0,0,0|1,0,1]=4 8181 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,2,0,0,0,0|1,0,1]=4 8182 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 8183 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,2,0,0,0,0|0,0,2]=4 8184 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 8185 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,2,0,0,0,0|0,0,2]=4 8186 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [0,2,0,0,0,0|2,0,0]=4 8187 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [0,2,0,0,0,0|2,0,0]=4 8188 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [0,2,0,0,0,0|2,0,0]=4 8189 B11R0.140 C/C=C/CSC(C)CCCCC 62a_100102629194_200011218191 [0,2,0,0,0,0|2,0,0]=4 8190 B11R0.140 C/C=C/CSC(C)CCCCC 62a_200011218191_100102629194 [0,2,0,0,0,0|2,0,0]=4 8191 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,2,0,0,0,0|2,0,0]=4 8192 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,2,0,0,0,0|2,0,0]=4 8193 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [0,2,0,0,0,0|2,0,0]=4 8194 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [0,2,0,0,0,0|2,0,0]=4 8195 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [0,2,0,0,0,0|2,0,0]=4 8196 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [0,2,0,0,0,0|2,0,0]=4 8197 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [0,2,0,0,0,0|2,0,0]=4 8198 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,2,0,0,0,0|2,0,0]=4 8199 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,2,0,0,0,0|2,0,0]=4 8200 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,2,0,0,0,0|2,0,0]=4 8201 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [0,2,0,0,0,0|2,0,0]=4 8202 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [0,2,0,0,0,0|2,0,0]=4 8203 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [0,2,0,0,0,0|1,0,1]=4 8204 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [0,2,0,0,0,0|2,0,0]=4 8205 B11R0.140 C=COCCN(C)CCCCC 2230a_100000223495_100000039644 [0,2,0,0,0,0|2,0,0]=4 8206 B11R0.140 C=COCCN(C)CCCCC 269982a_100000223495_100000039644 [0,2,0,0,0,0|2,0,0]=4 8207 B11R0.140 CC=CCNC(C)CCCCC 2230a_100000211957_100000070051 [0,2,0,0,0,0|2,0,0]=4 8208 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [0,2,0,0,0,0|2,0,0]=4 8209 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [0,2,0,0,0,0|2,0,0]=4 8210 B11R0.140 CC=CCSC(C)CCCCC 62a_100000070051_200011218191 [0,2,0,0,0,0|2,0,0]=4 8211 B11R0.140 CC=CCSC(C)CCCCC 62a_200011218191_100000070051 [0,2,0,0,0,0|2,0,0]=4 8212 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [0,2,0,0,0,0|1,0,1]=4 8213 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [0,2,0,0,0,0|1,0,1]=4 8214 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [0,2,0,0,0,0|1,0,0]=3 8215 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [0,2,0,0,0,0|1,0,0]=3 8216 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [0,2,0,0,0,0|2,0,0]=4 8217 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [0,2,0,0,0,0|2,0,0]=4 8218 B11R0.140 COCCCN(C)CCCC=O 2230a_100000224831_200011292268 [0,2,0,0,0,0|2,0,0]=4 8219 B11R0.140 COCCCN(C)CCCC=O 269982a_100000224831_200011292268 [0,2,0,0,0,0|2,0,0]=4 8220 B11R0.140 NCCCC[C@H](N)COCC=O 34a_100016993712_200009817547 [0,2,0,0,0,0|2,0,0]=4 8221 B11R0.49 CCC(C)(C)COCCCC=O 7a_100000765029_200011292268 [0,2,0,0,0,0|2,0,0]=4 8222 B11R0.49 CCC(C)(C)NCCCCC=O 2230a_100000211385_100000139335 [0,2,0,0,0,0|2,0,0]=4 8223 B11R0.49 CCC(C)(C)OCCCCC=O 7a_100000210230_100000139335 [0,2,0,0,0,0|2,0,0]=4 8224 B11R0.49 CCC(C)(C)SCCCCC=O 62a_100000032637_100000139335 [0,2,0,0,0,0|2,0,0]=4 8225 B11R0.49 CCC(C)(C)SCCCCC=O 62a_100000139335_100000032637 [0,2,0,0,0,0|2,0,0]=4 8226 B11R0.70 CCC(C)CCC(C)OCC=O 7a_200011216552_200015260668 [0,2,0,0,0,0|2,0,0]=4 8227 B11R0.124 C#CC(CC)OCCCCC=O 7a_100000758843_100000139335 [0,2,0,0,0,0|2,0,0]=4 8228 B11R0.124 C=CC(CC)OCCCCC=O 7a_100000766422_100000139335 [0,2,0,0,0,0|2,0,0]=4 8229 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,2,0,0,0,0|2,0,0]=4 8230 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,2,0,0,0,0|2,0,0]=4 8231 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,2,0,0,0,0|2,0,0]=4 8232 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,2,0,0,0,0|2,0,0]=4 8233 B11R0.124 CCC(CC)CNCCCC=O 2230a_100102946423_200011292268 [0,2,0,0,0,0|2,0,0]=4 8234 B11R0.124 CCC(CC)COCCCC=O 7a_100000703878_200011292268 [0,2,0,0,0,0|2,0,0]=4 8235 B11R0.124 CCC(CC)CSCCCC=O 62a_100011215472_200011292268 [0,2,0,0,0,0|2,0,0]=4 8236 B11R0.124 CCC(CC)CSCCCC=O 62a_200011292268_100011215472 [0,2,0,0,0,0|2,0,0]=4 8237 B11R0.124 CCC(CC)NCCCCC=O 2230a_100000199018_100000139335 [0,2,0,0,0,0|2,0,0]=4 8238 B11R0.124 CCC(CC)OCCCCC=O 7a_100000688536_100000139335 [0,2,0,0,0,0|2,0,0]=4 8239 B11R0.124 CCC(CC)SCCCCC=O 62a_100000139335_100000210505 [0,2,0,0,0,0|2,0,0]=4 8240 B11R0.124 CCC(CC)SCCCCC=O 62a_100000210505_100000139335 [0,2,0,0,0,0|2,0,0]=4 8241 B11R0.124 CCC(COCCCC=O)OC 7a_100011934954_200011292268 [0,2,0,0,0,0|2,0,0]=4 8242 B11R0.124 CCCCCCCN(CC)CC 2230a_100000228213_100000210202 [0,2,0,0,0,0|1,0,1]=4 8243 B11R0.124 CCCCCCCN(CC)CC 2230a_100000724800_100000210681 [0,2,0,0,0,0|1,0,1]=4 8244 B11R0.124 CCCCCCCN(CC)CC 269956a_100000042499_100000210614 [0,2,0,0,0,0|1,0,1]=4 8245 B11R0.124 CCCCCCCN(CC)CC 269982a_100000228213_100000204670 [0,2,0,0,0,0|1,0,1]=4 8246 B11R0.124 CCCCCCCN(CC)CC 269982a_100000724800_100000210681 [0,2,0,0,0,0|1,0,1]=4 8247 B11R0.124 CCCCCCCN(CC)CF 269982a_100000228213_100015361967 [0,2,0,0,0,0|1,0,1]=4 8248 B11R0.124 CCCCCCNC(C=O)C=O 2230a_100000210581_100000736813 [0,2,0,0,0,0|2,0,0]=4 8249 B11R0.124 CCCCCCOC(C=O)C=O 34a_100000210259_100000736813 [0,2,0,0,0,0|2,0,0]=4 8250 B11R0.124 CCCCCCSC(C=O)C=O 62a_100000210314_100000736813 [0,2,0,0,0,0|2,0,0]=4 8251 B11R0.124 CCCCCCSC(C=O)C=O 62a_100000736813_100000210757 [0,2,0,0,0,0|2,0,0]=4 8252 B11R0.124 CCN(CC)CCCCCC=O 2230a_100000724800_100000139337 [0,2,0,0,0,0|2,0,0]=4 8253 B11R0.124 CCN(CC)CCCCCC=O 269956a_100000042499_100000139337 [0,2,0,0,0,0|2,0,0]=4 8254 B11R0.124 CCN(CC)CCCCCC=O 269982a_100000724800_100000139337 [0,2,0,0,0,0|2,0,0]=4 8255 B11R0.124 CCOCCCCN(CC)N=O 34a_200000035056_100000210202 [0,2,0,0,0,0|2,0,0]=4 8256 B11R0.124 CC[C@@H](CO)NCCCCC=O 2230a_100000709445_100000139335 [0,2,0,0,0,0|2,0,0]=4 8257 B11R0.154 CCC(C)CN(C)CCCC=O 2230a_100000753921_200011292268 [0,2,0,0,0,0|2,0,0]=4 8258 B11R0.154 CCC(C)CN(C)CCCC=O 269982a_100000753921_200011292268 [0,2,0,0,0,0|2,0,0]=4 8259 B11R0.152 C#CC(CCCCC)OCC=O 34a_100011216489_200009817547 [0,2,0,0,0,0|2,0,0]=4 8260 B11R0.152 C#CC(CCCCC)OCC=O 7a_100011216489_200015260668 [0,2,0,0,0,0|2,0,0]=4 8261 B11R0.152 C=CC(CCCCC)OCC=O 34a_100011216863_200009817547 [0,2,0,0,0,0|2,0,0]=4 8262 B11R0.152 C=CC(CCCCC)OCC=O 7a_100011216863_200015260668 [0,2,0,0,0,0|2,0,0]=4 8263 B11R0.152 CCCCC(CC)CNCC=O 2230a_100000209976_200015260668 [0,2,0,0,0,0|2,0,0]=4 8264 B11R0.152 CCCCC(CC)COCC=O 34a_100000210273_200009817547 [0,2,0,0,0,0|2,0,0]=4 8265 B11R0.152 CCCCC(CC)COCC=O 7a_100000210273_200015260668 [0,2,0,0,0,0|2,0,0]=4 8266 B11R0.152 CCCCC(CC)CSCC=O 62a_100000211942_200015260668 [0,2,0,0,0,0|2,0,0]=4 8267 B11R0.152 CCCCC(CC)CSCC=O 62a_200015260668_100000211942 [0,2,0,0,0,0|2,0,0]=4 8268 B11R0.152 CCCCCC(CC)OCC=O 34a_100011215405_200009817547 [0,2,0,0,0,0|2,0,0]=4 8269 B11R0.152 CCCCCC(CC)OCC=O 7a_100011215405_200015260668 [0,2,0,0,0,0|2,0,0]=4 8270 B11R0.152 CCCCN(CC)CCCC=O 2230a_100000207695_200011292268 [0,2,0,0,0,0|2,0,0]=4 8271 B11R0.152 CCCCN(CC)CCCC=O 269982a_100000207695_200011292268 [0,2,0,0,0,0|2,0,0]=4 8272 B11R0.321 CCCCC(C)(C)COCC=O 7a_200011995781_200015260668 [0,2,0,0,0,0|2,0,0]=4 8273 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [1,0,0,1,0,0|2,0,0]=4 8274 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,0,0,1,0,0|1,0,1]=4 8275 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,0,0,1,0,0|1,0,1]=4 8276 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,0,0,1,0,0|1,0,1]=4 8277 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,1,0,0|2,0,0]=4 8278 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [1,0,0,1,0,0|2,0,0]=4 8279 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [1,0,0,1,0,0|2,0,0]=4 8280 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [1,0,0,1,0,0|0,0,1]=3 8281 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [1,0,0,1,0,0|0,0,1]=3 8282 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [1,0,0,1,0,0|0,0,1]=3 8283 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [1,0,0,1,0,0|0,0,1]=3 8284 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [1,0,0,1,0,0|0,0,1]=3 8285 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [1,0,0,1,0,0|0,0,1]=3 8286 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 8287 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 8288 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 8289 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,1,0,0|1,0,1]=4 8290 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 8291 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [1,0,0,1,0,0|1,0,1]=4 8292 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [1,0,0,1,0,0|1,0,1]=4 8293 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [1,0,0,1,0,0|1,0,1]=4 8294 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [1,0,0,1,0,0|1,0,1]=4 8295 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [1,0,0,1,0,0|1,0,1]=4 8296 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [1,0,0,1,0,0|1,0,1]=4 8297 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [1,0,0,1,0,0|1,0,1]=4 8298 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [1,0,0,1,0,0|1,0,1]=4 8299 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [1,0,0,1,0,0|1,0,1]=4 8300 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [1,0,0,1,0,0|1,0,1]=4 8301 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [1,0,0,1,0,0|1,0,1]=4 8302 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [1,0,0,1,0,0|1,0,1]=4 8303 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [1,0,0,1,0,0|1,0,1]=4 8304 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [1,0,0,1,0,0|1,0,1]=4 8305 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [1,0,0,1,0,0|1,0,1]=4 8306 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,0,0,1,0,0|1,0,1]=4 8307 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,0,0,1,0,0|1,0,1]=4 8308 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,0,0,1,0,0|1,0,1]=4 8309 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [1,0,0,1,0,0|1,0,1]=4 8310 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [1,0,0,1,0,0|1,0,1]=4 8311 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [1,0,0,1,0,0|1,0,1]=4 8312 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [1,0,0,1,0,0|1,0,1]=4 8313 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [1,0,0,1,0,0|2,0,0]=4 8314 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [1,0,0,1,0,0|2,0,0]=4 8315 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [1,0,0,1,0,0|2,0,0]=4 8316 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [1,0,0,1,0,0|2,0,0]=4 8317 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [1,0,0,1,0,0|2,0,0]=4 8318 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [1,0,0,1,0,0|2,0,0]=4 8319 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [1,0,0,1,0,0|2,0,0]=4 8320 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [1,0,0,1,0,0|2,0,0]=4 8321 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [1,0,0,1,0,0|0,0,1]=3 8322 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [1,0,0,1,0,0|0,0,1]=3 8323 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 8324 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 8325 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [1,0,0,1,0,0|1,0,1]=4 8326 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [1,0,0,1,0,0|1,0,1]=4 8327 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [1,0,0,1,0,0|1,0,1]=4 8328 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [1,0,0,1,0,0|1,0,1]=4 8329 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [1,0,0,1,0,0|1,0,1]=4 8330 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [1,0,0,1,0,0|1,0,1]=4 8331 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,0,0,1,0,0|1,0,1]=4 8332 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,0,0,1,0,0|1,0,1]=4 8333 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [1,0,0,1,0,0|1,0,1]=4 8334 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [1,0,0,1,0,0|1,0,1]=4 8335 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [1,0,0,1,0,0|1,0,1]=4 8336 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [1,0,0,1,0,0|2,0,0]=4 8337 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [1,0,0,1,0,0|2,0,0]=4 8338 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [1,0,0,1,0,0|2,0,0]=4 8339 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [1,0,0,1,0,0|2,0,0]=4 8340 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [1,0,0,1,0,0|2,0,0]=4 8341 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [1,0,0,1,0,0|2,0,0]=4 8342 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [1,0,0,1,0,0|2,0,0]=4 8343 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [1,0,0,1,0,0|2,0,0]=4 8344 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [1,0,0,1,0,0|2,0,0]=4 8345 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [1,0,0,1,0,0|2,0,0]=4 8346 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [1,0,0,1,0,0|2,0,0]=4 8347 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,1,0,0|1,0,1]=4 8348 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,1,0,0|1,0,1]=4 8349 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,1,0,0|1,0,1]=4 8350 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,1,0,0|1,0,1]=4 8351 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [1,0,0,1,0,0|1,0,1]=4 8352 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,1,0,0|0,0,1]=3 8353 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,1,0,0|0,0,1]=3 8354 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,1,0,0|0,0,1]=3 8355 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,1,0,0|0,0,1]=3 8356 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,1,0,0|0,0,1]=3 8357 B9R1.12 CNCCN1CCCC1 7a_106832991635_100000004467 [1,0,0,1,0,0|1,0,1]=4 8358 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,1,0,0|1,0,1]=4 8359 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,1,0,0|1,0,1]=4 8360 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,1,0,0|1,0,1]=4 8361 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [1,0,0,1,0,0|1,0,1]=4 8362 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,1,0,0|1,0,1]=4 8363 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,1,0,0|1,0,1]=4 8364 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [1,0,0,1,0,0|1,0,1]=4 8365 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [1,0,0,1,0,0|1,0,0]=3 8366 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [1,0,0,1,0,0|1,0,0]=3 8367 B9R1.12 O=CCN[C@@H]1CCOC1 2230a_200015188469_200015260668 [1,0,0,1,0,0|2,0,0]=4 8368 B9R1.12 O=CCN[C@H]1CCOC1 2230a_100015188467_200015260668 [1,0,0,1,0,0|2,0,0]=4 8369 B9R1.12 O=CCN[C@H]1CCOC1 34a_100015188467_200009817547 [1,0,0,1,0,0|2,0,0]=4 8370 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [1,0,0,1,0,0|1,0,0]=3 8371 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [1,0,0,1,0,0|1,0,0]=3 8372 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [1,0,0,1,0,0|2,0,0]=4 8373 B9R1.12 O=CCOC1CCSC1 7a_100011232664_200015260668 [1,0,0,1,0,0|2,0,0]=4 8374 B9R1.12 O=CCO[C@H]1CCOC1 34a_100000717292_200009817547 [1,0,0,1,0,0|2,0,0]=4 8375 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [1,0,0,1,0,0|1,0,0]=3 8376 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [1,0,0,1,0,0|1,0,0]=3 8377 B9R1.12 O=CCSC1CCOC1 62a_200015260668_100000690089 [1,0,0,1,0,0|2,0,0]=4 8378 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,1,0,0|0,0,1]=3 8379 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,1,0,0|0,0,1]=3 8380 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,1,0,0|1,0,1]=4 8381 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,1,0,0|1,0,1]=4 8382 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [1,0,0,1,0,0|1,0,1]=4 8383 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,1,0,0|1,0,1]=4 8384 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,1,0,0|1,0,1]=4 8385 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [1,0,0,1,0,0|0,0,1]=3 8386 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [1,0,0,1,0,0|0,0,1]=3 8387 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|1,0,1]=4 8388 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|1,0,1]=4 8389 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|1,0,1]=4 8390 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [1,0,0,1,0,0|1,0,1]=4 8391 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [1,0,0,1,0,0|1,0,1]=4 8392 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,0,0,1,0,0|0,0,1]=3 8393 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,0,0,1,0,0|0,0,1]=3 8394 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,0,0,1,0,0|1,0,1]=4 8395 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,0,0,1,0,0|1,0,1]=4 8396 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [1,0,0,1,0,0|1,0,1]=4 8397 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [1,0,0,1,0,0|1,0,1]=4 8398 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,0,0,1,0,0|0,0,1]=3 8399 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,0,0,1,0,0|0,0,1]=3 8400 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,0,0,1,0,0|0,0,1]=3 8401 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,0,0,1,0,0|0,0,1]=3 8402 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,0,0,1,0,0|0,0,1]=3 8403 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,0,0,1,0,0|0,0,1]=3 8404 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [1,0,0,1,0,0|1,0,1]=4 8405 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [1,0,0,1,0,0|1,0,1]=4 8406 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [1,0,0,1,0,0|1,0,1]=4 8407 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [1,0,0,1,0,0|1,0,1]=4 8408 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [1,0,0,1,0,0|1,0,1]=4 8409 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [1,0,0,1,0,0|1,0,1]=4 8410 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [1,0,0,1,0,0|1,0,1]=4 8411 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [1,0,0,1,0,0|1,0,1]=4 8412 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [1,0,0,1,0,0|1,0,1]=4 8413 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 8414 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 8415 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 8416 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|1,0,0]=3 8417 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|1,0,0]=3 8418 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,0,0,1,0,0|0,0,1]=3 8419 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,0,0,1,0,0|0,0,1]=3 8420 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,0,0,1,0,0|0,0,1]=3 8421 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,0,0,1,0,0|0,0,1]=3 8422 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,0,0,1,0,0|1,0,1]=4 8423 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,1]=4 8424 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [1,0,0,1,0,0|1,0,0]=3 8425 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [1,0,0,1,0,0|1,0,0]=3 8426 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [1,0,0,1,0,0|1,0,0]=3 8427 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [1,0,0,1,0,0|1,0,0]=3 8428 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [1,0,0,1,0,0|1,0,0]=3 8429 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [1,0,0,1,0,0|1,0,1]=4 8430 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [1,0,0,1,0,0|1,0,1]=4 8431 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [1,0,0,1,0,0|2,0,0]=4 8432 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [1,0,0,1,0,0|2,0,0]=4 8433 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,0,0,1,0,0|1,0,1]=4 8434 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,0,0,1,0,0|1,0,1]=4 8435 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|1,0,0]=3 8436 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|1,0,0]=3 8437 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,0,0,1,0,0|1,0,1]=4 8438 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,0,0,1,0,0|1,0,1]=4 8439 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [1,0,0,1,0,0|1,0,0]=3 8440 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [1,0,0,1,0,0|1,0,0]=3 8441 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [1,0,0,1,0,0|2,0,0]=4 8442 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|1,0,0]=3 8443 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|1,0,0]=3 8444 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [1,0,0,1,0,0|1,0,0]=3 8445 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [1,0,0,1,0,0|1,0,0]=3 8446 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [1,0,0,1,0,0|2,0,0]=4 8447 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [1,0,0,1,0,0|2,0,0]=4 8448 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 8449 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 8450 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 8451 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [1,0,0,1,0,0|1,0,0]=3 8452 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [1,0,0,1,0,0|1,0,0]=3 8453 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,0,0,1,0,0|1,0,1]=4 8454 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,0,0,1,0,0|1,0,1]=4 8455 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|1,0,0]=3 8456 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [1,0,0,1,0,0|1,0,0]=3 8457 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|1,0,0]=3 8458 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|1,0,0]=3 8459 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [1,0,0,1,0,0|1,0,0]=3 8460 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [1,0,0,1,0,0|1,0,0]=3 8461 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [1,0,0,1,0,0|2,0,0]=4 8462 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [1,0,0,1,0,0|2,0,0]=4 8463 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [1,0,0,1,0,0|2,0,0]=4 8464 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [1,0,0,1,0,0|2,0,0]=4 8465 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [1,0,0,1,0,0|1,0,0]=3 8466 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [1,0,0,1,0,0|1,0,0]=3 8467 B9R1.17 C=CCCCN1CCC1 269982a_100000754969_100000757094 [1,0,0,1,0,0|2,0,0]=4 8468 B9R1.17 C=CCCNC1CCC1 2230a_100000749019_100000754431 [1,0,0,1,0,0|2,0,0]=4 8469 B9R1.17 C=CCCNC1CCC1 270004a_100015191253_100000241760 [1,0,0,1,0,0|2,0,0]=4 8470 B9R1.17 C=CCCNC1CCC1 34a_100000749019_100000754431 [1,0,0,1,0,0|2,0,0]=4 8471 B9R1.17 C=CCCOC1CCC1 34a_100000748187_100000754431 [1,0,0,1,0,0|2,0,0]=4 8472 B9R1.17 C=CCCOC1CCC1 34a_100011205117_100000749161 [1,0,0,1,0,0|2,0,0]=4 8473 B9R1.17 C=CCCSC1CCC1 62a_100000754431_100000749161 [1,0,0,1,0,0|2,0,0]=4 8474 B9R1.17 C=CCNCC1CCC1 2230a_100000738700_100000210623 [1,0,0,1,0,0|2,0,0]=4 8475 B9R1.17 C=CCNCC1CCC1 2230a_100020586998_100000763275 [1,0,0,1,0,0|2,0,0]=4 8476 B9R1.17 C=CCNCC1CCC1 34a_100000738700_100015514636 [1,0,0,1,0,0|2,0,0]=4 8477 B9R1.17 C=CCOCC1CCC1 34a_100000760304_100015514636 [1,0,0,1,0,0|2,0,0]=4 8478 B9R1.17 C=CCOCC1CCC1 34a_200000210373_100000763275 [1,0,0,1,0,0|2,0,0]=4 8479 B9R1.17 C=CCSCC1CCC1 62a_100000210623_100000763275 [1,0,0,1,0,0|2,0,0]=4 8480 B9R1.17 C=CCSCC1CCC1 62a_100000763275_100000210623 [1,0,0,1,0,0|2,0,0]=4 8481 B9R1.17 CCCOCC1CNC1 34a_100016987283_100000210303 [1,0,0,1,0,0|1,0,1]=4 8482 B9R1.17 O=CCCCN1CCC1 269982a_100000754969_200011292268 [1,0,0,1,0,0|1,0,0]=3 8483 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [1,0,0,1,0,0|1,0,0]=3 8484 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [1,0,0,1,0,0|1,0,0]=3 8485 B9R1.17 O=CCNCC1COC1 2230a_100015281925_200015260668 [1,0,0,1,0,0|2,0,0]=4 8486 B9R1.17 O=CCNCC1COC1 34a_100015281925_200009817547 [1,0,0,1,0,0|2,0,0]=4 8487 B9R1.17 O=CCNC[C@@H]1CCO1 2230a_100020831831_200015260668 [1,0,0,1,0,0|2,0,0]=4 8488 B9R1.17 O=CCNC[C@@H]1CCO1 34a_100020831831_200009817547 [1,0,0,1,0,0|2,0,0]=4 8489 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [1,0,0,1,0,0|1,0,0]=3 8490 B9R1.17 O=CCOCC1CCO1 34a_100000039022_200009817547 [1,0,0,1,0,0|2,0,0]=4 8491 B9R1.17 O=CCOCC1CNC1 34a_100016987283_200009817547 [1,0,0,1,0,0|2,0,0]=4 8492 B9R1.17 O=CCOCC1COC1 34a_100000060846_200009817547 [1,0,0,1,0,0|2,0,0]=4 8493 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [1,0,0,1,0,0|1,0,0]=3 8494 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [1,0,0,1,0,0|1,0,0]=3 8495 B9R1.17 O=CCSCC1CCO1 62a_100000103362_200015260668 [1,0,0,1,0,0|2,0,0]=4 8496 B9R1.17 O=CCSCC1CCO1 62a_200015260668_100000103362 [1,0,0,1,0,0|2,0,0]=4 8497 B9R1.17 O=CCSCC1COC1 62a_100010264016_200015260668 [1,0,0,1,0,0|2,0,0]=4 8498 B9R1.17 O=CCSCC1COC1 62a_200015260668_100010264016 [1,0,0,1,0,0|2,0,0]=4 8499 B9R1.33 C=CCN1CCC[C@@H]1C 2230a_100020605311_100000210623 [1,0,0,1,0,0|2,0,0]=4 8500 B9R1.33 C=CCN1CCC[C@@H]1C 269982a_100020605311_100000210623 [1,0,0,1,0,0|2,0,0]=4 8501 B9R1.33 C=CCN1CCC[C@H]1C 2230a_100015189458_100000210623 [1,0,0,1,0,0|2,0,0]=4 8502 B9R1.33 C=CCN1CCC[C@H]1C 269982a_100015189458_100000210623 [1,0,0,1,0,0|2,0,0]=4 8503 B9R1.33 C=CCN1CCC[C@H]1C 34a_100015189458_100015514636 [1,0,0,1,0,0|2,0,0]=4 8504 B9R1.33 CC1SCCN1CC=O 2230a_200011216479_200015260668 [1,0,0,1,0,0|2,0,0]=4 8505 B9R1.33 CC1SCCN1CC=O 269982a_200011216479_200015260668 [1,0,0,1,0,0|2,0,0]=4 8506 B9R1.33 CC1SCCN1CC=O 34a_200011216479_200009817547 [1,0,0,1,0,0|2,0,0]=4 8507 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|1,0,0]=3 8508 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [1,0,0,1,0,0|1,0,1]=4 8509 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,1,0,0|1,0,0]=3 8510 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,1,0,0|1,0,0]=3 8511 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|2,0,0]=4 8512 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [1,0,0,1,0,0|2,0,0]=4 8513 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [1,0,0,1,0,0|2,0,0]=4 8514 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|1,0,0]=3 8515 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|1,0,0]=3 8516 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|2,0,0]=4 8517 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,1,0,0|1,0,0]=3 8518 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|1,0,0]=3 8519 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|1,0,0]=3 8520 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|2,0,0]=4 8521 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|2,0,0]=4 8522 B9R1.33 CN1CCCC1CO[13CH3] 34a_100000743107_200025704644 [1,0,0,1,0,0|1,0,1]=4 8523 B9R1.33 COCC1CCCN1C 34a_100000743107_200000210301 [1,0,0,1,0,0|1,0,1]=4 8524 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [1,0,0,1,0,0|1,0,0]=3 8525 B9R1.33 COC[C@@H]1CCCN1C 2230a_100020646714_200000210301 [1,0,0,1,0,0|1,0,1]=4 8526 B9R1.33 COC[C@@H]1CCCN1C 269982a_100020646714_200000210301 [1,0,0,1,0,0|1,0,1]=4 8527 B9R1.33 COC[C@@H]1CCCN1C 34a_100020646714_200000210301 [1,0,0,1,0,0|1,0,1]=4 8528 B9R1.33 COC[C@@H]1CCCN1[13CH3] 2230a_100020646714_200025704644 [1,0,0,1,0,0|1,0,1]=4 8529 B9R1.33 COC[C@@H]1CCCN1[13CH3] 269982a_100020646714_200025704644 [1,0,0,1,0,0|1,0,1]=4 8530 B9R1.33 COC[C@@H]1CCCN1[13CH3] 34a_100020646714_200025704644 [1,0,0,1,0,0|1,0,1]=4 8531 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [1,0,0,1,0,0|2,0,0]=4 8532 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [1,0,0,1,0,0|2,0,0]=4 8533 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [1,0,0,1,0,0|1,0,0]=3 8534 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [1,0,0,1,0,0|1,0,0]=3 8535 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [1,0,0,1,0,0|1,0,0]=3 8536 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [1,0,0,1,0,0|1,0,0]=3 8537 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [1,0,0,1,0,0|1,0,0]=3 8538 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [1,0,0,1,0,0|2,0,0]=4 8539 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [1,0,0,1,0,0|2,0,0]=4 8540 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [1,0,0,1,0,0|2,0,0]=4 8541 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [1,0,0,1,0,0|2,0,0]=4 8542 B9R1.33 O=C1NCC[C@@H]1OCF 34a_100000688343_100015361967 [1,0,0,1,0,0|2,0,0]=4 8543 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [1,0,0,1,0,0|1,0,0]=3 8544 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [1,0,0,1,0,0|2,0,0]=4 8545 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [1,0,0,1,0,0|2,0,0]=4 8546 B9R1.39 C=CCCN1CCC1C 269982a_100000755817_100000754431 [1,0,0,1,0,0|2,0,0]=4 8547 B9R1.39 C=CCCN1CCC1C 34a_100000755817_100000754431 [1,0,0,1,0,0|2,0,0]=4 8548 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [1,0,0,1,0,0|1,0,0]=3 8549 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [1,0,0,1,0,0|1,0,0]=3 8550 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [1,0,0,1,0,0|1,0,0]=3 8551 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [1,0,0,1,0,0|1,0,0]=3 8552 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [1,0,0,1,0,0|1,0,0]=3 8553 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [1,0,0,1,0,0|2,0,0]=4 8554 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [1,0,0,1,0,0|2,0,0]=4 8555 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [1,0,0,1,0,0|1,0,0]=3 8556 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [1,0,0,1,0,0|1,0,0]=3 8557 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [1,0,0,1,0,0|2,0,0]=4 8558 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [1,0,0,1,0,0|2,0,0]=4 8559 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [1,0,0,1,0,0|2,0,0]=4 8560 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [1,0,0,1,0,0|2,0,0]=4 8561 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [1,0,0,1,0,0|2,0,0]=4 8562 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [1,0,0,1,0,0|2,0,0]=4 8563 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [1,0,0,1,0,0|2,0,0]=4 8564 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [1,0,0,1,0,0|2,0,0]=4 8565 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [1,0,0,1,0,0|2,0,0]=4 8566 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [1,0,0,1,0,0|2,0,0]=4 8567 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [1,0,0,1,0,0|1,0,0]=3 8568 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [1,0,0,1,0,0|1,0,0]=3 8569 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [1,0,0,1,0,0|0,0,1]=3 8570 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [1,0,0,1,0,0|0,0,1]=3 8571 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [1,0,0,1,0,0|0,0,1]=3 8572 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [1,0,0,1,0,0|0,0,1]=3 8573 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [1,0,0,1,0,0|0,0,1]=3 8574 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [1,0,0,1,0,0|0,0,1]=3 8575 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [1,0,0,1,0,0|2,0,0]=4 8576 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [1,0,0,1,0,0|2,0,0]=4 8577 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [1,0,0,1,0,0|2,0,0]=4 8578 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [1,0,0,1,0,0|2,0,0]=4 8579 B9R1.83 C=CCCNCC1CC1 2230a_100000735609_100000754431 [1,0,0,1,0,0|2,0,0]=4 8580 B9R1.83 C=CCCNCC1CC1 2230a_100015191253_100000742324 [1,0,0,1,0,0|2,0,0]=4 8581 B9R1.83 C=CCCNCC1CC1 269862a_100015191253_100000741477 [1,0,0,1,0,0|2,0,0]=4 8582 B9R1.83 C=CCCNCC1CC1 34a_100000735609_100000754431 [1,0,0,1,0,0|2,0,0]=4 8583 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [1,0,0,1,0,0|2,0,0]=4 8584 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [1,0,0,1,0,0|2,0,0]=4 8585 B9R1.83 C=CCCSCC1CC1 62a_100000754431_100000742324 [1,0,0,1,0,0|2,0,0]=4 8586 B9R1.83 C=CCCSCC1CC1 62a_100000756562_100000754431 [1,0,0,1,0,0|2,0,0]=4 8587 B9R1.83 C=CCNCCC1CC1 2230a_100020586998_100000694398 [1,0,0,1,0,0|2,0,0]=4 8588 B9R1.83 C=CCNCCC1CC1 34a_100000764129_100015514636 [1,0,0,1,0,0|2,0,0]=4 8589 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [1,0,0,1,0,0|2,0,0]=4 8590 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [1,0,0,1,0,0|2,0,0]=4 8591 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [1,0,0,1,0,0|2,0,0]=4 8592 B9R1.83 C=CCSCCC1CC1 62a_100000210623_100000764125 [1,0,0,1,0,0|2,0,0]=4 8593 B9R1.83 C=CCSCCC1CC1 62a_100000764125_100000210623 [1,0,0,1,0,0|2,0,0]=4 8594 B9R1.83 CNCCCOC1CC1 34a_100000213112_100000211595 [1,0,0,1,0,0|1,0,1]=4 8595 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [1,0,0,1,0,0|1,0,0]=3 8596 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [1,0,0,1,0,0|1,0,0]=3 8597 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [1,0,0,1,0,0|1,0,0]=3 8598 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [1,0,0,1,0,0|1,0,0]=3 8599 B9R1.83 O=CCOCC[C@@H]1CO1 34a_100009820653_200009817547 [1,0,0,1,0,0|2,0,0]=4 8600 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [1,0,0,1,0,0|1,0,0]=3 8601 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [1,0,0,1,0,0|1,0,0]=3 8602 B9R1.83 O=CCSCCC1CO1 62a_100000732470_200015260668 [1,0,0,1,0,0|2,0,0]=4 8603 B9R1.83 O=CCSCCC1CO1 62a_200015260668_100000732470 [1,0,0,1,0,0|2,0,0]=4 8604 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [1,0,0,1,0,0|1,0,1]=4 8605 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [1,0,0,1,0,0|1,0,1]=4 8606 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [1,0,0,1,0,0|1,0,1]=4 8607 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|0,0,1]=3 8608 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|0,0,1]=3 8609 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|0,0,1]=3 8610 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|0,0,1]=3 8611 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [1,0,0,1,0,0|1,0,1]=4 8612 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|1,0,1]=4 8613 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|1,0,1]=4 8614 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|1,0,1]=4 8615 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|1,0,1]=4 8616 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|1,0,1]=4 8617 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [1,0,0,1,0,0|1,0,1]=4 8618 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [1,0,0,1,0,0|1,0,1]=4 8619 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|0,0,1]=3 8620 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|0,0,1]=3 8621 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|1,0,1]=4 8622 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|1,0,1]=4 8623 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|1,0,1]=4 8624 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|1,0,1]=4 8625 B11R1.4 C#CCNCCC1CCCC1 2230a_100000739158_100000038162 [0,1,0,1,0,0|1,0,1]=4 8626 B11R1.4 C#CCNCCC1CCCC1 34a_100000212058_100000760354 [0,1,0,1,0,0|1,0,1]=4 8627 B11R1.4 C#CCNCCC1CCCC1 34a_100000739158_100000184674 [0,1,0,1,0,0|1,0,1]=4 8628 B11R1.4 C/C=C/CCOC1CCCC1 34a_100016278192_100000179811 [0,1,0,1,0,0|2,0,0]=4 8629 B11R1.4 C/C=C/CNCC1CCCC1 34a_100000737975_100102629194 [0,1,0,1,0,0|2,0,0]=4 8630 B11R1.4 C/C=C/COCC1CCCC1 34a_100000742336_100102629194 [0,1,0,1,0,0|2,0,0]=4 8631 B11R1.4 C/C=C/COCC1CCCC1 34a_100016270725_100000740388 [0,1,0,1,0,0|2,0,0]=4 8632 B11R1.4 C/C=C/COCC1CCCC1 7a_100000742336_100102629194 [0,1,0,1,0,0|2,0,0]=4 8633 B11R1.4 C/C=C/CSCC1CCCC1 62a_100000740388_100102629194 [0,1,0,1,0,0|2,0,0]=4 8634 B11R1.4 C/C=C/CSCC1CCCC1 62a_100102629194_100000740388 [0,1,0,1,0,0|2,0,0]=4 8635 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [0,1,0,1,0,0|2,0,0]=4 8636 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [0,1,0,1,0,0|2,0,0]=4 8637 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [0,1,0,1,0,0|2,0,0]=4 8638 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [0,1,0,1,0,0|2,0,0]=4 8639 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [0,1,0,1,0,0|2,0,0]=4 8640 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [0,1,0,1,0,0|2,0,0]=4 8641 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [0,1,0,1,0,0|2,0,0]=4 8642 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [0,1,0,1,0,0|2,0,0]=4 8643 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [0,1,0,1,0,0|2,0,0]=4 8644 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [0,1,0,1,0,0|2,0,0]=4 8645 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [0,1,0,1,0,0|2,0,0]=4 8646 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [0,1,0,1,0,0|2,0,0]=4 8647 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [0,1,0,1,0,0|2,0,0]=4 8648 B11R1.4 C=CCCNCC1CCCC1 2230a_100000737975_100000754431 [0,1,0,1,0,0|2,0,0]=4 8649 B11R1.4 C=CCCNCC1CCCC1 2230a_100015191253_100000740388 [0,1,0,1,0,0|2,0,0]=4 8650 B11R1.4 C=CCCNCC1CCCC1 269862a_100015191253_100000746403 [0,1,0,1,0,0|2,0,0]=4 8651 B11R1.4 C=CCCNCC1CCCC1 34a_100000737975_100000754431 [0,1,0,1,0,0|2,0,0]=4 8652 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [0,1,0,1,0,0|2,0,0]=4 8653 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [0,1,0,1,0,0|2,0,0]=4 8654 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [0,1,0,1,0,0|2,0,0]=4 8655 B11R1.4 C=CCCSCC1CCCC1 62a_100000740388_100000754431 [0,1,0,1,0,0|2,0,0]=4 8656 B11R1.4 C=CCCSCC1CCCC1 62a_100000754431_100000740388 [0,1,0,1,0,0|2,0,0]=4 8657 B11R1.4 C=CCNCCC1CCCC1 2230a_100000739158_100000210623 [0,1,0,1,0,0|1,0,0]=3 8658 B11R1.4 C=CCNCCC1CCCC1 2230a_100020586998_100000760354 [0,1,0,1,0,0|1,0,0]=3 8659 B11R1.4 C=CCNCCC1CCCC1 34a_100000739158_100015514636 [0,1,0,1,0,0|1,0,0]=3 8660 B11R1.4 C=CCOCCC1CCCC1 34a_100000749090_100015514636 [0,1,0,1,0,0|2,0,0]=4 8661 B11R1.4 C=CCOCCC1CCCC1 34a_200000210373_100000760354 [0,1,0,1,0,0|2,0,0]=4 8662 B11R1.4 C=CCOCCC1CCCC1 7a_100000749090_100015514636 [0,1,0,1,0,0|2,0,0]=4 8663 B11R1.4 C=CCSCCC1CCCC1 62a_100000210623_100000760354 [0,1,0,1,0,0|2,0,0]=4 8664 B11R1.4 C=CCSCCC1CCCC1 62a_100000760354_100000210623 [0,1,0,1,0,0|2,0,0]=4 8665 B11R1.4 C=COCCNC1CCCC1 2230a_100000211070_100000039644 [0,1,0,1,0,0|2,0,0]=4 8666 B11R1.4 C=COCCNC1CCCC1 34a_100000211070_100000039644 [0,1,0,1,0,0|2,0,0]=4 8667 B11R1.4 C=COCCOC1CCCC1 34a_100000033082_100000179811 [0,1,0,1,0,0|2,0,0]=4 8668 B11R1.4 C=COCCOC1CCCC1 34a_100000210269_100000039644 [0,1,0,1,0,0|2,0,0]=4 8669 B11R1.4 C=COCCOC1CCCC1 7a_100000210269_100000039644 [0,1,0,1,0,0|2,0,0]=4 8670 B11R1.4 C=COCCSC1CCCC1 62a_100000039644_100000179811 [0,1,0,1,0,0|2,0,0]=4 8671 B11R1.4 C=COCCSC1CCCC1 62a_100011217020_100000039644 [0,1,0,1,0,0|2,0,0]=4 8672 B11R1.4 CC=CCNCC1CCCC1 2230a_100000737975_100000070051 [0,1,0,1,0,0|2,0,0]=4 8673 B11R1.4 CC=CCNCC1CCCC1 34a_100000737975_100000070051 [0,1,0,1,0,0|2,0,0]=4 8674 B11R1.4 CC=CCOCC1CCCC1 34a_100000742336_100000070051 [0,1,0,1,0,0|2,0,0]=4 8675 B11R1.4 CC=CCOCC1CCCC1 7a_100000742336_100000070051 [0,1,0,1,0,0|2,0,0]=4 8676 B11R1.4 CC=CCSCC1CCCC1 62a_100000070051_100000740388 [0,1,0,1,0,0|2,0,0]=4 8677 B11R1.4 CC=CCSCC1CCCC1 62a_100000740388_100000070051 [0,1,0,1,0,0|2,0,0]=4 8678 B11R1.4 CCCCCCN1CC=CC1 269982a_100015195280_100000210757 [0,1,0,1,0,0|2,0,0]=4 8679 B11R1.4 CCCCCNC1CC=CC1 2230a_100015188752_100000210326 [0,1,0,1,0,0|2,0,0]=4 8680 B11R1.4 CCCCOCC1CC=CC1 34a_100000688395_100000210210 [0,1,0,1,0,0|2,0,0]=4 8681 B11R1.4 CCCCOCC1CCNC1 34a_100000748654_100000210210 [0,1,0,1,0,0|1,0,1]=4 8682 B11R1.4 CCCNCCC1CCCC1 2230a_100000739158_100000210303 [0,1,0,1,0,0|1,0,1]=4 8683 B11R1.4 CCCNCCC1CCCC1 34a_100000739158_100000210303 [0,1,0,1,0,0|1,0,1]=4 8684 B11R1.4 CCCOCCC1CCNC1 34a_100016987287_100000210303 [0,1,0,1,0,0|1,0,1]=4 8685 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [0,1,0,1,0,0|1,0,1]=4 8686 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [0,1,0,1,0,0|1,0,1]=4 8687 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [0,1,0,1,0,0|1,0,1]=4 8688 B11R1.4 CCNCCCN1CCCC1 2230a_100015525214_100011445909 [0,1,0,1,0,0|1,0,1]=4 8689 B11R1.4 CCNCCOC1CCCC1 34a_100000741755_100000210202 [0,1,0,1,0,0|1,0,1]=4 8690 B11R1.4 COCNCCC1CCCC1 2230a_100000739158_100000766300 [0,1,0,1,0,0|0,0,2]=4 8691 B11R1.4 CSCNCCC1CCCC1 2230a_100000739158_100011218213 [0,1,0,1,0,0|0,1,1]=4 8692 B11R1.4 CSCNCCC1CCCC1 34a_100000739158_100011218213 [0,1,0,1,0,0|0,1,1]=4 8693 B11R1.4 FCCNCCC1CCCC1 2230a_100000739158_100011217306 [0,1,0,1,0,0|1,0,1]=4 8694 B11R1.4 FCCNCCC1CCCC1 34a_100000724931_100000760354 [0,1,0,1,0,0|1,0,1]=4 8695 B11R1.4 FCCNCCC1CCCC1 34a_100000739158_100011217306 [0,1,0,1,0,0|1,0,1]=4 8696 B11R1.4 FCNCCCC1CCCC1 34a_100000736752_100015361967 [0,1,0,1,0,0|1,0,1]=4 8697 B11R1.4 FCNCCOC1CCCC1 34a_100000741755_100015361967 [0,1,0,1,0,0|1,0,1]=4 8698 B11R1.4 N#CCNCCC1CCCC1 2230a_100000739158_100011215382 [0,1,0,1,0,0|1,0,1]=4 8699 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [0,1,0,1,0,0|1,0,0]=3 8700 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [0,1,0,1,0,0|1,0,0]=3 8701 B11R1.4 O=CCCCCN1CCSC1 2230a_100011215254_100000139335 [0,1,0,1,0,0|2,0,0]=4 8702 B11R1.4 O=CCCCCN1CCSC1 269982a_100011215254_100000139335 [0,1,0,1,0,0|2,0,0]=4 8703 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [0,1,0,1,0,0|1,0,0]=3 8704 B11R1.4 O=CCCCN[C@@H]1CCOC1 2230a_200015188469_200011292268 [0,1,0,1,0,0|2,0,0]=4 8705 B11R1.4 O=CCCCN[C@H]1CCOC1 2230a_100015188467_200011292268 [0,1,0,1,0,0|2,0,0]=4 8706 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [0,1,0,1,0,0|1,0,0]=3 8707 B11R1.4 O=CCCCOC1CCSC1 7a_100011232664_200011292268 [0,1,0,1,0,0|2,0,0]=4 8708 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [0,1,0,1,0,0|1,0,0]=3 8709 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [0,1,0,1,0,0|1,0,0]=3 8710 B11R1.4 O=CCCCSC1CCOC1 62a_200011292268_100000690089 [0,1,0,1,0,0|2,0,0]=4 8711 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [0,1,0,1,0,0|0,0,0]=2 8712 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [0,1,0,1,0,0|0,0,0]=2 8713 B11R1.4 O=CCNCCC1OCCO1 2230a_100000034215_200015260668 [0,1,0,1,0,0|2,0,0]=4 8714 B11R1.4 O=CCNCCC1OCCO1 34a_100000034215_200009817547 [0,1,0,1,0,0|2,0,0]=4 8715 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [0,1,0,1,0,0|1,0,0]=3 8716 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [0,1,0,1,0,0|1,0,0]=3 8717 B11R1.4 O=CCOCCC1CCNC1 34a_100016987287_200009817547 [0,1,0,1,0,0|2,0,0]=4 8718 B11R1.4 O=CCOCCC1CCOC1 34a_100011879284_200009817547 [0,1,0,1,0,0|2,0,0]=4 8719 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [0,1,0,1,0,0|1,0,0]=3 8720 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [0,1,0,1,0,0|1,0,0]=3 8721 B11R1.4 O=CCSCCN1CCCC1 62a_100000700749_200015260668 [0,1,0,1,0,0|2,0,0]=4 8722 B11R1.4 O=CCSCCN1CCCC1 62a_200015260668_100000004467 [0,1,0,1,0,0|2,0,0]=4 8723 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [0,1,0,1,0,0|0,0,2]=4 8724 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [0,1,0,1,0,0|0,0,2]=4 8725 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [0,1,0,1,0,0|0,0,2]=4 8726 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [0,1,0,1,0,0|0,0,2]=4 8727 B11R1.16 CCNC(C)C1CCCCC1 269862a_100015525214_100000210989 [0,1,0,1,0,0|1,0,1]=4 8728 B11R1.16 CCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210202 [0,1,0,1,0,0|1,0,1]=4 8729 B11R1.16 CCN[C@H](C)C1CCCCC1 34a_100025707633_100000210202 [0,1,0,1,0,0|1,0,1]=4 8730 B11R1.16 CN(CC=O)C1CCCCC1 2230a_100000207522_200015260668 [0,1,0,1,0,0|2,0,0]=4 8731 B11R1.16 CN(CC=O)C1CCCCC1 269982a_100000207522_200015260668 [0,1,0,1,0,0|2,0,0]=4 8732 B11R1.16 CN(CC=O)C1CCCCC1 34a_100000207522_200009817547 [0,1,0,1,0,0|2,0,0]=4 8733 B11R1.16 C[C@@H](NCF)C1CCCCC1 34a_100025707633_100015361967 [0,1,0,1,0,0|1,0,1]=4 8734 B11R1.24 CC1CCCC(C1)NCC=O 2230a_100011194320_200015260668 [0,1,0,1,0,0|2,0,0]=4 8735 B11R1.24 CC1CCCC(C1)NCC=O 34a_100011194320_200009817547 [0,1,0,1,0,0|2,0,0]=4 8736 B11R1.24 CC1CCCC(C1)OCC=O 34a_100000211399_200009817547 [0,1,0,1,0,0|2,0,0]=4 8737 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,1,0,1,0,0|1,0,0]=3 8738 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,1,0,0|2,0,0]=4 8739 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,1,0,1,0,0|1,0,0]=3 8740 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,1,0,1,0,0|1,0,0]=3 8741 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,1,0,1,0,0|2,0,0]=4 8742 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,1,0,1,0,0|1,0,0]=3 8743 B11R1.24 CCNCC1CCCC(C1)O 2230a_100011254705_100000210202 [0,1,0,1,0,0|1,0,1]=4 8744 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,1,0,1,0,0|2,0,0]=4 8745 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,1,0,1,0,0|1,0,0]=3 8746 B11R1.24 COCCN1CCNC(=O)C1 2230a_100000184651_100011201679 [0,1,0,1,0,0|2,0,0]=4 8747 B11R1.24 COCNC1CCNC(=O)C1 2230a_100016994916_100000766300 [0,1,0,1,0,0|2,0,0]=4 8748 B11R1.24 CSCCN1CCNC(=O)C1 2230a_100000184651_100000751147 [0,1,0,1,0,0|2,0,0]=4 8749 B11R1.24 CSCNC1CCNC(=O)C1 2230a_100016994916_100011218213 [0,1,0,1,0,0|2,0,0]=4 8750 B11R1.24 CSCNC1CCNC(=O)C1 34a_100016994916_100011218213 [0,1,0,1,0,0|2,0,0]=4 8751 B11R1.24 CSCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218213 [0,1,0,1,0,0|2,0,0]=4 8752 B11R1.24 O=C1CC(CCN1)COCF 34a_100009886756_100015361967 [0,1,0,1,0,0|2,0,0]=4 8753 B11R1.24 O=C1CC(CCN1)NCCF 2230a_100016994916_100011217306 [0,1,0,1,0,0|2,0,0]=4 8754 B11R1.24 O=C1CC(CCN1)NCCF 34a_100016994916_100011217306 [0,1,0,1,0,0|2,0,0]=4 8755 B11R1.24 O=C1CC(CCN1)NCCO 2230a_100016994916_100000211926 [0,1,0,1,0,0|2,0,0]=4 8756 B11R1.24 O=C1CC(CCN1)NCCO 34a_100016994916_100000211926 [0,1,0,1,0,0|2,0,0]=4 8757 B11R1.24 O=C1CN(CCN1)CCCF 2230a_100000184651_100011934791 [0,1,0,1,0,0|2,0,0]=4 8758 B11R1.24 O=C1CN(CCN1)CCCO 2230a_100000184651_100000230001 [0,1,0,1,0,0|2,0,0]=4 8759 B11R1.24 O=C1C[C@@H](CCN1)OCCF 34a_100015189427_100011217306 [0,1,0,1,0,0|2,0,0]=4 8760 B11R1.24 O=C1C[C@@H](CCN1)OCCO 34a_100015189427_100000211926 [0,1,0,1,0,0|2,0,0]=4 8761 B11R1.24 O=CCNC1CCCC(C1)O 2230a_100015190357_200015260668 [0,1,0,1,0,0|2,0,0]=4 8762 B11R1.30 CCNC(C)CC1CCCC1 270004a_100015525214_100000692464 [0,1,0,1,0,0|1,0,1]=4 8763 B11R1.78 CC1CN(C1)CCCCC=O 2230a_100000702820_100000139335 [0,1,0,1,0,0|2,0,0]=4 8764 B11R1.78 CC1CN(C1)CCCCC=O 269982a_100000702820_100000139335 [0,1,0,1,0,0|2,0,0]=4 8765 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [0,1,0,1,0,0|2,0,0]=4 8766 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [0,1,0,1,0,0|2,0,0]=4 8767 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [0,1,0,1,0,0|2,0,0]=4 8768 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [0,1,0,1,0,0|2,0,0]=4 8769 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [0,1,0,1,0,0|2,0,0]=4 8770 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [0,1,0,1,0,0|2,0,0]=4 8771 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [0,1,0,1,0,0|2,0,0]=4 8772 B11R1.78 O=CCCCCN1CC(C1)F 2230a_100000690557_100000139335 [0,1,0,1,0,0|2,0,0]=4 8773 B11R1.78 O=CCCCCN1CC(C1)F 269982a_100000690557_100000139335 [0,1,0,1,0,0|2,0,0]=4 8774 B11R1.78 O=CCCCCN1CC(C1)O 269982a_100000749847_100000139335 [0,1,0,1,0,0|2,0,0]=4 8775 B11R1.78 O=CCCCNC1CC(C1)F 2230a_100016993743_200011292268 [0,1,0,1,0,0|2,0,0]=4 8776 B11R1.78 O=CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_200011292268 [0,1,0,1,0,0|2,0,0]=4 8777 B11R1.81 CCNC1CCC(=O)NC1=O 2230a_100000691121_100000210202 [0,1,0,1,0,0|1,0,1]=4 8778 B11R1.81 CCNC1CCC(=O)NC1=O 2230a_100015525214_100000694648 [0,1,0,1,0,0|1,0,1]=4 8779 B11R1.81 CCNC1CCC(=O)NC1=O 34a_100000691121_100000210202 [0,1,0,1,0,0|1,0,1]=4 8780 B11R1.81 CCSC1CCC(=O)NC1=O 62a_100000210202_100000694648 [0,1,0,1,0,0|1,0,1]=4 8781 B11R1.81 CCSC1CCC(=O)NC1=O 62a_100000694648_100000210202 [0,1,0,1,0,0|1,0,1]=4 8782 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,1,0,1,0,0|1,0,0]=3 8783 B11R1.110 COCN1CCCNC(=O)C1 2230a_100015190381_100000766300 [0,1,0,1,0,0|2,0,0]=4 8784 B11R1.110 CSCN1CCCNC(=O)C1 2230a_100015190381_100011218213 [0,1,0,1,0,0|2,0,0]=4 8785 B11R1.110 O=C1CN(CCCN1)CCF 2230a_100015190381_100011217306 [0,1,0,1,0,0|2,0,0]=4 8786 B11R1.110 O=C1CN(CCCN1)CCO 2230a_100015190381_100000211926 [0,1,0,1,0,0|2,0,0]=4 8787 B11R1.110 O=CCN1CCCCC(C1)O 2230a_100025706797_200015260668 [0,1,0,1,0,0|2,0,0]=4 8788 B11R1.110 O=CCN1CCCCC(C1)O 269982a_100025706797_200015260668 [0,1,0,1,0,0|2,0,0]=4 8789 B11R1.117 C#CCN1CCCCCCC1 2230a_100000211400_100000038162 [0,1,0,1,0,0|1,0,1]=4 8790 B11R1.117 C#CCN1CCCCCCC1 34a_100000211400_100000184674 [0,1,0,1,0,0|1,0,1]=4 8791 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [0,1,0,1,0,0|1,0,0]=3 8792 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [0,1,0,1,0,0|1,0,0]=3 8793 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [0,1,0,1,0,0|1,0,0]=3 8794 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [0,1,0,1,0,0|1,0,1]=4 8795 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [0,1,0,1,0,0|1,0,1]=4 8796 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [0,1,0,1,0,0|1,0,1]=4 8797 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [0,1,0,1,0,0|1,0,1]=4 8798 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [0,1,0,1,0,0|1,0,1]=4 8799 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [0,1,0,1,0,0|1,0,1]=4 8800 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,1,0,1,0,0|2,0,0]=4 8801 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [0,1,0,1,0,0|0,0,2]=4 8802 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [0,1,0,1,0,0|0,0,2]=4 8803 B11R1.117 CSCN1CCCCCCC1 2230a_100000211400_100011218213 [0,1,0,1,0,0|0,1,1]=4 8804 B11R1.117 CSCN1CCCCCCC1 269982a_100000211400_100011218213 [0,1,0,1,0,0|0,1,1]=4 8805 B11R1.117 CSCN1CCCCCCC1 34a_100000211400_100011218213 [0,1,0,1,0,0|0,1,1]=4 8806 B11R1.117 FCCN1CCCCCCC1 2230a_100000211400_100011217306 [0,1,0,1,0,0|1,0,1]=4 8807 B11R1.117 FCCN1CCCCCCC1 269982a_100000211400_100011217306 [0,1,0,1,0,0|1,0,1]=4 8808 B11R1.117 FCCN1CCCCCCC1 34a_100000211400_100011217306 [0,1,0,1,0,0|1,0,1]=4 8809 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [0,1,0,1,0,0|1,0,1]=4 8810 B11R1.117 N#CCN1CCCCCCC1 2230a_100000211400_100011215382 [0,1,0,1,0,0|1,0,1]=4 8811 B11R1.117 N#CCN1CCCCCCC1 269982a_100000211400_100011214920 [0,1,0,1,0,0|1,0,1]=4 8812 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [0,1,0,1,0,0|0,0,0]=2 8813 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [0,1,0,1,0,0|0,0,0]=2 8814 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [0,1,0,1,0,0|0,0,0]=2 8815 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 8816 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 8817 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 8818 B11R1.127 CCCC1CCC(C1)NCC 270004a_100015525214_200012087856 [0,1,0,1,0,0|1,0,1]=4 8819 B11R1.135 CC1CCCN(CC1)CC=O 2230a_100025706717_200015260668 [0,1,0,1,0,0|2,0,0]=4 8820 B11R1.135 CC1CCCN(CC1)CC=O 269982a_100025706717_200015260668 [0,1,0,1,0,0|2,0,0]=4 8821 B11R1.135 CC1CCCN(CC1)CC=O 34a_100025706717_200009817547 [0,1,0,1,0,0|2,0,0]=4 8822 B11R1.135 O=CCN1CCCC(CC1)O 2230a_100015186869_200015260668 [0,1,0,1,0,0|2,0,0]=4 8823 B11R1.135 O=CCN1CCCC(CC1)O 269982a_100015186869_200015260668 [0,1,0,1,0,0|2,0,0]=4 8824 B11R1.180 C#CCCNC1CCNC1=O 2230a_100016995588_100000688953 [0,1,0,1,0,0|0,0,2]=4 8825 B11R1.180 C#CCCNC1CCNC1=O 34a_100016995588_100000688953 [0,1,0,1,0,0|0,0,2]=4 8826 B11R1.180 C#CCCO[C@H]1CCNC1=O 34a_100000688343_100000688953 [0,1,0,1,0,0|0,0,2]=4 8827 B11R1.180 C#CCOCC1CCNC1=O 34a_100000133458_100000184674 [0,1,0,1,0,0|0,0,2]=4 8828 B11R1.180 C/C=C/CNC1CCNC1=O 34a_100016995588_100102629194 [0,1,0,1,0,0|0,0,2]=4 8829 B11R1.180 C/C=C/COC1CCCC1C 34a_100011216460_100102629194 [0,1,0,1,0,0|2,0,0]=4 8830 B11R1.180 C/C=C/COC1CCCC1C 7a_100011216460_100102629194 [0,1,0,1,0,0|2,0,0]=4 8831 B11R1.180 C/C=C/CO[C@H]1CCNC1=O 34a_100000688343_100102629194 [0,1,0,1,0,0|0,0,2]=4 8832 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [0,1,0,1,0,0|2,0,0]=4 8833 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [0,1,0,1,0,0|2,0,0]=4 8834 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [0,1,0,1,0,0|2,0,0]=4 8835 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [0,1,0,1,0,0|2,0,0]=4 8836 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [0,1,0,1,0,0|2,0,0]=4 8837 B11R1.180 C=CCCNC1CCCC1C 269862a_100015191253_100000752053 [0,1,0,1,0,0|2,0,0]=4 8838 B11R1.180 C=CCCNC1CCNC1=O 2230a_100016995588_100000754431 [0,1,0,1,0,0|0,0,2]=4 8839 B11R1.180 C=CCCNC1CCNC1=O 34a_100016995588_100000754431 [0,1,0,1,0,0|0,0,2]=4 8840 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [0,1,0,1,0,0|2,0,0]=4 8841 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [0,1,0,1,0,0|2,0,0]=4 8842 B11R1.180 C=CCCO[C@H]1CCNC1=O 34a_100000688343_100000754431 [0,1,0,1,0,0|0,0,2]=4 8843 B11R1.180 C=CCOCC1CCNC1=O 34a_100000133458_100015514636 [0,1,0,1,0,0|0,0,2]=4 8844 B11R1.180 C=COCCN1CCC[C@@H]1C 2230a_100020605311_100000039644 [0,1,0,1,0,0|2,0,0]=4 8845 B11R1.180 C=COCCN1CCC[C@@H]1C 269982a_100020605311_100000039644 [0,1,0,1,0,0|2,0,0]=4 8846 B11R1.180 C=COCCN1CCC[C@H]1C 2230a_100015189458_100000039644 [0,1,0,1,0,0|2,0,0]=4 8847 B11R1.180 C=COCCN1CCC[C@H]1C 269982a_100015189458_100000039644 [0,1,0,1,0,0|2,0,0]=4 8848 B11R1.180 C=COCCN1CCC[C@H]1C 34a_100015189458_100000039644 [0,1,0,1,0,0|2,0,0]=4 8849 B11R1.180 CC#CCNC1CCNC1=O 2230a_100016995588_100000748600 [0,1,0,1,0,0|0,0,2]=4 8850 B11R1.180 CC#CCNC1CCNC1=O 34a_100016995588_100000748600 [0,1,0,1,0,0|0,0,2]=4 8851 B11R1.180 CC#CCO[C@H]1CCNC1=O 34a_100000688343_100000748600 [0,1,0,1,0,0|0,0,2]=4 8852 B11R1.180 CC1SCCN1CCCC=O 2230a_200011216479_200011292268 [0,1,0,1,0,0|2,0,0]=4 8853 B11R1.180 CC1SCCN1CCCC=O 269982a_200011216479_200011292268 [0,1,0,1,0,0|2,0,0]=4 8854 B11R1.180 CC=CCNC1CCNC1=O 2230a_100016995588_100000070051 [0,1,0,1,0,0|0,0,2]=4 8855 B11R1.180 CC=CCNC1CCNC1=O 34a_100016995588_100000070051 [0,1,0,1,0,0|0,0,2]=4 8856 B11R1.180 CC=CCOC1CCCC1C 34a_100011216460_100000070051 [0,1,0,1,0,0|2,0,0]=4 8857 B11R1.180 CC=CCOC1CCCC1C 7a_100011216460_100000070051 [0,1,0,1,0,0|2,0,0]=4 8858 B11R1.180 CC=CCO[C@H]1CCNC1=O 34a_100000688343_100000070051 [0,1,0,1,0,0|0,0,2]=4 8859 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,1,0,1,0,0|1,0,0]=3 8860 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,1,0,1,0,0|1,0,0]=3 8861 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [0,1,0,1,0,0|0,0,0]=2 8862 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [0,1,0,1,0,0|0,0,0]=2 8863 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,1,0,1,0,0|1,0,0]=3 8864 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,1,0,1,0,0|1,0,0]=3 8865 B11R1.180 CCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210211 [0,1,0,1,0,0|1,0,0]=3 8866 B11R1.180 CCCCN[C@@H]1CONC1=O 34a_100000765999_100000210210 [0,1,0,1,0,0|1,0,0]=3 8867 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,1,0,1,0,0|1,0,0]=3 8868 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,1,0,1,0,0|1,0,0]=3 8869 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,1,0,1,0,0|1,0,0]=3 8870 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,1,0,1,0,0|1,0,0]=3 8871 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,1,0,1,0,0|1,0,0]=3 8872 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,1,0,1,0,0|0,0,0]=2 8873 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,1,0,1,0,0|1,0,0]=3 8874 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,1,0,1,0,0|1,0,0]=3 8875 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,1,0,1,0,0|1,0,0]=3 8876 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,1,0,1,0,0|1,0,0]=3 8877 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,1,0,1,0,0|0,0,0]=2 8878 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [0,1,0,1,0,0|2,0,0]=4 8879 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [0,1,0,1,0,0|2,0,0]=4 8880 B11R1.180 CCNCCC1CCCN1C 2230a_100015525214_100000005710 [0,1,0,1,0,0|1,0,1]=4 8881 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [0,1,0,1,0,0|2,0,0]=4 8882 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [0,1,0,1,0,0|2,0,0]=4 8883 B11R1.180 CCNCCN1CCNC1=O 2230a_100011207550_100000210202 [0,1,0,1,0,0|1,0,0]=3 8884 B11R1.180 CCNCCN1CCNC1=O 2230a_100015525214_100000090651 [0,1,0,1,0,0|1,0,0]=3 8885 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [0,1,0,1,0,0|2,0,0]=4 8886 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [0,1,0,1,0,0|2,0,0]=4 8887 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [0,1,0,1,0,0|2,0,0]=4 8888 B11R1.180 CCOCCN1CCNC1=O 34a_100000216532_100000210202 [0,1,0,1,0,0|1,0,0]=3 8889 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [0,1,0,1,0,0|2,0,0]=4 8890 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [0,1,0,1,0,0|2,0,0]=4 8891 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [0,1,0,1,0,0|2,0,0]=4 8892 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [0,1,0,1,0,0|2,0,0]=4 8893 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [0,1,0,1,0,0|2,0,0]=4 8894 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [0,1,0,1,0,0|2,0,0]=4 8895 B11R1.180 CCSCCN1CCNC1=O 62a_100000090651_100000210202 [0,1,0,1,0,0|1,0,0]=3 8896 B11R1.180 CCSCCN1CCNC1=O 62a_100000210202_100000090651 [0,1,0,1,0,0|1,0,0]=3 8897 B11R1.180 CN1CCCC1COCC=O 34a_100000743107_200009817547 [0,1,0,1,0,0|2,0,0]=4 8898 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [0,1,0,1,0,0|2,0,0]=4 8899 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [0,1,0,1,0,0|2,0,0]=4 8900 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [0,1,0,1,0,0|2,0,0]=4 8901 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [0,1,0,1,0,0|2,0,0]=4 8902 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [0,1,0,1,0,0|2,0,0]=4 8903 B11R1.180 COCCNC1CCNC1=O 2230a_100016995588_100011201679 [0,1,0,1,0,0|1,0,0]=3 8904 B11R1.180 COCCNC1CCNC1=O 34a_100016995588_100011201679 [0,1,0,1,0,0|1,0,0]=3 8905 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [0,1,0,1,0,0|2,0,0]=4 8906 B11R1.180 COCCN[C@@H]1CONC1=O 2230a_100000765999_100011201679 [0,1,0,1,0,0|2,0,0]=4 8907 B11R1.180 COCCN[C@@H]1CONC1=O 34a_100000765999_100011201679 [0,1,0,1,0,0|2,0,0]=4 8908 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,1,0,1,0,0|2,0,0]=4 8909 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,1,0,1,0,0|2,0,0]=4 8910 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [0,1,0,1,0,0|2,0,0]=4 8911 B11R1.180 COCCO[C@H]1CCNC1=O 34a_100000688343_100011201679 [0,1,0,1,0,0|1,0,0]=3 8912 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [0,1,0,1,0,0|2,0,0]=4 8913 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [0,1,0,1,0,0|2,0,0]=4 8914 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [0,1,0,1,0,0|2,0,0]=4 8915 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [0,1,0,1,0,0|2,0,0]=4 8916 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [0,1,0,1,0,0|2,0,0]=4 8917 B11R1.180 CSCCNC1CCNC1=O 2230a_100016995588_100000751147 [0,1,0,1,0,0|1,0,0]=3 8918 B11R1.180 CSCCNC1CCNC1=O 34a_100016995588_100000212216 [0,1,0,1,0,0|1,0,0]=3 8919 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [0,1,0,1,0,0|2,0,0]=4 8920 B11R1.180 CSCCN[C@@H]1CONC1=O 2230a_100000765999_100000751147 [0,1,0,1,0,0|2,0,0]=4 8921 B11R1.180 CSCCN[C@@H]1CONC1=O 34a_100000765999_100000212216 [0,1,0,1,0,0|2,0,0]=4 8922 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,1,0,1,0,0|2,0,0]=4 8923 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,1,0,1,0,0|2,0,0]=4 8924 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,1,0,1,0,0|2,0,0]=4 8925 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [0,1,0,1,0,0|2,0,0]=4 8926 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [0,1,0,1,0,0|2,0,0]=4 8927 B11R1.180 CSCCO[C@H]1CCNC1=O 34a_100000688343_100000212216 [0,1,0,1,0,0|1,0,0]=3 8928 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [0,1,0,1,0,0|2,0,0]=4 8929 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [0,1,0,1,0,0|2,0,0]=4 8930 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [0,1,0,1,0,0|2,0,0]=4 8931 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [0,1,0,1,0,0|2,0,0]=4 8932 B11R1.180 CSCOCC1CCNC1=O 34a_100000133458_100011218213 [0,1,0,1,0,0|1,0,0]=3 8933 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [0,1,0,1,0,0|1,0,0]=3 8934 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [0,1,0,1,0,0|1,0,0]=3 8935 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [0,1,0,1,0,0|1,0,0]=3 8936 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [0,1,0,1,0,0|1,0,0]=3 8937 B11R1.180 N#CCCNC1CCNC1=O 2230a_100016995588_100011215226 [0,1,0,1,0,0|1,0,1]=4 8938 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,1,0,1,0,0|2,0,0]=4 8939 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,1,0,1,0,0|2,0,0]=4 8940 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [0,1,0,1,0,0|2,0,0]=4 8941 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [0,1,0,1,0,0|2,0,0]=4 8942 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,1,0,1,0,0|2,0,0]=4 8943 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,1,0,1,0,0|2,0,0]=4 8944 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,1,0,1,0,0|2,0,0]=4 8945 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,1,0,1,0,0|2,0,0]=4 8946 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,1,0,1,0,0|2,0,0]=4 8947 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [0,1,0,1,0,0|2,0,0]=4 8948 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [0,1,0,1,0,0|2,0,0]=4 8949 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,1,0,1,0,0|2,0,0]=4 8950 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,1,0,1,0,0|2,0,0]=4 8951 B11R1.180 O=C1NCCC1COCCF 34a_100000133458_100011217306 [0,1,0,1,0,0|1,0,0]=3 8952 B11R1.180 O=C1NCCC1COCCO 34a_100000133458_100000211926 [0,1,0,1,0,0|1,0,0]=3 8953 B11R1.180 O=C1NCCC1NCCCF 2230a_100016995588_100011934791 [0,1,0,1,0,0|1,0,0]=3 8954 B11R1.180 O=C1NCCC1NCCCF 34a_100016995588_100011934791 [0,1,0,1,0,0|1,0,0]=3 8955 B11R1.180 O=C1NCCC1NCCCO 2230a_100016995588_100000230001 [0,1,0,1,0,0|1,0,0]=3 8956 B11R1.180 O=C1NCCC1NCCCO 34a_100016995588_100000230001 [0,1,0,1,0,0|1,0,0]=3 8957 B11R1.180 O=C1NCCN1CCOCF 34a_100000216532_100015361967 [0,1,0,1,0,0|2,0,0]=4 8958 B11R1.180 O=C1NCCN1CCSCF 62a_100000090651_100015361967 [0,1,0,1,0,0|2,0,0]=4 8959 B11R1.180 O=C1NCCN1CCSCF 62a_100015361967_100000090651 [0,1,0,1,0,0|2,0,0]=4 8960 B11R1.180 O=C1NCC[C@@H]1OCCCF 34a_100000688343_100011934791 [0,1,0,1,0,0|1,0,0]=3 8961 B11R1.180 O=C1NCC[C@@H]1OCCCO 34a_100000688343_100000230001 [0,1,0,1,0,0|1,0,0]=3 8962 B11R1.180 O=C1NOC[C@H]1NCCCF 2230a_100000765999_100011934791 [0,1,0,1,0,0|2,0,0]=4 8963 B11R1.180 O=C1NOC[C@H]1NCCCF 34a_100000765999_100011934791 [0,1,0,1,0,0|2,0,0]=4 8964 B11R1.180 O=C1NOC[C@H]1NCCCO 2230a_100000765999_100000230001 [0,1,0,1,0,0|2,0,0]=4 8965 B11R1.180 O=C1NOC[C@H]1NCCCO 34a_100000765999_100000230001 [0,1,0,1,0,0|2,0,0]=4 8966 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,1,0,1,0,0|2,0,0]=4 8967 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,1,0,1,0,0|2,0,0]=4 8968 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,1,0,1,0,0|2,0,0]=4 8969 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,1,0,1,0,0|2,0,0]=4 8970 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,1,0,1,0,0|2,0,0]=4 8971 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,1,0,1,0,0|2,0,0]=4 8972 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,1,0,1,0,0|2,0,0]=4 8973 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,1,0,1,0,0|2,0,0]=4 8974 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,1,0,1,0,0|2,0,0]=4 8975 B11R1.180 O=CCOCC1CCNC1=O 34a_100000133458_200009817547 [0,1,0,1,0,0|1,0,1]=4 8976 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [0,1,0,1,0,0|2,0,0]=4 8977 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [0,1,0,1,0,0|2,0,0]=4 8978 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [0,1,0,1,0,0|2,0,0]=4 8979 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [0,1,0,1,0,0|2,0,0]=4 8980 B11R1.189 CCNC1CCCC(C1)CC 270004a_100015525214_100000756783 [0,1,0,1,0,0|1,0,1]=4 8981 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,1,0,1,0,0|1,0,1]=4 8982 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,1,0,1,0,0|1,0,1]=4 8983 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [0,1,0,1,0,0|2,0,0]=4 8984 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [0,1,0,1,0,0|2,0,0]=4 8985 B11R1.199 CCCN(C)C1CCOC1=O 2230a_100000747261_100000211211 [0,1,0,1,0,0|2,0,0]=4 8986 B11R1.199 CCCN(C)C1CCOC1=O 269982a_100000747261_100000211211 [0,1,0,1,0,0|2,0,0]=4 8987 B11R1.230 CCCNC1CC(=O)NC1=O 2230a_100102712934_100000210303 [0,1,0,1,0,0|1,0,1]=4 8988 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,1,0,1,0,0|2,0,0]=4 8989 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,1,0,1,0,0|2,0,0]=4 8990 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,1,0,1,0,0|2,0,0]=4 8991 B11R1.291 CCCC(C)OC1CCC1=O 34a_100000764384_100009892977 [0,1,0,1,0,0|2,0,0]=4 8992 B11R1.291 CCCC(C)OC1CCC1=O 7a_100000764384_100009892977 [0,1,0,1,0,0|2,0,0]=4 8993 B11R1.291 CCCC(C)SC1CCC1=O 62a_100000766640_100009892977 [0,1,0,1,0,0|2,0,0]=4 8994 B11R1.291 CCCC(C)SC1CCC1=O 62a_100009892977_100000766640 [0,1,0,1,0,0|2,0,0]=4 8995 B11R1.356 CC(NCCCC=O)C1CC1 2230a_100000700016_200011292268 [0,1,0,1,0,0|2,0,0]=4 8996 B11R1.356 CC(OCCCC=O)C1CC1 7a_100000744524_200011292268 [0,1,0,1,0,0|2,0,0]=4 8997 B11R1.356 CN(CCCCC=O)C1CC1 2230a_100000226674_100000139335 [0,1,0,1,0,0|2,0,0]=4 8998 B11R1.356 CN(CCCCC=O)C1CC1 269982a_100000226674_100000139335 [0,1,0,1,0,0|2,0,0]=4 8999 B11R1.779 CC1(CCCCCC1)NCF 34a_100000704638_100015361967 [0,1,0,1,0,0|1,0,1]=4 9000 B11R1.779 CCNC1(CCCCCC1)C 2230a_100000704638_100000210202 [0,1,0,1,0,0|1,0,1]=4 9001 B11R1.779 CCNC1(CCCCCC1)C 34a_100000704638_100000210202 [0,1,0,1,0,0|1,0,1]=4 9002 B11R1.899 CC1(CCC1)NCCCC=O 2230a_100000692455_200011292268 [0,1,0,1,0,0|2,0,0]=4 9003 B11R1.899 CC1(CCC1)OCCCC=O 7a_100000759064_200011292268 [0,1,0,1,0,0|2,0,0]=4 9004 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,1,0,1,0,0|1,0,0]=3 9005 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,1,0,1,0,0|1,0,0]=3 9006 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,1,0,1,0,0|2,0,0]=4 9007 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,1,0,1,0,0|1,0,0]=3 9008 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,1,0,1,0,0|2,0,0]=4 9009 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,1,0,1,0,0|2,0,0]=4 9010 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,1,0,1,0,0|1,0,0]=3 9011 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,1,0,1,0,0|1,0,0]=3 9012 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,1,0,1,0,0|2,0,0]=4 9013 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,1,0,1,0,0|2,0,0]=4 9014 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,1,0,1,0,0|2,0,0]=4 9015 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,1,0,1,0,0|1,0,0]=3 9016 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,1,0,1,0,0|1,0,0]=3 9017 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,1,0,1,0,0|1,0,0]=3 9018 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,1,0,1,0,0|2,0,0]=4 9019 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,1,0,1,0,0|2,0,0]=4 9020 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,1,0,1,0,0|1,0,0]=3 9021 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,1,0,1,0,0|1,0,0]=3 9022 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,1,0,1,0,0|2,0,0]=4 9023 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,1,0,1,0,0|2,0,0]=4 9024 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,1,0,1,0,0|2,0,0]=4 9025 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,1,0,1,0,0|2,0,0]=4 9026 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,1,0,1,0,0|2,0,0]=4 9027 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,1,0,1,0,0|2,0,0]=4 9028 B11R1.27 CCOCCN1CNC(=O)C1 2230a_200000708111_100011215890 [0,1,0,1,0,0|2,0,0]=4 9029 B11R1.27 CCSCCN1CNC(=O)C1 2230a_200000708111_100000757381 [0,1,0,1,0,0|2,0,0]=4 9030 B11R1.27 COCCCN1CNC(=O)C1 2230a_200000708111_100000740836 [0,1,0,1,0,0|2,0,0]=4 9031 B11R1.27 COCCNC1CNC(=O)C1 2230a_100000697751_100011201679 [0,1,0,1,0,0|2,0,0]=4 9032 B11R1.27 COCCOC1CNC(=O)C1 34a_100000690082_100011201679 [0,1,0,1,0,0|2,0,0]=4 9033 B11R1.27 COCNCC1CNC(=O)C1 2230a_100016993742_100000766300 [0,1,0,1,0,0|2,0,0]=4 9034 B11R1.27 COCSCC1CNC(=O)O1 62a_100000181169_100000766300 [0,1,0,1,0,0|2,0,0]=4 9035 B11R1.27 COCSCC1CNC(=O)O1 62a_100000766300_100000181169 [0,1,0,1,0,0|2,0,0]=4 9036 B11R1.27 CSCCNC1CNC(=O)C1 2230a_100000697751_100000751147 [0,1,0,1,0,0|2,0,0]=4 9037 B11R1.27 CSCCOC1CNC(=O)C1 34a_100000690082_100000212216 [0,1,0,1,0,0|2,0,0]=4 9038 B11R1.27 CSCNCC1CNC(=O)C1 2230a_100016993742_100011218213 [0,1,0,1,0,0|2,0,0]=4 9039 B11R1.27 CSCNCC1CNC(=O)C1 34a_100016993742_100011218213 [0,1,0,1,0,0|2,0,0]=4 9040 B11R1.27 CSCOCC1CNC(=O)C1 34a_100016041077_100011218213 [0,1,0,1,0,0|2,0,0]=4 9041 B11R1.27 CSCOCC1CNC(=O)O1 34a_100011315639_100011218213 [0,1,0,1,0,0|2,0,0]=4 9042 B11R1.27 CSCSCC1CNC(=O)O1 62a_100000181169_100011218213 [0,1,0,1,0,0|2,0,0]=4 9043 B11R1.27 CSCSCC1CNC(=O)O1 62a_100011218213_100000181169 [0,1,0,1,0,0|2,0,0]=4 9044 B11R1.27 C[C@@H]1CCN(C1)CCCC=O 2230a_100016987628_200011292268 [0,1,0,1,0,0|2,0,0]=4 9045 B11R1.27 C[C@@H]1CCN(C1)CCCC=O 269982a_100016987628_200011292268 [0,1,0,1,0,0|2,0,0]=4 9046 B11R1.27 NCCOCC1CNC(=O)O1 34a_100000210304_100000181169 [0,1,0,1,0,0|2,0,0]=4 9047 B11R1.27 O=C1CC(CN1)CNCCF 2230a_100016993742_100011217306 [0,1,0,1,0,0|2,0,0]=4 9048 B11R1.27 O=C1CC(CN1)CNCCF 34a_100016993742_100011217306 [0,1,0,1,0,0|2,0,0]=4 9049 B11R1.27 O=C1CC(CN1)CNCCO 2230a_100016993742_100000211926 [0,1,0,1,0,0|2,0,0]=4 9050 B11R1.27 O=C1CC(CN1)CNCCO 34a_100016993742_100000211926 [0,1,0,1,0,0|2,0,0]=4 9051 B11R1.27 O=C1CC(CN1)COCCF 34a_100016041077_100011217306 [0,1,0,1,0,0|2,0,0]=4 9052 B11R1.27 O=C1CC(CN1)COCCO 34a_100016041077_100000211926 [0,1,0,1,0,0|2,0,0]=4 9053 B11R1.27 O=C1CC(CN1)NCCCF 2230a_100000697751_100011934791 [0,1,0,1,0,0|2,0,0]=4 9054 B11R1.27 O=C1CC(CN1)NCCCO 2230a_100000697751_100000230001 [0,1,0,1,0,0|2,0,0]=4 9055 B11R1.27 O=C1CC(CN1)OCCCF 34a_100000690082_100011934791 [0,1,0,1,0,0|2,0,0]=4 9056 B11R1.27 O=C1CC(CN1)OCCCO 34a_100000690082_100000230001 [0,1,0,1,0,0|2,0,0]=4 9057 B11R1.27 O=C1CN(CN1)CCCCF 2230a_200000708111_100000729493 [0,1,0,1,0,0|2,0,0]=4 9058 B11R1.27 O=C1CN(CN1)CCCCO 2230a_200000708111_100000210776 [0,1,0,1,0,0|2,0,0]=4 9059 B11R1.27 O=C1NCC(O1)CNCCF 34a_100000724931_100000181169 [0,1,0,1,0,0|2,0,0]=4 9060 B11R1.27 O=C1NCC(O1)CNCCO 2230a_100016997473_100000181169 [0,1,0,1,0,0|2,0,0]=4 9061 B11R1.27 O=C1NCC(O1)CNCCO 34a_100016990907_100000181169 [0,1,0,1,0,0|2,0,0]=4 9062 B11R1.27 O=C1NCC(O1)COCCBr 34a_100000211926_100000181169 [0,1,0,1,0,0|2,0,0]=4 9063 B11R1.27 O=C1NCC(O1)COCCF 34a_100011315639_100011217306 [0,1,0,1,0,0|2,0,0]=4 9064 B11R1.27 O=C1NCC(O1)COCCO 34a_100011315639_100000211926 [0,1,0,1,0,0|2,0,0]=4 9065 B11R1.27 O=C1NCC(O1)CSCCF 62a_100000181169_100011217306 [0,1,0,1,0,0|2,0,0]=4 9066 B11R1.27 O=C1NCC(O1)CSCCF 62a_100011217306_100000181169 [0,1,0,1,0,0|2,0,0]=4 9067 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000181169_100000211926 [0,1,0,1,0,0|2,0,0]=4 9068 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000211926_100000181169 [0,1,0,1,0,0|2,0,0]=4 9069 B11R1.27 O=CCCCN1CCC(C1)O 2230a_100011215560_200011292268 [0,1,0,1,0,0|2,0,0]=4 9070 B11R1.27 O=CCCCN1CCC(C1)O 269982a_100011215560_200011292268 [0,1,0,1,0,0|2,0,0]=4 9071 B11R1.27 O=CCCCN1CC[C@@H](C1)F 2230a_100015203821_200011292268 [0,1,0,1,0,0|2,0,0]=4 9072 B11R1.27 O=CCCCN1CC[C@@H](C1)F 269982a_100015203821_200011292268 [0,1,0,1,0,0|2,0,0]=4 9073 B11R1.46 C=CCCCOCC1CC1C 34a_100000744939_100000757094 [0,1,0,1,0,0|2,0,0]=4 9074 B11R1.46 C=CCCCOCC1CC1C 7a_100000744939_100000757094 [0,1,0,1,0,0|2,0,0]=4 9075 B11R1.46 C=COCCOCC1CC1C 34a_100000744939_100000039644 [0,1,0,1,0,0|2,0,0]=4 9076 B11R1.46 C=COCCOCC1CC1C 7a_100000744939_100000039644 [0,1,0,1,0,0|2,0,0]=4 9077 B11R1.46 CC1CC1COCCCC=O 7a_100000744939_200011292268 [0,1,0,1,0,0|1,0,0]=3 9078 B11R1.46 O=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139335 [0,1,0,1,0,0|2,0,0]=4 9079 B11R1.46 O=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139335 [0,1,0,1,0,0|2,0,0]=4 9080 B11R1.53 C#CC1CCCCN1C(=O)C 11a_200020621307_100015343762 [0,1,0,1,0,0|0,0,2]=4 9081 B11R1.53 C#CC1CCCCN1C(=O)C 1626a_200020621307_100015343762 [0,1,0,1,0,0|0,0,2]=4 9082 B11R1.53 C#CC1CCCCN1C(=O)C 240690a_200020621307_100015343762 [0,1,0,1,0,0|0,0,2]=4 9083 B11R1.53 C#CC1CCCCN1C(=O)C 527a_200020621307_100103153847 [0,1,0,1,0,0|0,0,2]=4 9084 B11R1.53 CC(=O)N1CCCCC1C#N 11a_100016989756_100015343762 [0,1,0,1,0,0|1,0,1]=4 9085 B11R1.53 CC(=O)N1CCCCC1C#N 1626a_100016989756_100015343762 [0,1,0,1,0,0|1,0,1]=4 9086 B11R1.53 CC(=O)N1CCCCC1C#N 240690a_100016989756_100015343762 [0,1,0,1,0,0|1,0,1]=4 9087 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,1,0,1,0,0|1,0,0]=3 9088 B11R1.53 CC(=O)N1CCOC[C@H]1CO 240690a_100000717676_100015343762 [0,1,0,1,0,0|2,0,0]=4 9089 B11R1.53 CC(C)C1CCCCN1CF 269982a_100000757267_100015361967 [0,1,0,1,0,0|1,0,1]=4 9090 B11R1.53 CC(C)C1CCCCN1CF 34a_100000757267_100015361967 [0,1,0,1,0,0|1,0,1]=4 9091 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,1,0,1,0,0|0,0,0]=2 9092 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,1,0,1,0,0|0,0,0]=2 9093 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,1,0,1,0,0|0,0,0]=2 9094 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,1,0,1,0,0|0,0,0]=2 9095 B11R1.53 CCC1CCCCN1C(C)C 2230a_100000210034_100000210206 [0,1,0,1,0,0|1,0,1]=4 9096 B11R1.53 CCC1CCCCN1C(C)C 269982a_100000210034_100000210206 [0,1,0,1,0,0|1,0,1]=4 9097 B11R1.53 CCC1CCCCN1C(C)C 34a_100000210034_100000210206 [0,1,0,1,0,0|1,0,1]=4 9098 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,1,0,1,0,0|2,0,0]=4 9099 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,1,0,1,0,0|2,0,0]=4 9100 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,1,0,1,0,0|2,0,0]=4 9101 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,1,0,1,0,0|2,0,0]=4 9102 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,1,0,1,0,0|2,0,0]=4 9103 B11R1.53 CCN1CCCCC1C(C)C 2230a_100000757267_100000210202 [0,1,0,1,0,0|1,0,1]=4 9104 B11R1.53 CCN1CCCCC1C(C)C 269982a_100000757267_100000204670 [0,1,0,1,0,0|1,0,1]=4 9105 B11R1.53 CCN1CCCCC1C(C)C 34a_100000757267_100000210202 [0,1,0,1,0,0|1,0,1]=4 9106 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,1,0,1,0,0|2,0,0]=4 9107 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [0,1,0,1,0,0|1,0,0]=3 9108 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [0,1,0,1,0,0|1,0,0]=3 9109 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [0,1,0,1,0,0|1,0,0]=3 9110 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [0,1,0,1,0,0|1,0,0]=3 9111 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,1,0,1,0,0|2,0,0]=4 9112 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,1,0,1,0,0|2,0,0]=4 9113 B11R1.57 CC(C)CC1CCCN1CF 269982a_100000748429_100015361967 [0,1,0,1,0,0|1,0,1]=4 9114 B11R1.57 CC(C)CC1CCCN1CF 34a_100000748429_100015361967 [0,1,0,1,0,0|1,0,1]=4 9115 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [0,1,0,1,0,0|2,0,0]=4 9116 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [0,1,0,1,0,0|2,0,0]=4 9117 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [0,1,0,1,0,0|2,0,0]=4 9118 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [0,1,0,1,0,0|2,0,0]=4 9119 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [0,1,0,1,0,0|2,0,0]=4 9120 B11R1.57 CCN1CCCC1CC(C)C 2230a_100000748429_100000210202 [0,1,0,1,0,0|1,0,1]=4 9121 B11R1.57 CCN1CCCC1CC(C)C 269982a_100000748429_100000204670 [0,1,0,1,0,0|1,0,1]=4 9122 B11R1.57 CCN1CCCC1CC(C)C 34a_100000748429_100000210202 [0,1,0,1,0,0|1,0,1]=4 9123 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,1,0,1,0,0|2,0,0]=4 9124 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,1,0,1,0,0|0,0,0]=2 9125 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,1,0,1,0,0|0,0,0]=2 9126 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,1,0,1,0,0|0,0,0]=2 9127 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,1,0,1,0,0|0,0,0]=2 9128 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [0,1,0,1,0,0|1,0,1]=4 9129 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [0,1,0,1,0,0|1,0,1]=4 9130 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [0,1,0,1,0,0|1,0,1]=4 9131 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [0,1,0,1,0,0|1,0,1]=4 9132 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,1,0,1,0,0|1,0,0]=3 9133 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,1,0,1,0,0|1,0,0]=3 9134 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,1,0,1,0,0|1,0,0]=3 9135 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,1,0,1,0,0|1,0,0]=3 9136 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,1,0,1,0,0|1,0,0]=3 9137 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,1,0,1,0,0|1,0,0]=3 9138 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 11a_100016994285_100015343762 [0,1,0,1,0,0|2,0,0]=4 9139 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 240690a_100016994285_100015343762 [0,1,0,1,0,0|2,0,0]=4 9140 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 527a_100016994285_100103153847 [0,1,0,1,0,0|2,0,0]=4 9141 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 11a_100016994078_100015343762 [0,1,0,1,0,0|2,0,0]=4 9142 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 1626a_100016994078_100015343762 [0,1,0,1,0,0|2,0,0]=4 9143 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 240690a_100016994078_100015343762 [0,1,0,1,0,0|2,0,0]=4 9144 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 527a_100016994078_100103153847 [0,1,0,1,0,0|2,0,0]=4 9145 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 11a_100015739063_100015343762 [0,1,0,1,0,0|2,0,0]=4 9146 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100015343762 [0,1,0,1,0,0|2,0,0]=4 9147 B11R1.86 CC(C)NC1CCCCC1=O 34a_100138425928_100000754470 [0,1,0,1,0,0|2,0,0]=4 9148 B11R1.86 CC(C)NC1CCCCC1C 2230a_100000211402_100000210206 [0,1,0,1,0,0|1,0,1]=4 9149 B11R1.86 CC(C)NC1CCCCC1C 34a_100000211402_100000210206 [0,1,0,1,0,0|1,0,1]=4 9150 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100000747585_100000210206 [0,1,0,1,0,0|1,0,0]=3 9151 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100138425928_100000687798 [0,1,0,1,0,0|1,0,0]=3 9152 B11R1.86 CC(C)NC1CCCNC1=O 34a_100000747585_100000210206 [0,1,0,1,0,0|1,0,0]=3 9153 B11R1.86 CC(C)NC1CCCNC1=O 34a_100138425928_100000687798 [0,1,0,1,0,0|1,0,0]=3 9154 B11R1.86 CC(C)OC1CCCCC1=O 34a_100000212225_100000754470 [0,1,0,1,0,0|2,0,0]=4 9155 B11R1.86 CC(C)OC1CCCCC1=O 34a_100011214950_100000210206 [0,1,0,1,0,0|2,0,0]=4 9156 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000073722_100000210206 [0,1,0,1,0,0|1,0,0]=3 9157 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000212225_100000687798 [0,1,0,1,0,0|1,0,0]=3 9158 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000204591_100000210206 [0,1,0,1,0,0|2,0,0]=4 9159 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000210206_100000204591 [0,1,0,1,0,0|2,0,0]=4 9160 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000210206_100000687798 [0,1,0,1,0,0|1,0,0]=3 9161 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000687798_100000210206 [0,1,0,1,0,0|1,0,0]=3 9162 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,1,0,1,0,0|2,0,0]=4 9163 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,1,0,1,0,0|2,0,0]=4 9164 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,1,0,1,0,0|2,0,0]=4 9165 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,1,0,1,0,0|2,0,0]=4 9166 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,1,0,1,0,0|2,0,0]=4 9167 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [0,1,0,1,0,0|2,0,0]=4 9168 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [0,1,0,1,0,0|2,0,0]=4 9169 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [0,1,0,1,0,0|2,0,0]=4 9170 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [0,1,0,1,0,0|2,0,0]=4 9171 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [0,1,0,1,0,0|2,0,0]=4 9172 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [0,1,0,1,0,0|2,0,0]=4 9173 B11R1.90 C=C(C)CNC1CCNC1=O 2230a_100016995588_100000748629 [0,1,0,1,0,0|1,0,1]=4 9174 B11R1.90 C=C(C)CNC1CCNC1=O 34a_100016995588_100000748629 [0,1,0,1,0,0|1,0,1]=4 9175 B11R1.90 C=C(C)CO[C@H]1CCNC1=O 34a_100000688343_100000748629 [0,1,0,1,0,0|1,0,1]=4 9176 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,1,0,1,0,0|2,0,0]=4 9177 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,1,0,0|1,0,1]=4 9178 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,1,0,1,0,0|2,0,0]=4 9179 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,1,0,1,0,0|2,0,0]=4 9180 B11R1.90 CC(=O)CCN1CCNC1=O 1458a_100000070787_100000090651 [0,1,0,1,0,0|1,0,1]=4 9181 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [0,1,0,1,0,0|1,0,0]=3 9182 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [0,1,0,1,0,0|1,0,0]=3 9183 B11R1.90 CC(=O)NN=C1CCCC1C 4a_100000189765_100000752053 [0,1,0,1,0,0|1,0,1]=4 9184 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [0,1,0,1,0,0|2,0,0]=4 9185 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [0,1,0,1,0,0|2,0,0]=4 9186 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [0,1,0,1,0,0|2,0,0]=4 9187 B11R1.90 CC(Br)COC1CCCC1=O 34a_100012180447_100000709159 [0,1,0,1,0,0|2,0,0]=4 9188 B11R1.90 CC(Br)COC1CCOC1=O 34a_100012180447_100000211211 [0,1,0,1,0,0|2,0,0]=4 9189 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [0,1,0,1,0,0|2,0,0]=4 9190 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [0,1,0,1,0,0|2,0,0]=4 9191 B11R1.90 CC(C)CNC1CCNC1=O 2230a_100016995588_100000210760 [0,1,0,1,0,0|1,0,0]=3 9192 B11R1.90 CC(C)CNC1CCNC1=O 270004a_100016995588_100000210432 [0,1,0,1,0,0|1,0,0]=3 9193 B11R1.90 CC(C)CNC1CCNC1=O 34a_100016995588_100000210624 [0,1,0,1,0,0|1,0,0]=3 9194 B11R1.90 CC(C)CNC1CCOC1=O 2230a_100000210953_100000211211 [0,1,0,1,0,0|2,0,0]=4 9195 B11R1.90 CC(C)CNC1CCOC1=O 34a_100000210953_100000211211 [0,1,0,1,0,0|2,0,0]=4 9196 B11R1.90 CC(C)CN[C@@H]1CONC1=O 2230a_100000765999_100000210760 [0,1,0,1,0,0|2,0,0]=4 9197 B11R1.90 CC(C)CN[C@@H]1CONC1=O 270004a_100000765999_100000210432 [0,1,0,1,0,0|2,0,0]=4 9198 B11R1.90 CC(C)CN[C@@H]1CONC1=O 34a_100000765999_100000210624 [0,1,0,1,0,0|2,0,0]=4 9199 B11R1.90 CC(C)COC1CCCC1=O 34a_100000210257_100000709159 [0,1,0,1,0,0|2,0,0]=4 9200 B11R1.90 CC(C)COC1CCCC1=O 34a_200000719330_100000210624 [0,1,0,1,0,0|2,0,0]=4 9201 B11R1.90 CC(C)COC1CCOC1=O 34a_100000210257_100000211211 [0,1,0,1,0,0|2,0,0]=4 9202 B11R1.90 CC(C)CO[C@H]1CCNC1=O 34a_100000688343_100000210624 [0,1,0,1,0,0|1,0,0]=3 9203 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000210624_100000211823 [0,1,0,1,0,0|2,0,0]=4 9204 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000211823_100000210760 [0,1,0,1,0,0|2,0,0]=4 9205 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000210624_100000211211 [0,1,0,1,0,0|2,0,0]=4 9206 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000211211_100000210760 [0,1,0,1,0,0|2,0,0]=4 9207 B11R1.90 CC(C)OCC1CCNC1=O 34a_100000133458_100000210206 [0,1,0,1,0,0|1,0,0]=3 9208 B11R1.90 CC(F)COC1CCCC1=O 34a_100015925927_100000709159 [0,1,0,1,0,0|2,0,0]=4 9209 B11R1.90 CC(F)COC1CCOC1=O 34a_100015925927_100000211211 [0,1,0,1,0,0|2,0,0]=4 9210 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [0,1,0,1,0,0|2,0,0]=4 9211 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [0,1,0,1,0,0|2,0,0]=4 9212 B11R1.90 CC(O)CNC1CCNC1=O 2230a_100016995588_100011218427 [0,1,0,1,0,0|1,0,0]=3 9213 B11R1.90 CC(O)CNC1CCNC1=O 34a_100016995588_100011218427 [0,1,0,1,0,0|1,0,0]=3 9214 B11R1.90 CC(O)CNC1CCOC1=O 2230a_100000210904_100000211211 [0,1,0,1,0,0|2,0,0]=4 9215 B11R1.90 CC(O)CNC1CCOC1=O 34a_100000210904_100000211211 [0,1,0,1,0,0|2,0,0]=4 9216 B11R1.90 CC(O)CN[C@@H]1CONC1=O 2230a_100000765999_100011218427 [0,1,0,1,0,0|2,0,0]=4 9217 B11R1.90 CC(O)CN[C@@H]1CONC1=O 34a_100000765999_100011218427 [0,1,0,1,0,0|2,0,0]=4 9218 B11R1.90 CC(O)COC1CCCC1=O 34a_200000719330_100011218427 [0,1,0,1,0,0|2,0,0]=4 9219 B11R1.90 CC(O)CO[C@H]1CCNC1=O 34a_100000688343_100011218427 [0,1,0,1,0,0|1,0,0]=3 9220 B11R1.90 CC(O)CSC1CCCC1=O 62a_100000211823_100011218427 [0,1,0,1,0,0|2,0,0]=4 9221 B11R1.90 CC(O)CSC1CCCC1=O 62a_100011218427_100000211823 [0,1,0,1,0,0|2,0,0]=4 9222 B11R1.90 CC(O)CSC1CCOC1=O 62a_100000211211_100011218427 [0,1,0,1,0,0|2,0,0]=4 9223 B11R1.90 CC(O)CSC1CCOC1=O 62a_100011218427_100000211211 [0,1,0,1,0,0|2,0,0]=4 9224 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [0,1,0,1,0,0|2,0,0]=4 9225 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [0,1,0,1,0,0|2,0,0]=4 9226 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [0,1,0,1,0,0|2,0,0]=4 9227 B11R1.90 CN(C)CCN1CCNC1=O 2230a_100102631434_100000090651 [0,1,0,1,0,0|2,0,0]=4 9228 B11R1.90 CN(C)CCN1CCNC1=O 269982a_100102631434_100000090651 [0,1,0,1,0,0|2,0,0]=4 9229 B11R1.90 C[C@@H](Cl)COC1CCCC1=O 34a_100016084084_100000709159 [0,1,0,1,0,0|2,0,0]=4 9230 B11R1.90 C[C@@H](Cl)COC1CCOC1=O 34a_100016084084_100000211211 [0,1,0,1,0,0|2,0,0]=4 9231 B11R1.90 C[C@@H](N)COC1CCCC1=O 34a_100000737577_100000709159 [0,1,0,1,0,0|2,0,0]=4 9232 B11R1.90 C[C@@H](N)COC1CCOC1=O 34a_100000737577_100000211211 [0,1,0,1,0,0|2,0,0]=4 9233 B11R1.90 C[C@@H](O)CNC1CCNC1=O 2230a_100016995588_100009817552 [0,1,0,1,0,0|1,0,0]=3 9234 B11R1.90 C[C@@H](O)CNC1CCNC1=O 34a_100016995588_100009817552 [0,1,0,1,0,0|1,0,0]=3 9235 B11R1.90 C[C@@H](O)CN[C@@H]1CONC1=O 2230a_100000765999_100009817552 [0,1,0,1,0,0|2,0,0]=4 9236 B11R1.90 C[C@@H](O)CN[C@@H]1CONC1=O 34a_100000765999_100009817552 [0,1,0,1,0,0|2,0,0]=4 9237 B11R1.90 C[C@@H](O)COC1CCCC1=O 34a_200000719330_100009817552 [0,1,0,1,0,0|2,0,0]=4 9238 B11R1.90 C[C@@H](O)CO[C@H]1CCNC1=O 34a_100000688343_100009817552 [0,1,0,1,0,0|1,0,0]=3 9239 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100009817552 [0,1,0,1,0,0|2,0,0]=4 9240 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100009817552_100000211823 [0,1,0,1,0,0|2,0,0]=4 9241 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100000211211_100009817552 [0,1,0,1,0,0|2,0,0]=4 9242 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100009817552_100000211211 [0,1,0,1,0,0|2,0,0]=4 9243 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [0,1,0,1,0,0|2,0,0]=4 9244 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [0,1,0,1,0,0|2,0,0]=4 9245 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [0,1,0,1,0,0|2,0,0]=4 9246 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [0,1,0,1,0,0|2,0,0]=4 9247 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [0,1,0,1,0,0|2,0,0]=4 9248 B11R1.90 O=C1NCCC1NCC(F)F 2230a_100016995588_100011934356 [0,1,0,1,0,0|2,0,0]=4 9249 B11R1.90 O=C1NCCC1NCC(F)F 34a_100016995588_100011934356 [0,1,0,1,0,0|2,0,0]=4 9250 B11R1.90 O=C1NCC[C@@H]1OCC(F)F 34a_100000688343_100011934356 [0,1,0,1,0,0|2,0,0]=4 9251 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,1,0,0|1,0,1]=4 9252 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,1,0,1,0,0|1,0,1]=4 9253 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,1,0,1,0,0|1,0,0]=3 9254 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,1,0,1,0,0|1,0,0]=3 9255 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,1,0,1,0,0|2,0,0]=4 9256 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,1,0,1,0,0|2,0,0]=4 9257 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,1,0,1,0,0|2,0,0]=4 9258 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,1,0,1,0,0|2,0,0]=4 9259 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,1,0,1,0,0|2,0,0]=4 9260 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,1,0,1,0,0|2,0,0]=4 9261 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,1,0,1,0,0|0,0,0]=2 9262 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,1,0,1,0,0|0,0,0]=2 9263 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,1,0,1,0,0|0,0,0]=2 9264 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,1,0,1,0,0|0,0,0]=2 9265 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,1,0,1,0,0|1,0,0]=3 9266 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,1,0,1,0,0|1,0,0]=3 9267 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,1,0,1,0,0|1,0,0]=3 9268 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,1,0,1,0,0|1,0,0]=3 9269 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,1,0,1,0,0|1,0,0]=3 9270 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,1,0,1,0,0|1,0,0]=3 9271 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,1,0,1,0,0|1,0,0]=3 9272 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,1,0,1,0,0|1,0,0]=3 9273 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,1,0,1,0,0|1,0,0]=3 9274 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,1,0,1,0,0|1,0,0]=3 9275 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,1,0,1,0,0|1,0,0]=3 9276 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,1,0,1,0,0|1,0,0]=3 9277 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,1,0,1,0,0|1,0,0]=3 9278 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,1,0,1,0,0|1,0,0]=3 9279 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,1,0,1,0,0|1,0,0]=3 9280 B11R1.91 CC(=O)NC[C@H]1COCCO1 11a_100010981119_100015343762 [0,1,0,1,0,0|2,0,0]=4 9281 B11R1.91 CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100015343762 [0,1,0,1,0,0|2,0,0]=4 9282 B11R1.91 CC(=O)NC[C@H]1COCCO1 240690a_100010981119_100015343762 [0,1,0,1,0,0|2,0,0]=4 9283 B11R1.91 CC(=O)NC[C@H]1COCCO1 527a_100010981119_100103153847 [0,1,0,1,0,0|2,0,0]=4 9284 B11R1.91 CC(=O)NN=C1CCCCC1 4a_100000189765_100000210434 [0,1,0,1,0,0|1,0,1]=4 9285 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,1,0,1,0,0|1,0,0]=3 9286 B11R1.91 CC(=O)NNC1CCOCC1 22a_100000687383_100000070787 [0,1,0,1,0,0|2,0,0]=4 9287 B11R1.91 CC(C)NCC1CCCCC1 2230a_100000210473_100000210206 [0,1,0,1,0,0|1,0,1]=4 9288 B11R1.91 CC(C)NCC1CCCCC1 2230a_100138425928_100000211423 [0,1,0,1,0,0|1,0,1]=4 9289 B11R1.91 CC(C)NCC1CCCCC1 34a_100000210473_100000210206 [0,1,0,1,0,0|1,0,1]=4 9290 B11R1.91 CC(C)NCC1CCCCC1 34a_100138425928_100000211423 [0,1,0,1,0,0|1,0,1]=4 9291 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,1,0,1,0,0|2,0,0]=4 9292 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,1,0,1,0,0|2,0,0]=4 9293 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,1,0,1,0,0|2,0,0]=4 9294 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,1,0,1,0,0|2,0,0]=4 9295 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,1,0,1,0,0|2,0,0]=4 9296 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,1,0,1,0,0|2,0,0]=4 9297 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,1,0,1,0,0|2,0,0]=4 9298 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,1,0,1,0,0|2,0,0]=4 9299 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,1,0,1,0,0|2,0,0]=4 9300 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,1,0,1,0,0|2,0,0]=4 9301 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,1,0,1,0,0|2,0,0]=4 9302 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,1,0,1,0,0|1,0,1]=4 9303 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,1,0,1,0,0|1,0,0]=3 9304 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,1,0,1,0,0|2,0,0]=4 9305 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,1,0,1,0,0|2,0,0]=4 9306 B11R1.99 C/C=C/CCOCCC1CC1 34a_100016278192_100000694398 [0,1,0,1,0,0|2,0,0]=4 9307 B11R1.99 C=CCCCCCNC1CC1 34a_100000212008_100000700193 [0,1,0,1,0,0|2,0,0]=4 9308 B11R1.99 C=CCCCCCOC1CC1 34a_100011216702_100000211595 [0,1,0,1,0,0|2,0,0]=4 9309 B11R1.99 C=CCCCCCSC1CC1 62a_100000700193_100000211595 [0,1,0,1,0,0|2,0,0]=4 9310 B11R1.99 C=CCCCCNCC1CC1 2230a_100000703577_100000742324 [0,1,0,1,0,0|2,0,0]=4 9311 B11R1.99 C=CCCCCNCC1CC1 2230a_100000735609_100011215482 [0,1,0,1,0,0|2,0,0]=4 9312 B11R1.99 C=CCCCCNCC1CC1 269862a_100000703577_100000741477 [0,1,0,1,0,0|2,0,0]=4 9313 B11R1.99 C=CCCCCNCC1CC1 34a_100000703577_100000742324 [0,1,0,1,0,0|2,0,0]=4 9314 B11R1.99 C=CCCCCNCC1CC1 34a_100000735609_100011215482 [0,1,0,1,0,0|2,0,0]=4 9315 B11R1.99 C=CCCCCOCC1CC1 34a_100000211283_100011215482 [0,1,0,1,0,0|2,0,0]=4 9316 B11R1.99 C=CCCCCOCC1CC1 34a_100000766645_100000742324 [0,1,0,1,0,0|2,0,0]=4 9317 B11R1.99 C=CCCCCOCC1CC1 7a_100000766645_100000742324 [0,1,0,1,0,0|2,0,0]=4 9318 B11R1.99 C=CCCCCSCC1CC1 62a_100000756562_100011215482 [0,1,0,1,0,0|2,0,0]=4 9319 B11R1.99 C=CCCCCSCC1CC1 62a_100011215482_100000742324 [0,1,0,1,0,0|2,0,0]=4 9320 B11R1.99 C=CCCCNCCC1CC1 2230a_100000700776_100000694398 [0,1,0,1,0,0|2,0,0]=4 9321 B11R1.99 C=CCCCNCCC1CC1 34a_100000700776_100000694398 [0,1,0,1,0,0|2,0,0]=4 9322 B11R1.99 C=CCCCNCCC1CC1 34a_100000764129_100000757094 [0,1,0,1,0,0|2,0,0]=4 9323 B11R1.99 C=CCCCOCCC1CC1 34a_100000754188_100000757094 [0,1,0,1,0,0|2,0,0]=4 9324 B11R1.99 C=CCCCOCCC1CC1 34a_100000758997_100000694398 [0,1,0,1,0,0|2,0,0]=4 9325 B11R1.99 C=CCCCOCCC1CC1 7a_100000754188_100000757094 [0,1,0,1,0,0|2,0,0]=4 9326 B11R1.99 C=CCCCOCCC1CC1 7a_100000758997_100000764125 [0,1,0,1,0,0|2,0,0]=4 9327 B11R1.99 C=CCCCSCCC1CC1 62a_100000764125_100000757094 [0,1,0,1,0,0|2,0,0]=4 9328 B11R1.99 C=CCCCSCCC1CC1 62a_100011713584_100000764125 [0,1,0,1,0,0|2,0,0]=4 9329 B11R1.99 C=COCCCCOC1CC1 34a_100000031558_100000211595 [0,1,0,1,0,0|2,0,0]=4 9330 B11R1.99 C=COCCCNCC1CC1 2230a_100000210767_100000742324 [0,1,0,1,0,0|2,0,0]=4 9331 B11R1.99 C=COCCCNCC1CC1 269862a_100000210767_100000741477 [0,1,0,1,0,0|2,0,0]=4 9332 B11R1.99 C=COCCCNCC1CC1 34a_100000210767_100000742324 [0,1,0,1,0,0|2,0,0]=4 9333 B11R1.99 C=COCCNCCC1CC1 34a_100000764129_100000039644 [0,1,0,1,0,0|2,0,0]=4 9334 B11R1.99 C=COCCOCCC1CC1 34a_100000033082_100000694398 [0,1,0,1,0,0|2,0,0]=4 9335 B11R1.99 C=COCCOCCC1CC1 34a_100000754188_100000039644 [0,1,0,1,0,0|2,0,0]=4 9336 B11R1.99 C=COCCOCCC1CC1 7a_100000754188_100000039644 [0,1,0,1,0,0|2,0,0]=4 9337 B11R1.99 C=COCCSCCC1CC1 62a_100000039644_100000764125 [0,1,0,1,0,0|2,0,0]=4 9338 B11R1.99 C=COCCSCCC1CC1 62a_100000764125_100000039644 [0,1,0,1,0,0|2,0,0]=4 9339 B11R1.99 CC=CCCCOCC1CC1 34a_100020645299_100000742324 [0,1,0,1,0,0|2,0,0]=4 9340 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [0,1,0,1,0,0|1,0,1]=4 9341 B11R1.99 O=CCCCCCSC1CC1 62a_100000139337_100000211595 [0,1,0,1,0,0|1,0,0]=3 9342 B11R1.99 O=CCCCCNCC1CC1 2230a_100000735609_100000139335 [0,1,0,1,0,0|1,0,0]=3 9343 B11R1.99 O=CCCCCSCC1CC1 62a_100000139335_100000742324 [0,1,0,1,0,0|1,0,0]=3 9344 B11R1.99 O=CCCCCSCC1CC1 62a_100000756562_100000139335 [0,1,0,1,0,0|1,0,0]=3 9345 B11R1.99 O=CCCCCSCC1CO1 62a_100000139335_102125554688 [0,1,0,1,0,0|2,0,0]=4 9346 B11R1.99 O=CCCCCSCC1CO1 62a_102125554688_100000139335 [0,1,0,1,0,0|2,0,0]=4 9347 B11R1.99 O=CCCCCSCC1CS1 62a_100000031435_100000139335 [0,1,0,1,0,0|2,0,0]=4 9348 B11R1.99 O=CCCCCSCC1CS1 62a_100000139335_100000031435 [0,1,0,1,0,0|2,0,0]=4 9349 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000139335_100000745022 [0,1,0,1,0,0|2,0,0]=4 9350 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000745022_100000139335 [0,1,0,1,0,0|2,0,0]=4 9351 B11R1.99 O=CCCCOCCC1CC1 7a_100000754188_200011292268 [0,1,0,1,0,0|1,0,0]=3 9352 B11R1.99 O=CCCCSCCC1CC1 62a_100000764125_200011292268 [0,1,0,1,0,0|1,0,0]=3 9353 B11R1.99 O=CCCCSCCC1CC1 62a_200011292268_100000764125 [0,1,0,1,0,0|1,0,0]=3 9354 B11R1.99 O=CCCCSCCC1CO1 62a_100000732470_200011292268 [0,1,0,1,0,0|2,0,0]=4 9355 B11R1.99 O=CCCCSCCC1CO1 62a_200011292268_100000732470 [0,1,0,1,0,0|2,0,0]=4 9356 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [0,1,0,1,0,0|2,0,0]=4 9357 B11R1.102 CC(=O)NCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000189650 [0,1,0,1,0,0|2,0,0]=4 9358 B11R1.102 CC(=O)NCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000189650 [0,1,0,1,0,0|2,0,0]=4 9359 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [0,1,0,1,0,0|2,0,0]=4 9360 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [0,1,0,1,0,0|2,0,0]=4 9361 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [0,1,0,1,0,0|2,0,0]=4 9362 B11R1.102 NC(=O)NCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200000034859 [0,1,0,1,0,0|2,0,0]=4 9363 B11R1.102 NC(=O)NCCN[C@@H]1C[C@H]1F 2230a_100025746932_200000034859 [0,1,0,1,0,0|2,0,0]=4 9364 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,1,0,0|1,0,1]=4 9365 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,1,0,1,0,0|2,0,0]=4 9366 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [0,1,0,1,0,0|0,0,1]=3 9367 B11R1.143 CN(C)C1CCCCCC1=O 269982a_100102631434_100000243696 [0,1,0,1,0,0|2,0,0]=4 9368 B11R1.143 CN(C)C1CCCCNC1=O 2230a_100102631434_100000735217 [0,1,0,1,0,0|1,0,0]=3 9369 B11R1.143 CN(C)C1CCCCNC1=O 269982a_100102631434_100000735217 [0,1,0,1,0,0|1,0,0]=3 9370 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,1,0,1,0,0|2,0,0]=4 9371 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,1,0,1,0,0|2,0,0]=4 9372 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,1,0,1,0,0|2,0,0]=4 9373 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [0,1,0,1,0,0|2,0,0]=4 9374 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [0,1,0,1,0,0|2,0,0]=4 9375 B11R1.161 CC(=O)NCCN1CCC1C 269982a_100000755817_100000189650 [0,1,0,1,0,0|1,0,0]=3 9376 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [0,1,0,1,0,0|2,0,0]=4 9377 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [0,1,0,1,0,0|2,0,0]=4 9378 B11R1.161 CC(Br)CCOC1CCC1=O 34a_100009893172_100009892977 [0,1,0,1,0,0|2,0,0]=4 9379 B11R1.161 CC(C)CCOC1CCC1=O 34a_100000210254_100009892977 [0,1,0,1,0,0|2,0,0]=4 9380 B11R1.161 CC(C)CCOC1CCC1=O 7a_100000210254_100009892977 [0,1,0,1,0,0|2,0,0]=4 9381 B11R1.161 CC(C)CCSC1CCC1=O 62a_100000210312_100009892977 [0,1,0,1,0,0|2,0,0]=4 9382 B11R1.161 CC(C)CCSC1CCC1=O 62a_100009892977_100000210312 [0,1,0,1,0,0|2,0,0]=4 9383 B11R1.161 CC(C)NCCC1CCC1=O 2230a_100138425928_200016118888 [0,1,0,1,0,0|2,0,0]=4 9384 B11R1.161 CC(C)SCCC1CCC1=O 62a_100000210206_200016118888 [0,1,0,1,0,0|2,0,0]=4 9385 B11R1.161 CC(C)SCCC1CCC1=O 62a_200016118888_100000210206 [0,1,0,1,0,0|2,0,0]=4 9386 B11R1.161 CC(O)CCSC1CCC1=O 62a_100009892977_100012276601 [0,1,0,1,0,0|2,0,0]=4 9387 B11R1.161 CC(O)CCSC1CCC1=O 62a_100012276601_100009892977 [0,1,0,1,0,0|2,0,0]=4 9388 B11R1.161 CC1CCN1CCCC(=O)N 269982a_100000755817_100102525003 [0,1,0,1,0,0|2,0,0]=4 9389 B11R1.161 CC1CCN1CCCC(=O)N 34a_100000755817_100102525003 [0,1,0,1,0,0|2,0,0]=4 9390 B11R1.161 CC1CCN1CCNC(=O)N 269982a_100000755817_200000034859 [0,1,0,1,0,0|1,0,0]=3 9391 B11R1.161 CC1CCN1CCOC(=O)N 269982a_100000755817_200011214921 [0,1,0,1,0,0|2,0,0]=4 9392 B11R1.161 CC1CCN1CCOC(=O)N 34a_100000755817_200011214921 [0,1,0,1,0,0|2,0,0]=4 9393 B11R1.161 C[C@@H](N)CCOC1CCC1=O 34a_100000706166_100009892977 [0,1,0,1,0,0|2,0,0]=4 9394 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,1,0,1,0,0|1,0,0]=3 9395 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,1,0,1,0,0|2,0,0]=4 9396 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,1,0,1,0,0|2,0,0]=4 9397 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,1,0,1,0,0|2,0,0]=4 9398 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,1,0,1,0,0|2,0,0]=4 9399 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,1,0,1,0,0|2,0,0]=4 9400 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,1,0,1,0,0|2,0,0]=4 9401 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,1,0,1,0,0|2,0,0]=4 9402 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,1,0,1,0,0|2,0,0]=4 9403 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,1,0,1,0,0|2,0,0]=4 9404 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,1,0,1,0,0|0,0,0]=2 9405 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,1,0,1,0,0|0,0,0]=2 9406 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,1,0,1,0,0|0,0,0]=2 9407 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,1,0,1,0,0|0,0,0]=2 9408 B11R1.172 CC(=O)NCCC1OCCO1 11a_100000034215_100015343762 [0,1,0,1,0,0|2,0,0]=4 9409 B11R1.172 CC(=O)NCCC1OCCO1 1626a_100000034215_100015343762 [0,1,0,1,0,0|2,0,0]=4 9410 B11R1.172 CC(=O)NCCC1OCCO1 240690a_100000034215_100015343762 [0,1,0,1,0,0|2,0,0]=4 9411 B11R1.172 CC(=O)NCCC1OCCO1 527a_100000034215_100103153847 [0,1,0,1,0,0|2,0,0]=4 9412 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [0,1,0,1,0,0|1,0,0]=3 9413 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [0,1,0,1,0,0|1,0,0]=3 9414 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [0,1,0,1,0,0|1,0,0]=3 9415 B11R1.172 CC(=O)NCCN1CCSC1 2230a_100011215254_100000189650 [0,1,0,1,0,0|2,0,0]=4 9416 B11R1.172 CC(=O)NCCN1CCSC1 269982a_100011215254_100000189650 [0,1,0,1,0,0|2,0,0]=4 9417 B11R1.172 CC(=O)NN=CC1CCCC1 4a_100000189765_100000746403 [0,1,0,1,0,0|1,0,1]=4 9418 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [0,1,0,1,0,0|2,0,0]=4 9419 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [0,1,0,1,0,0|2,0,0]=4 9420 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,1,0,1,0,0|2,0,0]=4 9421 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [0,1,0,1,0,0|2,0,0]=4 9422 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [0,1,0,1,0,0|2,0,0]=4 9423 B11R1.172 CC(C)NCCC1CCCC1 2230a_100000739158_100000210206 [0,1,0,1,0,0|1,0,1]=4 9424 B11R1.172 CC(C)NCCC1CCCC1 2230a_100138425928_100000760354 [0,1,0,1,0,0|1,0,1]=4 9425 B11R1.172 CC(C)NCCC1CCCC1 34a_100000739158_100000210206 [0,1,0,1,0,0|1,0,1]=4 9426 B11R1.172 CC(C)NCCC1CCCC1 34a_100138425928_100000760354 [0,1,0,1,0,0|1,0,1]=4 9427 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [0,1,0,1,0,0|2,0,0]=4 9428 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [0,1,0,1,0,0|2,0,0]=4 9429 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [0,1,0,1,0,0|2,0,0]=4 9430 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [0,1,0,1,0,0|2,0,0]=4 9431 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [0,1,0,1,0,0|2,0,0]=4 9432 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [0,1,0,1,0,0|2,0,0]=4 9433 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [0,1,0,1,0,0|2,0,0]=4 9434 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [0,1,0,1,0,0|2,0,0]=4 9435 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [0,1,0,1,0,0|2,0,0]=4 9436 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [0,1,0,1,0,0|2,0,0]=4 9437 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [0,1,0,1,0,0|2,0,0]=4 9438 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [0,1,0,1,0,0|2,0,0]=4 9439 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [0,1,0,1,0,0|2,0,0]=4 9440 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [0,1,0,1,0,0|2,0,0]=4 9441 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [0,1,0,1,0,0|2,0,0]=4 9442 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [0,1,0,1,0,0|2,0,0]=4 9443 B11R1.172 NC(=O)NCCN1CCCC1 2230a_100000188435_200000034859 [0,1,0,1,0,0|1,0,0]=3 9444 B11R1.172 NC(=O)NCCN1CCCC1 269982a_100000188435_200000034859 [0,1,0,1,0,0|1,0,0]=3 9445 B11R1.172 NC(=O)NCCN1CCSC1 2230a_100011215254_200000034859 [0,1,0,1,0,0|2,0,0]=4 9446 B11R1.172 NC(=O)NCCN1CCSC1 269982a_100011215254_200000034859 [0,1,0,1,0,0|2,0,0]=4 9447 B11R1.172 NC(=O)OCCN1CCCC1 269982a_100000188435_200011214921 [0,1,0,1,0,0|2,0,0]=4 9448 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,1,0,1,0,0|2,0,0]=4 9449 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [0,1,0,1,0,0|2,0,0]=4 9450 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [0,1,0,1,0,0|2,0,0]=4 9451 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [0,1,0,1,0,0|2,0,0]=4 9452 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [0,1,0,1,0,0|2,0,0]=4 9453 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,1,0,1,0,0|2,0,0]=4 9454 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [0,1,0,1,0,0|2,0,0]=4 9455 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [0,1,0,1,0,0|2,0,0]=4 9456 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [0,1,0,1,0,0|2,0,0]=4 9457 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [0,1,0,1,0,0|2,0,0]=4 9458 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [0,1,0,1,0,0|2,0,0]=4 9459 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [0,1,0,1,0,0|2,0,0]=4 9460 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [0,1,0,1,0,0|2,0,0]=4 9461 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [0,1,0,1,0,0|2,0,0]=4 9462 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [0,1,0,1,0,0|2,0,0]=4 9463 B11R1.174 CC(=O)NCCNC1CCC1 2230a_100000749019_100000189650 [0,1,0,1,0,0|1,0,0]=3 9464 B11R1.174 CC(=O)NCCNC1COC1 2230a_100016991112_100000189650 [0,1,0,1,0,0|2,0,0]=4 9465 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [0,1,0,1,0,0|1,0,0]=3 9466 B11R1.174 CC(=O)NCCOC1COC1 34a_100000158858_100009818527 [0,1,0,1,0,0|2,0,0]=4 9467 B11R1.174 CC(=O)NCCOC1CSC1 7a_100000072292_100000189650 [0,1,0,1,0,0|2,0,0]=4 9468 B11R1.174 CC(=O)NCCSC1CCC1 62a_100000189650_100000749161 [0,1,0,1,0,0|1,0,0]=3 9469 B11R1.174 CC(=O)NCCSC1COC1 62a_100000189650_100009818527 [0,1,0,1,0,0|2,0,0]=4 9470 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [0,1,0,1,0,0|2,0,0]=4 9471 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [0,1,0,1,0,0|2,0,0]=4 9472 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [0,1,0,1,0,0|2,0,0]=4 9473 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [0,1,0,1,0,0|2,0,0]=4 9474 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [0,1,0,1,0,0|2,0,0]=4 9475 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [0,1,0,1,0,0|2,0,0]=4 9476 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [0,1,0,1,0,0|2,0,0]=4 9477 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [0,1,0,1,0,0|2,0,0]=4 9478 B11R1.174 CC(=O)SCCCN1CCC1 269982a_100000754969_100000038929 [0,1,0,1,0,0|2,0,0]=4 9479 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000739312_100000749161 [0,1,0,1,0,0|2,0,0]=4 9480 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000749019_100102525003 [0,1,0,1,0,0|2,0,0]=4 9481 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [0,1,0,1,0,0|2,0,0]=4 9482 B11R1.174 NC(=O)CCCSC1CCC1 62a_100102525003_100000749161 [0,1,0,1,0,0|2,0,0]=4 9483 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [0,1,0,1,0,0|2,0,0]=4 9484 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [0,1,0,1,0,0|2,0,0]=4 9485 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [0,1,0,1,0,0|2,0,0]=4 9486 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [0,1,0,1,0,0|2,0,0]=4 9487 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [0,1,0,1,0,0|2,0,0]=4 9488 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [0,1,0,1,0,0|2,0,0]=4 9489 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [0,1,0,1,0,0|2,0,0]=4 9490 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [0,1,0,1,0,0|2,0,0]=4 9491 B11R1.174 NC(=O)NCCNC1CCC1 2230a_100000749019_200000034859 [0,1,0,1,0,0|1,0,0]=3 9492 B11R1.174 NC(=O)NCCNC1CCC1 34a_100020590234_100000749161 [0,1,0,1,0,0|1,0,0]=3 9493 B11R1.174 NC(=O)NCCNC1COC1 2230a_100016991112_200000034859 [0,1,0,1,0,0|2,0,0]=4 9494 B11R1.174 NC(=O)NCCNC1COC1 34a_100020590234_100009818527 [0,1,0,1,0,0|2,0,0]=4 9495 B11R1.174 NC(=O)NCCOC1CCC1 34a_100000181757_100000749161 [0,1,0,1,0,0|1,0,0]=3 9496 B11R1.174 NC(=O)NCCOC1COC1 34a_100000181757_100009818527 [0,1,0,1,0,0|2,0,0]=4 9497 B11R1.174 NC(=O)NCCOC1CSC1 7a_100000072292_200000034859 [0,1,0,1,0,0|2,0,0]=4 9498 B11R1.174 NC(=O)NCCSC1CCC1 62a_200000034859_100000749161 [0,1,0,1,0,0|1,0,0]=3 9499 B11R1.174 NC(=O)NCCSC1COC1 62a_200000034859_100009818527 [0,1,0,1,0,0|2,0,0]=4 9500 B11R1.174 NC(=O)OCCNC1CCC1 34a_100000749019_200011214921 [0,1,0,1,0,0|2,0,0]=4 9501 B11R1.174 NC(=O)OCCOC1CCC1 34a_100000748187_200011214921 [0,1,0,1,0,0|2,0,0]=4 9502 B11R1.174 NC(=O)OCCSC1CCC1 62a_200011214921_100000749161 [0,1,0,1,0,0|2,0,0]=4 9503 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [0,1,0,1,0,0|2,0,0]=4 9504 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [0,1,0,1,0,0|2,0,0]=4 9505 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [0,1,0,1,0,0|2,0,0]=4 9506 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [0,1,0,1,0,0|2,0,0]=4 9507 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [0,1,0,1,0,0|2,0,0]=4 9508 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [0,1,0,1,0,0|2,0,0]=4 9509 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [0,1,0,1,0,0|2,0,0]=4 9510 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [0,1,0,1,0,0|2,0,0]=4 9511 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [0,1,0,1,0,0|2,0,0]=4 9512 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [0,1,0,1,0,0|2,0,0]=4 9513 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [0,1,0,1,0,0|2,0,0]=4 9514 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [0,1,0,1,0,0|2,0,0]=4 9515 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [0,1,0,1,0,0|2,0,0]=4 9516 B11R1.176 CC(=O)NCCCNC1CC1 34a_100000736810_100000211595 [0,1,0,1,0,0|1,0,0]=3 9517 B11R1.176 CC(=O)NCCCOC1CC1 34a_100000752032_100000211595 [0,1,0,1,0,0|1,0,0]=3 9518 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000209853_100000742324 [0,1,0,1,0,0|1,0,0]=3 9519 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000735609_100000189650 [0,1,0,1,0,0|1,0,0]=3 9520 B11R1.176 CC(=O)NCCNCC1CC1 269862a_100000209853_100000741477 [0,1,0,1,0,0|1,0,0]=3 9521 B11R1.176 CC(=O)NCCNCC1CO1 2230a_100000209853_100011216344 [0,1,0,1,0,0|2,0,0]=4 9522 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [0,1,0,1,0,0|1,0,0]=3 9523 B11R1.176 CC(=O)NCCOCC1CO1 34a_100000158858_102125554688 [0,1,0,1,0,0|2,0,0]=4 9524 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000189650_100000742324 [0,1,0,1,0,0|1,0,0]=3 9525 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000756562_100000189650 [0,1,0,1,0,0|1,0,0]=3 9526 B11R1.176 CC(=O)NCCSCC1CO1 62a_100000189650_102125554688 [0,1,0,1,0,0|2,0,0]=4 9527 B11R1.176 CC(=O)NCCSCC1CO1 62a_102125554688_100000189650 [0,1,0,1,0,0|2,0,0]=4 9528 B11R1.176 CC(=O)NCCSCC1CS1 62a_100000031435_100000189650 [0,1,0,1,0,0|2,0,0]=4 9529 B11R1.176 CC(=O)NCCSCC1CS1 62a_100000189650_100000031435 [0,1,0,1,0,0|2,0,0]=4 9530 B11R1.176 CC(=O)NCCSC[C@@H]1CO1 62a_100000189650_100000745022 [0,1,0,1,0,0|2,0,0]=4 9531 B11R1.176 CC(=O)NCCSC[C@@H]1CO1 62a_100000745022_100000189650 [0,1,0,1,0,0|2,0,0]=4 9532 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [0,1,0,1,0,0|2,0,0]=4 9533 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [0,1,0,1,0,0|2,0,0]=4 9534 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [0,1,0,1,0,0|2,0,0]=4 9535 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [0,1,0,1,0,0|2,0,0]=4 9536 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [0,1,0,1,0,0|2,0,0]=4 9537 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [0,1,0,1,0,0|2,0,0]=4 9538 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [0,1,0,1,0,0|2,0,0]=4 9539 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [0,1,0,1,0,0|2,0,0]=4 9540 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [0,1,0,1,0,0|2,0,0]=4 9541 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [0,1,0,1,0,0|2,0,0]=4 9542 B11R1.176 CC(=O)SCCCNC1CC1 34a_100000212008_100000038929 [0,1,0,1,0,0|2,0,0]=4 9543 B11R1.176 CC(=O)SCCCSC1CC1 62a_100000038929_100000211595 [0,1,0,1,0,0|2,0,0]=4 9544 B11R1.176 CC(=O)SCCNCC1CC1 269862a_100020647217_100000741477 [0,1,0,1,0,0|2,0,0]=4 9545 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [0,1,0,1,0,0|2,0,0]=4 9546 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [0,1,0,1,0,0|2,0,0]=4 9547 B11R1.176 NC(=O)CCCNCC1CC1 269862a_100000739312_100000741477 [0,1,0,1,0,0|2,0,0]=4 9548 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000735609_100102525003 [0,1,0,1,0,0|2,0,0]=4 9549 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000739312_100000742324 [0,1,0,1,0,0|2,0,0]=4 9550 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [0,1,0,1,0,0|2,0,0]=4 9551 B11R1.176 NC(=O)CCCSCC1CC1 62a_100000756562_100102525003 [0,1,0,1,0,0|2,0,0]=4 9552 B11R1.176 NC(=O)CCCSCC1CC1 62a_100102525003_100000742324 [0,1,0,1,0,0|2,0,0]=4 9553 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [0,1,0,1,0,0|2,0,0]=4 9554 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [0,1,0,1,0,0|2,0,0]=4 9555 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [0,1,0,1,0,0|2,0,0]=4 9556 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [0,1,0,1,0,0|2,0,0]=4 9557 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [0,1,0,1,0,0|2,0,0]=4 9558 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [0,1,0,1,0,0|2,0,0]=4 9559 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [0,1,0,1,0,0|2,0,0]=4 9560 B11R1.176 NC(=O)NCCNCC1CC1 2230a_100000735609_200000034859 [0,1,0,1,0,0|1,0,0]=3 9561 B11R1.176 NC(=O)NCCNCC1CC1 269862a_100020590234_100000741477 [0,1,0,1,0,0|1,0,0]=3 9562 B11R1.176 NC(=O)NCCNCC1CC1 34a_100020590234_100000742324 [0,1,0,1,0,0|1,0,0]=3 9563 B11R1.176 NC(=O)NCCNCC1CO1 34a_100020590234_102125554688 [0,1,0,1,0,0|2,0,0]=4 9564 B11R1.176 NC(=O)NCCOCC1CC1 34a_100000181757_100000742324 [0,1,0,1,0,0|1,0,0]=3 9565 B11R1.176 NC(=O)NCCOCC1CO1 34a_100000181757_102125554688 [0,1,0,1,0,0|2,0,0]=4 9566 B11R1.176 NC(=O)NCCSCC1CC1 62a_100000756562_200000034859 [0,1,0,1,0,0|1,0,0]=3 9567 B11R1.176 NC(=O)NCCSCC1CC1 62a_200000034859_100000742324 [0,1,0,1,0,0|1,0,0]=3 9568 B11R1.176 NC(=O)NCCSCC1CO1 62a_102125554688_200000034859 [0,1,0,1,0,0|2,0,0]=4 9569 B11R1.176 NC(=O)NCCSCC1CO1 62a_200000034859_102125554688 [0,1,0,1,0,0|2,0,0]=4 9570 B11R1.176 NC(=O)NCCSCC1CS1 62a_100000031435_200000034859 [0,1,0,1,0,0|2,0,0]=4 9571 B11R1.176 NC(=O)NCCSCC1CS1 62a_200000034859_100000031435 [0,1,0,1,0,0|2,0,0]=4 9572 B11R1.176 NC(=O)NCCSC[C@@H]1CO1 62a_100000745022_200000034859 [0,1,0,1,0,0|2,0,0]=4 9573 B11R1.176 NC(=O)NCCSC[C@@H]1CO1 62a_200000034859_100000745022 [0,1,0,1,0,0|2,0,0]=4 9574 B11R1.176 NC(=O)OCCNCC1CC1 34a_100000735609_200011214921 [0,1,0,1,0,0|2,0,0]=4 9575 B11R1.176 NC(=O)OCCOCC1CC1 34a_100000211283_200011214921 [0,1,0,1,0,0|2,0,0]=4 9576 B11R1.176 NC(=O)OCCOCC1CC1 7a_100000766696_100000742324 [0,1,0,1,0,0|2,0,0]=4 9577 B11R1.176 NC(=O)OCCSCC1CC1 62a_100000756562_200011214921 [0,1,0,1,0,0|2,0,0]=4 9578 B11R1.176 NC(=O)OCCSCC1CC1 62a_200011214921_100000742324 [0,1,0,1,0,0|2,0,0]=4 9579 B11R1.191 CCNC1CCCCC1(C)C 269862a_100015525214_100000031690 [0,1,0,1,0,0|1,0,1]=4 9580 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [0,1,0,1,0,0|1,0,0]=3 9581 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [0,1,0,1,0,0|1,0,0]=3 9582 B11R1.193 CC(C)C1CCCN1CC=O 2230a_100000762757_200015260668 [0,1,0,1,0,0|2,0,0]=4 9583 B11R1.193 CC(C)C1CCCN1CC=O 269982a_100000762757_200015260668 [0,1,0,1,0,0|2,0,0]=4 9584 B11R1.193 CC(C)C1CCCN1CC=O 34a_100000762757_200009817547 [0,1,0,1,0,0|2,0,0]=4 9585 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [0,1,0,1,0,0|2,0,0]=4 9586 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,1,0,1,0,0|2,0,0]=4 9587 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [0,1,0,1,0,0|1,0,0]=3 9588 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [0,1,0,1,0,0|1,0,0]=3 9589 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [0,1,0,1,0,0|1,0,0]=3 9590 B11R1.193 COC[C@@H]1CCCN1C(=O)N 34a_100012022907_200000210301 [0,1,0,1,0,0|1,0,0]=3 9591 B11R1.193 COC[C@@H]1CCCN1C(=O)N 7a_100012022907_200000210301 [0,1,0,1,0,0|1,0,0]=3 9592 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [0,1,0,1,0,0|1,0,0]=3 9593 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [0,1,0,1,0,0|1,0,0]=3 9594 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 34a_100012022907_200025704644 [0,1,0,1,0,0|1,0,0]=3 9595 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 7a_100012022907_200025704644 [0,1,0,1,0,0|1,0,0]=3 9596 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,1,0,1,0,0|2,0,0]=4 9597 B11R1.233 CC1(CCCC1OCC=O)C 34a_100000726220_200009817547 [0,1,0,1,0,0|2,0,0]=4 9598 B11R1.233 CC1(CCCC1OCC=O)C 7a_100000726220_200015260668 [0,1,0,1,0,0|2,0,0]=4 9599 B11R1.233 C[C@]1(CCC[C@H]1NCC=O)O 2230a_100015977457_200015260668 [0,1,0,1,0,0|2,0,0]=4 9600 B11R1.233 C[C@]1(CCC[C@H]1NCC=O)O 34a_100015977457_200009817547 [0,1,0,1,0,0|2,0,0]=4 9601 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,1,0,1,0,0|0,0,0]=2 9602 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,1,0,1,0,0|0,0,0]=2 9603 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,1,0,1,0,0|0,0,0]=2 9604 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,1,0,1,0,0|0,0,0]=2 9605 B11R1.706 CC(C)N1CCCCCCC1 2230a_100000211400_100000210206 [0,1,0,1,0,0|1,0,1]=4 9606 B11R1.706 CC(C)N1CCCCCCC1 269982a_100000211400_100000210206 [0,1,0,1,0,0|1,0,1]=4 9607 B11R1.706 CC(C)N1CCCCCCC1 34a_100000211400_100000210206 [0,1,0,1,0,0|1,0,1]=4 9608 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,1,0,1,0,0|1,0,1]=4 9609 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,1,0,1,0,0|1,0,0]=3 9610 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,1,0,1,0,0|1,0,0]=3 9611 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,1,0,1,0,0|2,0,0]=4 9612 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,1,0,1,0,0|0,0,0]=2 9613 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,1,0,1,0,0|0,0,0]=2 9614 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,1,0,1,0,0|0,0,0]=2 9615 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,1,0,1,0,0|0,0,0]=2 9616 B11R1.742 CC(C)NC1CCCCCC1 2230a_100000210984_100000210206 [0,1,0,1,0,0|1,0,1]=4 9617 B11R1.742 CC(C)NC1CCCCCC1 34a_100000210984_100000210206 [0,1,0,1,0,0|1,0,1]=4 9618 B11R1.742 CC(C)NC1CCCCCC1 34a_100138425928_100011217769 [0,1,0,1,0,0|1,0,1]=4 9619 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,1,0,1,0,0|2,0,0]=4 9620 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,1,0,1,0,0|2,0,0]=4 9621 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,1,0,1,0,0|2,0,0]=4 9622 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,1,0,1,0,0|2,0,0]=4 9623 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,1,0,1,0,0|2,0,0]=4 9624 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,1,0,1,0,0|1,0,1]=4 9625 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,1,0,1,0,0|1,0,0]=3 9626 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,1,0,1,0,0|2,0,0]=4 9627 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,1,0,1,0,0|0,0,0]=2 9628 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,1,0,1,0,0|0,0,0]=2 9629 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,1,0,1,0,0|0,0,0]=2 9630 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,1,0,1,0,0|1,0,0]=3 9631 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,1,0,1,0,0|1,0,0]=3 9632 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,1,0,1,0,0|0,0,0]=2 9633 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,1,0,1,0,0|0,0,0]=2 9634 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [0,1,0,1,0,0|2,0,0]=4 9635 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [0,1,0,1,0,0|2,0,0]=4 9636 B11R1.5 O=C1NCCCCC1NCF 34a_100000698827_100015361967 [0,1,0,1,0,0|1,0,0]=3 9637 B11R1.5 O=C1NCCCCC1SCF 62a_100000735217_100015361967 [0,1,0,1,0,0|1,0,0]=3 9638 B11R1.5 O=C1NCCCCC1SCF 62a_100015361967_100000735217 [0,1,0,1,0,0|1,0,0]=3 9639 B11R1.17 C#CCNC1CCCCC1C 2230a_100000211402_100000038162 [0,1,0,1,0,0|1,0,1]=4 9640 B11R1.17 C#CCNC1CCCCC1C 34a_100000211402_100000184674 [0,1,0,1,0,0|1,0,1]=4 9641 B11R1.17 C#CCNC1CCCNC1=O 2230a_100000747585_100000038162 [0,1,0,1,0,0|0,0,2]=4 9642 B11R1.17 C#CCNC1CCCNC1=O 34a_100000212058_100000687798 [0,1,0,1,0,0|0,0,2]=4 9643 B11R1.17 C#CCNC1CCCNC1=O 34a_100000747585_100000184674 [0,1,0,1,0,0|0,0,2]=4 9644 B11R1.17 C#CCOC1CCCNC1=O 34a_100000073722_100000184674 [0,1,0,1,0,0|0,0,2]=4 9645 B11R1.17 C#CCOC1CCCNC1=O 34a_100000210247_100000687798 [0,1,0,1,0,0|0,0,2]=4 9646 B11R1.17 C#CCSC1CCCNC1=O 62a_100000038162_100000687798 [0,1,0,1,0,0|0,0,2]=4 9647 B11R1.17 C/C=C/CN1CCCCC1C 269982a_100000211376_100102629194 [0,1,0,1,0,0|2,0,0]=4 9648 B11R1.17 C/C=C/CN1CCCCC1C 34a_100000211376_100102629194 [0,1,0,1,0,0|2,0,0]=4 9649 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [0,1,0,1,0,0|2,0,0]=4 9650 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [0,1,0,1,0,0|2,0,0]=4 9651 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [0,1,0,1,0,0|2,0,0]=4 9652 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [0,1,0,1,0,0|1,0,0]=3 9653 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [0,1,0,1,0,0|1,0,0]=3 9654 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [0,1,0,1,0,0|1,0,0]=3 9655 B11R1.17 C=CCNC1CCCNC1=O 2230a_100000747585_100000210623 [0,1,0,1,0,0|0,0,2]=4 9656 B11R1.17 C=CCNC1CCCNC1=O 2230a_100020586998_100000687798 [0,1,0,1,0,0|0,0,2]=4 9657 B11R1.17 C=CCNC1CCCNC1=O 34a_100000747585_100015514636 [0,1,0,1,0,0|0,0,2]=4 9658 B11R1.17 C=CCNC1CCNCC1C 270004a_100020586998_100000703950 [0,1,0,1,0,0|2,0,0]=4 9659 B11R1.17 C=CCNC1CCOCC1C 270004a_100020586998_100000755695 [0,1,0,1,0,0|2,0,0]=4 9660 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210623 [0,1,0,1,0,0|2,0,0]=4 9661 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015514636 [0,1,0,1,0,0|2,0,0]=4 9662 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [0,1,0,1,0,0|2,0,0]=4 9663 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [0,1,0,1,0,0|2,0,0]=4 9664 B11R1.17 C=CCOC1CCCNC1=O 34a_100000073722_100015514636 [0,1,0,1,0,0|0,0,2]=4 9665 B11R1.17 C=CCOC1CCCNC1=O 34a_200000210373_100000687798 [0,1,0,1,0,0|0,0,2]=4 9666 B11R1.17 C=CCSC1CCCNC1=O 62a_100000210623_100000687798 [0,1,0,1,0,0|0,0,2]=4 9667 B11R1.17 C=CCSC1CCCNC1=O 62a_100000687798_100000210623 [0,1,0,1,0,0|0,0,2]=4 9668 B11R1.17 CC1CCCCC1NCC#N 2230a_100000211402_100011215382 [0,1,0,1,0,0|1,0,1]=4 9669 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [0,1,0,1,0,0|0,0,0]=2 9670 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [0,1,0,1,0,0|0,0,0]=2 9671 B11R1.17 CC1CCCCC1NCCF 2230a_100000211402_100011217306 [0,1,0,1,0,0|1,0,1]=4 9672 B11R1.17 CC1CCCCC1NCCF 269862a_100000724931_100000210921 [0,1,0,1,0,0|1,0,1]=4 9673 B11R1.17 CC1CCCCC1NCCF 34a_100000211402_100011217306 [0,1,0,1,0,0|1,0,1]=4 9674 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [0,1,0,1,0,0|0,0,2]=4 9675 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [0,1,0,1,0,0|0,0,2]=4 9676 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [0,1,0,1,0,0|0,0,2]=4 9677 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [0,1,0,1,0,0|0,0,2]=4 9678 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [0,1,0,1,0,0|1,0,0]=3 9679 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [0,1,0,1,0,0|1,0,0]=3 9680 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [0,1,0,1,0,0|2,0,0]=4 9681 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [0,1,0,1,0,0|2,0,0]=4 9682 B11R1.17 CC=CCN1CCCCC1C 2230a_100000211376_100000070051 [0,1,0,1,0,0|2,0,0]=4 9683 B11R1.17 CC=CCN1CCCCC1C 34a_100000211376_100000070051 [0,1,0,1,0,0|2,0,0]=4 9684 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [0,1,0,1,0,0|1,0,1]=4 9685 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [0,1,0,1,0,0|1,0,1]=4 9686 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [0,1,0,1,0,0|1,0,1]=4 9687 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [0,1,0,1,0,0|1,0,1]=4 9688 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [0,1,0,1,0,0|0,0,0]=2 9689 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [0,1,0,1,0,0|0,0,0]=2 9690 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,1,0,1,0,0|1,0,0]=3 9691 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,1,0,1,0,0|1,0,0]=3 9692 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [0,1,0,1,0,0|0,0,0]=2 9693 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [0,1,0,1,0,0|0,0,0]=2 9694 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,1,0,1,0,0|2,0,0]=4 9695 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,1,0,1,0,0|1,0,0]=3 9696 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,1,0,1,0,0|1,0,0]=3 9697 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [0,1,0,1,0,0|0,0,0]=2 9698 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [0,1,0,1,0,0|0,0,0]=2 9699 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [0,1,0,1,0,0|2,0,0]=4 9700 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [0,1,0,1,0,0|2,0,0]=4 9701 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,1,0,1,0,0|1,0,1]=4 9702 B11R1.17 CCNCC1CCCCN1C 34a_100011228421_100000210202 [0,1,0,1,0,0|1,0,1]=4 9703 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,1,0,1,0,0|1,0,0]=3 9704 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,1,0,1,0,0|1,0,0]=3 9705 B11R1.17 CN1CCCCC1CNCF 34a_100011228421_100015361967 [0,1,0,1,0,0|1,0,1]=4 9706 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [0,1,0,1,0,0|2,0,0]=4 9707 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [0,1,0,1,0,0|2,0,0]=4 9708 B11R1.17 COCCC1NCCNC1=O 34a_100000044719_200000210301 [0,1,0,1,0,0|1,0,0]=3 9709 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [0,1,0,1,0,0|0,0,2]=4 9710 B11R1.17 COCNC1CCCNC1=O 2230a_100000747585_100000766300 [0,1,0,1,0,0|1,0,0]=3 9711 B11R1.17 COCSC1CCCCC1=O 62a_100000204591_100000766300 [0,1,0,1,0,0|2,0,0]=4 9712 B11R1.17 COCSC1CCCCC1=O 62a_100000766300_100000204591 [0,1,0,1,0,0|2,0,0]=4 9713 B11R1.17 COCSC1CCCNC1=O 62a_100000687798_100000766300 [0,1,0,1,0,0|1,0,0]=3 9714 B11R1.17 COCSC1CCCNC1=O 62a_100000766300_100000687798 [0,1,0,1,0,0|1,0,0]=3 9715 B11R1.17 CSCNC1CCCCC1C 2230a_100000211402_100011218213 [0,1,0,1,0,0|0,1,1]=4 9716 B11R1.17 CSCNC1CCCCC1C 34a_100000211402_100011218213 [0,1,0,1,0,0|0,1,1]=4 9717 B11R1.17 CSCNC1CCCNC1=O 2230a_100000747585_100011218213 [0,1,0,1,0,0|1,0,0]=3 9718 B11R1.17 CSCNC1CCCNC1=O 34a_100000747585_100011218213 [0,1,0,1,0,0|1,0,0]=3 9719 B11R1.17 CSCOC1CCCCC1=O 34a_100011214950_100011218213 [0,1,0,1,0,0|2,0,0]=4 9720 B11R1.17 CSCOC1CCCNC1=O 34a_100000073722_100011218213 [0,1,0,1,0,0|1,0,0]=3 9721 B11R1.17 CSCSC1CCCCC1=O 62a_100000204591_100011218213 [0,1,0,1,0,0|2,0,0]=4 9722 B11R1.17 CSCSC1CCCCC1=O 62a_100011218213_100000204591 [0,1,0,1,0,0|2,0,0]=4 9723 B11R1.17 CSCSC1CCCNC1=O 62a_100000687798_100011218213 [0,1,0,1,0,0|1,0,0]=3 9724 B11R1.17 CSCSC1CCCNC1=O 62a_100011218213_100000687798 [0,1,0,1,0,0|1,0,0]=3 9725 B11R1.17 N#CCNC1CCCNC1=O 2230a_100000747585_100011215382 [0,1,0,1,0,0|1,0,1]=4 9726 B11R1.17 N#CCSC1CCCNC1=O 62a_100000687798_100011215382 [0,1,0,1,0,0|1,0,1]=4 9727 B11R1.17 N#CCSC1CCCNC1=O 62a_100011215382_100000687798 [0,1,0,1,0,0|1,0,1]=4 9728 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [0,1,0,1,0,0|2,0,0]=4 9729 B11R1.17 NCCOC1CCCNC1=O 34a_100000210304_100000687798 [0,1,0,1,0,0|1,0,0]=3 9730 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [0,1,0,1,0,0|2,0,0]=4 9731 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [0,1,0,1,0,0|2,0,0]=4 9732 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [0,1,0,1,0,0|2,0,0]=4 9733 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [0,1,0,1,0,0|2,0,0]=4 9734 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [0,1,0,1,0,0|2,0,0]=4 9735 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [0,1,0,1,0,0|2,0,0]=4 9736 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [0,1,0,1,0,0|2,0,0]=4 9737 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,1,0,1,0,0|2,0,0]=4 9738 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [0,1,0,1,0,0|2,0,0]=4 9739 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [0,1,0,1,0,0|2,0,0]=4 9740 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [0,1,0,1,0,0|2,0,0]=4 9741 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [0,1,0,1,0,0|2,0,0]=4 9742 B11R1.17 O=C1NCCCC1NCCF 2230a_100000747585_100011217306 [0,1,0,1,0,0|1,0,0]=3 9743 B11R1.17 O=C1NCCCC1NCCF 34a_100000724931_100000687798 [0,1,0,1,0,0|1,0,0]=3 9744 B11R1.17 O=C1NCCCC1NCCF 34a_100000747585_100011217306 [0,1,0,1,0,0|1,0,0]=3 9745 B11R1.17 O=C1NCCCC1NCCO 2230a_100000747585_100000211926 [0,1,0,1,0,0|1,0,0]=3 9746 B11R1.17 O=C1NCCCC1NCCO 2230a_100016997473_100000687798 [0,1,0,1,0,0|1,0,0]=3 9747 B11R1.17 O=C1NCCCC1NCCO 34a_100000747585_100000211926 [0,1,0,1,0,0|1,0,0]=3 9748 B11R1.17 O=C1NCCCC1NCCO 34a_100016990907_100000687798 [0,1,0,1,0,0|1,0,0]=3 9749 B11R1.17 O=C1NCCCC1OCCBr 34a_100000211926_100000687798 [0,1,0,1,0,0|1,0,0]=3 9750 B11R1.17 O=C1NCCCC1OCCF 34a_100000073722_100011217306 [0,1,0,1,0,0|1,0,0]=3 9751 B11R1.17 O=C1NCCCC1OCCO 34a_100000073722_100000211926 [0,1,0,1,0,0|1,0,0]=3 9752 B11R1.17 O=C1NCCCC1SCCF 62a_100000687798_100011217306 [0,1,0,1,0,0|1,0,0]=3 9753 B11R1.17 O=C1NCCCC1SCCF 62a_100011217306_100000687798 [0,1,0,1,0,0|1,0,0]=3 9754 B11R1.17 O=C1NCCCC1SCCO 62a_100000211926_100000687798 [0,1,0,1,0,0|1,0,0]=3 9755 B11R1.17 O=C1NCCCC1SCCO 62a_100000687798_100000211926 [0,1,0,1,0,0|1,0,0]=3 9756 B11R1.17 O=CCNC1CCCNC1=O 2230a_100000747585_200015260668 [0,1,0,1,0,0|1,0,1]=4 9757 B11R1.17 O=CCNC1CCCNC1=O 34a_100000747585_200009817547 [0,1,0,1,0,0|1,0,1]=4 9758 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [0,1,0,1,0,0|1,0,0]=3 9759 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [0,1,0,1,0,0|1,0,0]=3 9760 B11R1.17 O=CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200015260668 [0,1,0,1,0,0|2,0,0]=4 9761 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200015260668 [0,1,0,1,0,0|2,0,0]=4 9762 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_200009817547 [0,1,0,1,0,0|2,0,0]=4 9763 B11R1.17 O=CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_200015260668 [0,1,0,1,0,0|2,0,0]=4 9764 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [0,1,0,1,0,0|2,0,0]=4 9765 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [0,1,0,1,0,0|2,0,0]=4 9766 B11R1.17 O=CCOC1CCCNC1=O 34a_100000073722_200009817547 [0,1,0,1,0,0|1,0,1]=4 9767 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [0,1,0,1,0,0|2,0,0]=4 9768 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [0,1,0,1,0,0|2,0,0]=4 9769 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [0,1,0,1,0,0|2,0,0]=4 9770 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [0,1,0,1,0,0|2,0,0]=4 9771 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [0,1,0,1,0,0|2,0,0]=4 9772 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [0,1,0,1,0,0|2,0,0]=4 9773 B11R1.17 O=CCSC1CCCNC1=O 62a_100000687798_200015260668 [0,1,0,1,0,0|1,0,1]=4 9774 B11R1.17 O=CCSC1CCCNC1=O 62a_200015260668_100000687798 [0,1,0,1,0,0|1,0,1]=4 9775 B11R1.17 OC1CCCCC1CNCF 34a_100011216029_100015361967 [0,1,0,1,0,0|1,0,1]=4 9776 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [0,1,0,1,0,0|2,0,0]=4 9777 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [0,1,0,1,0,0|2,0,0]=4 9778 B11R1.17 [13CH3]OCCC1NCCNC1=O 34a_100000044719_200025704644 [0,1,0,1,0,0|1,0,0]=3 9779 B11R1.18 C/C=C/CN1CCCC1CC 269982a_100000754278_100102629194 [0,1,0,1,0,0|2,0,0]=4 9780 B11R1.18 C/C=C/CN1CCCC1CC 34a_100000754278_100102629194 [0,1,0,1,0,0|2,0,0]=4 9781 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [0,1,0,1,0,0|2,0,0]=4 9782 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [0,1,0,1,0,0|2,0,0]=4 9783 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [0,1,0,1,0,0|2,0,0]=4 9784 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [0,1,0,1,0,0|1,0,0]=3 9785 B11R1.18 CC=CCN1CCCC1CC 2230a_100000754278_100000070051 [0,1,0,1,0,0|2,0,0]=4 9786 B11R1.18 CC=CCN1CCCC1CC 34a_100000754278_100000070051 [0,1,0,1,0,0|2,0,0]=4 9787 B11R1.18 CCC1CCCC1NCCF 269862a_100000724931_100000749056 [0,1,0,1,0,0|1,0,1]=4 9788 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [0,1,0,1,0,0|0,0,2]=4 9789 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [0,1,0,1,0,0|0,0,2]=4 9790 B11R1.18 CCCNC1CCCC1CC 269862a_100020643023_100000749056 [0,1,0,1,0,0|1,0,1]=4 9791 B11R1.18 CCCNC1CCCC1CC 270004a_100020643023_100000749056 [0,1,0,1,0,0|1,0,1]=4 9792 B11R1.18 CCNCC1CCCN1CC 2230a_100000211693_100000210202 [0,1,0,1,0,0|1,0,1]=4 9793 B11R1.18 CCOC[C@H]1CCCN1CC 34a_100011739246_100000210202 [0,1,0,1,0,0|1,0,1]=4 9794 B11R1.18 CCOC[C@H]1CCCN1CC 7a_100011739246_100000210202 [0,1,0,1,0,0|1,0,1]=4 9795 B11R1.28 C#CCNCC1CCCCC1 2230a_100000210473_100000038162 [0,1,0,1,0,0|1,0,1]=4 9796 B11R1.28 C#CCNCC1CCCCC1 34a_100000210473_100000184674 [0,1,0,1,0,0|1,0,1]=4 9797 B11R1.28 C#CCNCC1CCCCC1 34a_100000212058_100000211423 [0,1,0,1,0,0|1,0,1]=4 9798 B11R1.28 C/C=C/CNC1CCCCC1 34a_100000182618_100102629194 [0,1,0,1,0,0|2,0,0]=4 9799 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [0,1,0,1,0,0|2,0,0]=4 9800 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [0,1,0,1,0,0|2,0,0]=4 9801 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [0,1,0,1,0,0|2,0,0]=4 9802 B11R1.28 C/C=C/CSC1CCCCC1 62a_100000210327_100102629194 [0,1,0,1,0,0|2,0,0]=4 9803 B11R1.28 C/C=C/CSC1CCCCC1 62a_100102629194_100000210327 [0,1,0,1,0,0|2,0,0]=4 9804 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [0,1,0,1,0,0|2,0,0]=4 9805 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [0,1,0,1,0,0|2,0,0]=4 9806 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [0,1,0,1,0,0|2,0,0]=4 9807 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [0,1,0,1,0,0|2,0,0]=4 9808 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [0,1,0,1,0,0|2,0,0]=4 9809 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [0,1,0,1,0,0|2,0,0]=4 9810 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [0,1,0,1,0,0|2,0,0]=4 9811 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [0,1,0,1,0,0|2,0,0]=4 9812 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [0,1,0,1,0,0|1,0,0]=3 9813 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [0,1,0,1,0,0|1,0,0]=3 9814 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [0,1,0,1,0,0|1,0,0]=3 9815 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [0,1,0,1,0,0|2,0,0]=4 9816 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [0,1,0,1,0,0|2,0,0]=4 9817 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [0,1,0,1,0,0|2,0,0]=4 9818 B11R1.28 C=CCNCC1CCCOC1 2230a_100000720124_100000210623 [0,1,0,1,0,0|2,0,0]=4 9819 B11R1.28 C=CCNCC1CCCOC1 2230a_100020586998_100000741521 [0,1,0,1,0,0|2,0,0]=4 9820 B11R1.28 C=CCNCC1CCCOC1 34a_100000720124_100015514636 [0,1,0,1,0,0|2,0,0]=4 9821 B11R1.28 C=CCNCC1CCOCC1 2230a_100000746373_100000210623 [0,1,0,1,0,0|2,0,0]=4 9822 B11R1.28 C=CCNCC1CCOCC1 2230a_100020586998_100000754603 [0,1,0,1,0,0|2,0,0]=4 9823 B11R1.28 C=CCNCC1CCOCC1 34a_100000746373_100015514636 [0,1,0,1,0,0|2,0,0]=4 9824 B11R1.28 C=CCNCC1CCSCC1 2230a_100015188806_100000210623 [0,1,0,1,0,0|2,0,0]=4 9825 B11R1.28 C=CCNCC1CCSCC1 270004a_100020586998_100000067145 [0,1,0,1,0,0|2,0,0]=4 9826 B11R1.28 C=CCNCC1CCSCC1 34a_100015188806_100015514636 [0,1,0,1,0,0|2,0,0]=4 9827 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [0,1,0,1,0,0|2,0,0]=4 9828 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [0,1,0,1,0,0|2,0,0]=4 9829 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [0,1,0,1,0,0|2,0,0]=4 9830 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [0,1,0,1,0,0|2,0,0]=4 9831 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [0,1,0,1,0,0|2,0,0]=4 9832 B11R1.28 CC=CCNC1CCCCC1 2230a_100000182618_100000070051 [0,1,0,1,0,0|2,0,0]=4 9833 B11R1.28 CC=CCNC1CCCCC1 34a_100000182618_100000070051 [0,1,0,1,0,0|2,0,0]=4 9834 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [0,1,0,1,0,0|2,0,0]=4 9835 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [0,1,0,1,0,0|2,0,0]=4 9836 B11R1.28 CC=CCSC1CCCCC1 62a_100000070051_100000210327 [0,1,0,1,0,0|2,0,0]=4 9837 B11R1.28 CC=CCSC1CCCCC1 62a_100000210327_100000070051 [0,1,0,1,0,0|2,0,0]=4 9838 B11R1.28 CC=NNCC1CCCCC1 4a_100000740227_200000210099 [0,1,0,1,0,0|1,0,0]=3 9839 B11R1.28 CC=NNCC1CCOCC1 4a_200000757053_200000210099 [0,1,0,1,0,0|2,0,0]=4 9840 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [0,1,0,1,0,0|2,0,0]=4 9841 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [0,1,0,1,0,0|2,0,0]=4 9842 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [0,1,0,1,0,0|2,0,0]=4 9843 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [0,1,0,1,0,0|2,0,0]=4 9844 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [0,1,0,1,0,0|2,0,0]=4 9845 B11R1.28 CCCCNC1CCNCC1 270004a_100000102301_100015192401 [0,1,0,1,0,0|1,0,1]=4 9846 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [0,1,0,1,0,0|2,0,0]=4 9847 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [0,1,0,1,0,0|2,0,0]=4 9848 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [0,1,0,1,0,0|2,0,0]=4 9849 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [0,1,0,1,0,0|2,0,0]=4 9850 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [0,1,0,1,0,0|2,0,0]=4 9851 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [0,1,0,1,0,0|2,0,0]=4 9852 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [0,1,0,1,0,0|1,0,1]=4 9853 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [0,1,0,1,0,0|1,0,1]=4 9854 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [0,1,0,1,0,0|1,0,1]=4 9855 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [0,1,0,1,0,0|2,0,0]=4 9856 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [0,1,0,1,0,0|1,0,1]=4 9857 B11R1.28 CCCOCC1CCNCC1 34a_100000738675_100000210303 [0,1,0,1,0,0|1,0,1]=4 9858 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [0,1,0,1,0,0|1,0,1]=4 9859 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [0,1,0,1,0,0|1,0,1]=4 9860 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [0,1,0,1,0,0|1,0,1]=4 9861 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [0,1,0,1,0,0|1,0,1]=4 9862 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [0,1,0,1,0,0|1,0,1]=4 9863 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [0,1,0,1,0,0|1,0,1]=4 9864 B11R1.28 CCNCCC1CCOCC1 2230a_100000755988_100000210202 [0,1,0,1,0,0|1,0,1]=4 9865 B11R1.28 CCNCCC1CCOCC1 2230a_100015525214_100011934994 [0,1,0,1,0,0|1,0,1]=4 9866 B11R1.28 CCNCCC1CCOCC1 34a_100000755988_100000210202 [0,1,0,1,0,0|1,0,1]=4 9867 B11R1.28 CCNCCN1CCCCC1 2230a_100015525214_100000739454 [0,1,0,1,0,0|1,0,1]=4 9868 B11R1.28 CCNCOC1CCCCC1 2230a_100015525214_100011935260 [0,1,0,1,0,0|1,0,1]=4 9869 B11R1.28 CCOCCC1CCNCC1 34a_100015190746_100000210202 [0,1,0,1,0,0|1,0,1]=4 9870 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [0,1,0,1,0,0|1,0,1]=4 9871 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [0,1,0,1,0,0|0,0,2]=4 9872 B11R1.28 CSCNCC1CCCCC1 2230a_100000210473_100011218213 [0,1,0,1,0,0|0,1,1]=4 9873 B11R1.28 CSCNCC1CCCCC1 34a_100000210473_100011218213 [0,1,0,1,0,0|0,1,1]=4 9874 B11R1.28 FCCNCC1CCCCC1 2230a_100000210473_100011217306 [0,1,0,1,0,0|1,0,1]=4 9875 B11R1.28 FCCNCC1CCCCC1 269862a_100000724931_100000211278 [0,1,0,1,0,0|1,0,1]=4 9876 B11R1.28 FCCNCC1CCCCC1 34a_100000210473_100011217306 [0,1,0,1,0,0|1,0,1]=4 9877 B11R1.28 FCCNCC1CCCCC1 34a_100000724931_100000211423 [0,1,0,1,0,0|1,0,1]=4 9878 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [0,1,0,1,0,0|1,0,1]=4 9879 B11R1.28 FCNCCC1CCCCO1 34a_100015183643_100015361967 [0,1,0,1,0,0|1,0,1]=4 9880 B11R1.28 FCNCCC1CCOCC1 34a_100000755988_100015361967 [0,1,0,1,0,0|1,0,1]=4 9881 B11R1.28 N#CCNCC1CCCCC1 2230a_100000210473_100011215382 [0,1,0,1,0,0|1,0,1]=4 9882 B11R1.28 O=CCCCN1CCCOC1 2230a_100000131196_200011292268 [0,1,0,1,0,0|2,0,0]=4 9883 B11R1.28 O=CCCCN1CCCOC1 269982a_100000131196_200011292268 [0,1,0,1,0,0|2,0,0]=4 9884 B11R1.28 O=CCCCN1CCOCC1 2230a_100015191051_200011292268 [0,1,0,1,0,0|2,0,0]=4 9885 B11R1.28 O=CCCCN1CCOCC1 269982a_100015191051_200011292268 [0,1,0,1,0,0|2,0,0]=4 9886 B11R1.28 O=CCCCN1CCSCC1 2230a_100000737611_200011292268 [0,1,0,1,0,0|2,0,0]=4 9887 B11R1.28 O=CCCCN1CCSCC1 269982a_100000737611_200011292268 [0,1,0,1,0,0|2,0,0]=4 9888 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [0,1,0,1,0,0|0,0,0]=2 9889 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [0,1,0,1,0,0|0,0,0]=2 9890 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [0,1,0,1,0,0|1,0,0]=3 9891 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [0,1,0,1,0,0|1,0,0]=3 9892 B11R1.28 O=CCNCC1CCCOC1 2230a_100000720124_200015260668 [0,1,0,1,0,0|1,0,0]=3 9893 B11R1.28 O=CCNCC1CCCOC1 34a_100000720124_200009817547 [0,1,0,1,0,0|1,0,0]=3 9894 B11R1.28 O=CCNCC1CCOCC1 2230a_100000746373_200015260668 [0,1,0,1,0,0|1,0,0]=3 9895 B11R1.28 O=CCNCC1CCOCC1 34a_100000746373_200009817547 [0,1,0,1,0,0|1,0,0]=3 9896 B11R1.28 O=CCNCC1CCSCC1 2230a_100015188806_200015260668 [0,1,0,1,0,0|1,0,0]=3 9897 B11R1.28 O=CCNCC1CCSCC1 34a_100015188806_200009817547 [0,1,0,1,0,0|1,0,0]=3 9898 B11R1.28 O=CCNC[C@H]1COCCO1 2230a_100010981119_200015260668 [0,1,0,1,0,0|2,0,0]=4 9899 B11R1.28 O=CCNC[C@H]1COCCO1 34a_100010981119_200009817547 [0,1,0,1,0,0|2,0,0]=4 9900 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [0,1,0,1,0,0|1,0,0]=3 9901 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [0,1,0,1,0,0|1,0,0]=3 9902 B11R1.28 O=CCOCC1CCCCN1 34a_100000210821_200009817547 [0,1,0,1,0,0|2,0,0]=4 9903 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [0,1,0,1,0,0|2,0,0]=4 9904 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [0,1,0,1,0,0|2,0,0]=4 9905 B11R1.28 O=CCOCC1CCCNC1 34a_100000211344_200009817547 [0,1,0,1,0,0|2,0,0]=4 9906 B11R1.28 O=CCOCC1CCCOC1 34a_100000741520_200009817547 [0,1,0,1,0,0|2,0,0]=4 9907 B11R1.28 O=CCOCC1CCNCC1 34a_100000738675_200009817547 [0,1,0,1,0,0|2,0,0]=4 9908 B11R1.28 O=CCOCC1CCOCC1 34a_100000749013_200009817547 [0,1,0,1,0,0|2,0,0]=4 9909 B11R1.28 O=CCOCC1CCSCC1 34a_100000070558_200009817547 [0,1,0,1,0,0|2,0,0]=4 9910 B11R1.28 O=CCOCC1CCSCC1 7a_100000070558_200015260668 [0,1,0,1,0,0|2,0,0]=4 9911 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [0,1,0,1,0,0|1,0,0]=3 9912 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [0,1,0,1,0,0|1,0,0]=3 9913 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [0,1,0,1,0,0|2,0,0]=4 9914 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [0,1,0,1,0,0|2,0,0]=4 9915 B11R1.28 O=CCSCC1CCCOC1 62a_100000741521_200015260668 [0,1,0,1,0,0|2,0,0]=4 9916 B11R1.28 O=CCSCC1CCCOC1 62a_200015260668_100000741521 [0,1,0,1,0,0|2,0,0]=4 9917 B11R1.28 O=CCSCC1CCOCC1 62a_100000754603_200015260668 [0,1,0,1,0,0|2,0,0]=4 9918 B11R1.28 O=CCSCC1CCOCC1 62a_200015260668_100000749018 [0,1,0,1,0,0|2,0,0]=4 9919 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [0,1,0,1,0,0|0,0,2]=4 9920 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [0,1,0,1,0,0|0,0,2]=4 9921 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [0,1,0,1,0,0|0,0,2]=4 9922 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [0,1,0,1,0,0|0,0,2]=4 9923 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [0,1,0,1,0,0|0,0,2]=4 9924 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [0,1,0,1,0,0|1,0,1]=4 9925 B11R1.41 C#CC1CCCCN1CC=O 2230a_200020621307_200015260668 [0,1,0,1,0,0|0,0,2]=4 9926 B11R1.41 C#CC1CCCCN1CC=O 269982a_200020621307_200015260668 [0,1,0,1,0,0|0,0,2]=4 9927 B11R1.41 C#CC1CCCCN1CC=O 34a_200020621307_200009817547 [0,1,0,1,0,0|0,0,2]=4 9928 B11R1.41 C#CCN1CCCCC1CC 2230a_100000210034_100000038162 [0,1,0,1,0,0|1,0,1]=4 9929 B11R1.41 C#CCN1CCCCC1CC 34a_100000210034_100000184674 [0,1,0,1,0,0|1,0,1]=4 9930 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [0,1,0,1,0,0|2,0,0]=4 9931 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [0,1,0,1,0,0|2,0,0]=4 9932 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [0,1,0,1,0,0|1,0,0]=3 9933 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [0,1,0,1,0,0|1,0,0]=3 9934 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [0,1,0,1,0,0|1,0,0]=3 9935 B11R1.41 C=CCN1CCCCC1CO 2230a_100000210821_100000210623 [0,1,0,1,0,0|2,0,0]=4 9936 B11R1.41 C=CCN1CCCCC1CO 269982a_100000210821_100000210623 [0,1,0,1,0,0|2,0,0]=4 9937 B11R1.41 C=CCN1CCCCC1CO 34a_100000210821_100015514636 [0,1,0,1,0,0|2,0,0]=4 9938 B11R1.41 C=CCN1CCOC[C@@H]1CC 2230a_100016988097_100000210623 [0,1,0,1,0,0|2,0,0]=4 9939 B11R1.41 C=CCN1CCOC[C@@H]1CC 269982a_100016988097_100000210623 [0,1,0,1,0,0|2,0,0]=4 9940 B11R1.41 C=CCN1CCOC[C@@H]1CC 34a_100016988097_100015514636 [0,1,0,1,0,0|2,0,0]=4 9941 B11R1.41 CCC1CCCCN1CC#N 2230a_100000210034_100011215382 [0,1,0,1,0,0|1,0,1]=4 9942 B11R1.41 CCC1CCCCN1CC#N 269982a_100000210034_100011214920 [0,1,0,1,0,0|1,0,1]=4 9943 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [0,1,0,1,0,0|0,0,0]=2 9944 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [0,1,0,1,0,0|0,0,0]=2 9945 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [0,1,0,1,0,0|0,0,0]=2 9946 B11R1.41 CCC1CCCCN1CCF 2230a_100000210034_100011217306 [0,1,0,1,0,0|1,0,1]=4 9947 B11R1.41 CCC1CCCCN1CCF 269982a_100000210034_100011217306 [0,1,0,1,0,0|1,0,1]=4 9948 B11R1.41 CCC1CCCCN1CCF 34a_100000210034_100011217306 [0,1,0,1,0,0|1,0,1]=4 9949 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 9950 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 9951 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 9952 B11R1.41 CCC1CCCCN1COC 2230a_100000210034_100000766300 [0,1,0,1,0,0|0,0,2]=4 9953 B11R1.41 CCC1CCCCN1COC 269982a_100000210034_100000766300 [0,1,0,1,0,0|0,0,2]=4 9954 B11R1.41 CCC1CCCCN1CSC 2230a_100000210034_100011218213 [0,1,0,1,0,0|0,1,1]=4 9955 B11R1.41 CCC1CCCCN1CSC 269982a_100000210034_100011218213 [0,1,0,1,0,0|0,1,1]=4 9956 B11R1.41 CCC1CCCCN1CSC 34a_100000210034_100011218213 [0,1,0,1,0,0|0,1,1]=4 9957 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [0,1,0,1,0,0|1,0,1]=4 9958 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [0,1,0,1,0,0|1,0,1]=4 9959 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [0,1,0,1,0,0|1,0,1]=4 9960 B11R1.41 CCCC1CCCCN1CF 269982a_100000701414_100015361967 [0,1,0,1,0,0|1,0,1]=4 9961 B11R1.41 CCCC1CCCCN1CF 34a_100000701414_100015361967 [0,1,0,1,0,0|1,0,1]=4 9962 B11R1.41 CCCC1COCCN1CC 2230a_102495339903_100000210202 [0,1,0,1,0,0|1,0,1]=4 9963 B11R1.41 CCCC1COCCN1CC 269982a_102495339903_100000204670 [0,1,0,1,0,0|1,0,1]=4 9964 B11R1.41 CCCC1COCCN1CC 34a_102495339903_100000210202 [0,1,0,1,0,0|1,0,1]=4 9965 B11R1.41 CCCC1COCCN1CF 269982a_102495339903_100015361967 [0,1,0,1,0,0|1,0,1]=4 9966 B11R1.41 CCCC1COCCN1CF 34a_102495339903_100015361967 [0,1,0,1,0,0|1,0,1]=4 9967 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [0,1,0,1,0,0|1,0,1]=4 9968 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [0,1,0,1,0,0|1,0,1]=4 9969 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [0,1,0,1,0,0|1,0,1]=4 9970 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [0,1,0,1,0,0|1,0,1]=4 9971 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [0,1,0,1,0,0|1,0,1]=4 9972 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [0,1,0,1,0,0|1,0,1]=4 9973 B11R1.41 CCN1CCCCC1CNC 2230a_100000754393_200000210301 [0,1,0,1,0,0|1,0,1]=4 9974 B11R1.41 CCN1CCCCC1CNC 34a_100000754393_200000210301 [0,1,0,1,0,0|1,0,1]=4 9975 B11R1.41 CCN1CCCCC1CN[13CH3] 2230a_100000754393_200025704644 [0,1,0,1,0,0|1,0,1]=4 9976 B11R1.41 CCN1CCCCC1CN[13CH3] 34a_100000754393_200025704644 [0,1,0,1,0,0|1,0,1]=4 9977 B11R1.41 CCN1CCCCC1COC 2230a_100015184032_100000210202 [0,1,0,1,0,0|1,0,1]=4 9978 B11R1.41 CCN1CCCCC1COC 269982a_100015184032_100000204670 [0,1,0,1,0,0|1,0,1]=4 9979 B11R1.41 CCN1CCCCC1COC 34a_100000225091_200000210301 [0,1,0,1,0,0|1,0,1]=4 9980 B11R1.41 CCN1CCCCC1COC 34a_100015184032_100000210202 [0,1,0,1,0,0|1,0,1]=4 9981 B11R1.41 CCN1CCCCC1COC 7a_100000225091_200000210301 [0,1,0,1,0,0|1,0,1]=4 9982 B11R1.41 CCN1CCCCC1CO[13CH3] 34a_100000225091_200025704644 [0,1,0,1,0,0|1,0,1]=4 9983 B11R1.41 CCN1CCCCC1CO[13CH3] 7a_100000225091_200025704644 [0,1,0,1,0,0|1,0,1]=4 9984 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [0,1,0,1,0,0|1,0,1]=4 9985 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [0,1,0,1,0,0|1,0,1]=4 9986 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [0,1,0,1,0,0|1,0,1]=4 9987 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [0,1,0,1,0,0|1,0,1]=4 9988 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [0,1,0,1,0,0|1,0,1]=4 9989 B11R1.41 CC[C@H]1COCCN1CC=O 2230a_100016988097_200015260668 [0,1,0,1,0,0|1,0,0]=3 9990 B11R1.41 CC[C@H]1COCCN1CC=O 269982a_100016988097_200015260668 [0,1,0,1,0,0|1,0,0]=3 9991 B11R1.41 CC[C@H]1COCCN1CC=O 34a_100016988097_200009817547 [0,1,0,1,0,0|1,0,0]=3 9992 B11R1.41 COC1CCCCC1NCF 34a_100011208099_100015361967 [0,1,0,1,0,0|1,0,1]=4 9993 B11R1.41 COCC1CCCCN1CF 269982a_100015184032_100015361967 [0,1,0,1,0,0|1,0,1]=4 9994 B11R1.41 COCC1CCCCN1CF 34a_100015184032_100015361967 [0,1,0,1,0,0|1,0,1]=4 9995 B11R1.41 N#CC1CCCCN1CC=O 34a_100016989756_200009817547 [0,1,0,1,0,0|1,0,1]=4 9996 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [0,1,0,1,0,0|1,0,0]=3 9997 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [0,1,0,1,0,0|1,0,0]=3 9998 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [0,1,0,1,0,0|1,0,0]=3 9999 B11R1.41 O=CCN1CCOC[C@H]1CO 2230a_100000717676_200015260668 [0,1,0,1,0,0|2,0,0]=4 10000 B11R1.41 O=CCN1CCOC[C@H]1CO 269982a_100000717676_200015260668 [0,1,0,1,0,0|2,0,0]=4 10001 B11R1.41 O=CCN1CCOC[C@H]1CO 34a_100000717676_200009817547 [0,1,0,1,0,0|2,0,0]=4 10002 B11R1.41 OCCC1CCCCN1CF 269982a_100000211664_100015361967 [0,1,0,1,0,0|1,0,1]=4 10003 B11R1.41 OCCC1CCCCN1CF 34a_100000211664_100015361967 [0,1,0,1,0,0|1,0,1]=4 10004 B11R1.47 C/C=C/CCOCC1CCC1 34a_100016278192_100000763275 [0,1,0,1,0,0|2,0,0]=4 10005 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [0,1,0,1,0,0|2,0,0]=4 10006 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [0,1,0,1,0,0|2,0,0]=4 10007 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [0,1,0,1,0,0|2,0,0]=4 10008 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [0,1,0,1,0,0|2,0,0]=4 10009 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [0,1,0,1,0,0|2,0,0]=4 10010 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [0,1,0,1,0,0|2,0,0]=4 10011 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [0,1,0,1,0,0|2,0,0]=4 10012 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [0,1,0,1,0,0|2,0,0]=4 10013 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [0,1,0,1,0,0|2,0,0]=4 10014 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [0,1,0,1,0,0|2,0,0]=4 10015 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [0,1,0,1,0,0|2,0,0]=4 10016 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [0,1,0,1,0,0|2,0,0]=4 10017 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [0,1,0,1,0,0|2,0,0]=4 10018 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [0,1,0,1,0,0|2,0,0]=4 10019 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [0,1,0,1,0,0|2,0,0]=4 10020 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [0,1,0,1,0,0|2,0,0]=4 10021 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [0,1,0,1,0,0|2,0,0]=4 10022 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [0,1,0,1,0,0|2,0,0]=4 10023 B11R1.47 C=COCCCNC1CCC1 270004a_100000210767_100000241760 [0,1,0,1,0,0|2,0,0]=4 10024 B11R1.47 C=COCCCNC1CCC1 34a_100000210767_100000749161 [0,1,0,1,0,0|2,0,0]=4 10025 B11R1.47 C=COCCNCC1CCC1 2230a_100000738700_100000039644 [0,1,0,1,0,0|2,0,0]=4 10026 B11R1.47 C=COCCNCC1CCC1 34a_100000738700_100000039644 [0,1,0,1,0,0|2,0,0]=4 10027 B11R1.47 C=COCCOCC1CCC1 34a_100000033082_100000763275 [0,1,0,1,0,0|2,0,0]=4 10028 B11R1.47 C=COCCOCC1CCC1 34a_100000760304_100000039644 [0,1,0,1,0,0|2,0,0]=4 10029 B11R1.47 C=COCCSCC1CCC1 62a_100000039644_100000763275 [0,1,0,1,0,0|2,0,0]=4 10030 B11R1.47 C=COCCSCC1CCC1 62a_100000763275_100000039644 [0,1,0,1,0,0|2,0,0]=4 10031 B11R1.47 CC=CCCCOC1CCC1 34a_100020645299_100000749161 [0,1,0,1,0,0|2,0,0]=4 10032 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,1,0,1,0,0|1,0,1]=4 10033 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [0,1,0,1,0,0|1,0,0]=3 10034 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [0,1,0,1,0,0|1,0,0]=3 10035 B11R1.47 O=CCCCCNC1COC1 2230a_100016991112_100000139335 [0,1,0,1,0,0|2,0,0]=4 10036 B11R1.47 O=CCCCCOC1CSC1 7a_100000072292_100000139335 [0,1,0,1,0,0|2,0,0]=4 10037 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [0,1,0,1,0,0|1,0,0]=3 10038 B11R1.47 O=CCCCCSC1COC1 62a_100000139335_100009818527 [0,1,0,1,0,0|2,0,0]=4 10039 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [0,1,0,1,0,0|1,0,0]=3 10040 B11R1.47 O=CCCCNCC1COC1 2230a_100015281925_200011292268 [0,1,0,1,0,0|2,0,0]=4 10041 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [0,1,0,1,0,0|2,0,0]=4 10042 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [0,1,0,1,0,0|1,0,0]=3 10043 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [0,1,0,1,0,0|1,0,0]=3 10044 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [0,1,0,1,0,0|2,0,0]=4 10045 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [0,1,0,1,0,0|2,0,0]=4 10046 B11R1.47 O=CCCCSCC1COC1 62a_100010264016_200011292268 [0,1,0,1,0,0|2,0,0]=4 10047 B11R1.47 O=CCCCSCC1COC1 62a_200011292268_100010264016 [0,1,0,1,0,0|2,0,0]=4 10048 B11R1.109 C=CCN1CCC[C@H]1COC 2230a_100020646714_100000210623 [0,1,0,1,0,0|2,0,0]=4 10049 B11R1.109 C=CCN1CCC[C@H]1COC 269982a_100020646714_100000210623 [0,1,0,1,0,0|2,0,0]=4 10050 B11R1.109 C=CCN1CCC[C@H]1COC 34a_100020646714_100015514636 [0,1,0,1,0,0|2,0,0]=4 10051 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [0,1,0,1,0,0|1,0,1]=4 10052 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [0,1,0,1,0,0|1,0,1]=4 10053 B11R1.109 COC[C@@H]1CCCN1CC=O 2230a_100020646714_200015260668 [0,1,0,1,0,0|1,0,0]=3 10054 B11R1.109 COC[C@@H]1CCCN1CC=O 269982a_100020646714_200015260668 [0,1,0,1,0,0|1,0,0]=3 10055 B11R1.109 COC[C@@H]1CCCN1CC=O 34a_100020646714_200009817547 [0,1,0,1,0,0|1,0,0]=3 10056 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [0,1,0,1,0,0|2,0,0]=4 10057 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [0,1,0,1,0,0|2,0,0]=4 10058 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [0,1,0,1,0,0|1,0,0]=3 10059 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,1,0,1,0,0|1,0,0]=3 10060 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,1,0,1,0,0|1,0,0]=3 10061 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,1,0,1,0,0|1,0,0]=3 10062 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,1,0,1,0,0|1,0,0]=3 10063 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,1,0,1,0,0|1,0,0]=3 10064 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,1,0,1,0,0|1,0,0]=3 10065 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [0,1,0,1,0,0|2,0,0]=4 10066 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [0,1,0,1,0,0|2,0,0]=4 10067 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [0,1,0,1,0,0|2,0,0]=4 10068 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [0,1,0,1,0,0|2,0,0]=4 10069 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [0,1,0,1,0,0|2,0,0]=4 10070 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [0,1,0,1,0,0|2,0,0]=4 10071 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [0,1,0,1,0,0|2,0,0]=4 10072 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [0,1,0,1,0,0|2,0,0]=4 10073 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [0,1,0,1,0,0|2,0,0]=4 10074 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [0,1,0,1,0,0|2,0,0]=4 10075 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [0,1,0,1,0,0|2,0,0]=4 10076 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [0,1,0,1,0,0|2,0,0]=4 10077 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [0,1,0,1,0,0|2,0,0]=4 10078 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [0,1,0,1,0,0|2,0,0]=4 10079 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [0,1,0,1,0,0|2,0,0]=4 10080 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [0,1,0,1,0,0|2,0,0]=4 10081 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [0,1,0,1,0,0|2,0,0]=4 10082 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [0,1,0,1,0,0|2,0,0]=4 10083 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [0,1,0,1,0,0|2,0,0]=4 10084 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [0,1,0,1,0,0|2,0,0]=4 10085 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [0,1,0,1,0,0|2,0,0]=4 10086 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,1,0,1,0,0|2,0,0]=4 10087 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [0,1,0,1,0,0|2,0,0]=4 10088 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [0,1,0,1,0,0|2,0,0]=4 10089 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,1,0,1,0,0|2,0,0]=4 10090 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,1,0,1,0,0|2,0,0]=4 10091 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,1,0,1,0,0|2,0,0]=4 10092 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [0,1,0,1,0,0|2,0,0]=4 10093 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [0,1,0,1,0,0|2,0,0]=4 10094 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [0,1,0,1,0,0|2,0,0]=4 10095 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [0,1,0,1,0,0|2,0,0]=4 10096 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [0,1,0,1,0,0|2,0,0]=4 10097 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [0,1,0,1,0,0|2,0,0]=4 10098 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [0,1,0,1,0,0|2,0,0]=4 10099 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [0,1,0,1,0,0|2,0,0]=4 10100 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,1,0,1,0,0|2,0,0]=4 10101 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,1,0,1,0,0|2,0,0]=4 10102 B11R1.203 C#CCNC1CCCCCC1 2230a_100000210984_100000038162 [0,1,0,1,0,0|1,0,1]=4 10103 B11R1.203 C#CCNC1CCCCCC1 34a_100000210984_100000184674 [0,1,0,1,0,0|1,0,1]=4 10104 B11R1.203 C#CCNC1CCCCCC1 34a_100000212058_100011217769 [0,1,0,1,0,0|1,0,1]=4 10105 B11R1.203 C/C=C/CN1CCCCCC1 269982a_100000185865_100102629194 [0,1,0,1,0,0|2,0,0]=4 10106 B11R1.203 C/C=C/CN1CCCCCC1 34a_100000185865_100102629194 [0,1,0,1,0,0|2,0,0]=4 10107 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [0,1,0,1,0,0|2,0,0]=4 10108 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [0,1,0,1,0,0|2,0,0]=4 10109 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [0,1,0,1,0,0|2,0,0]=4 10110 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [0,1,0,1,0,0|1,0,0]=3 10111 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [0,1,0,1,0,0|1,0,0]=3 10112 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [0,1,0,1,0,0|1,0,0]=3 10113 B11R1.203 C=CCNC1CCCNCC1 270004a_100020586998_100015187895 [0,1,0,1,0,0|2,0,0]=4 10114 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [0,1,0,1,0,0|2,0,0]=4 10115 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [0,1,0,1,0,0|2,0,0]=4 10116 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [0,1,0,1,0,0|2,0,0]=4 10117 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [0,1,0,1,0,0|2,0,0]=4 10118 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [0,1,0,1,0,0|2,0,0]=4 10119 B11R1.203 CC=CCN1CCCCCC1 2230a_100000185865_100000070051 [0,1,0,1,0,0|2,0,0]=4 10120 B11R1.203 CC=CCN1CCCCCC1 34a_100000185865_100000070051 [0,1,0,1,0,0|2,0,0]=4 10121 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [0,1,0,1,0,0|1,0,1]=4 10122 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [0,1,0,1,0,0|1,0,1]=4 10123 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [0,1,0,1,0,0|1,0,1]=4 10124 B11R1.203 CCCNC1CCCNCC1 270004a_100020643023_100015187895 [0,1,0,1,0,0|1,0,1]=4 10125 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [0,1,0,1,0,0|1,0,1]=4 10126 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [0,1,0,1,0,0|1,0,1]=4 10127 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [0,1,0,1,0,0|1,0,1]=4 10128 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [0,1,0,1,0,0|1,0,1]=4 10129 B11R1.203 COCNC1CCCCCC1 2230a_100000210984_100000766300 [0,1,0,1,0,0|0,0,2]=4 10130 B11R1.203 CSCNC1CCCCCC1 2230a_100000210984_100011218213 [0,1,0,1,0,0|0,1,1]=4 10131 B11R1.203 CSCNC1CCCCCC1 34a_100000210984_100011218213 [0,1,0,1,0,0|0,1,1]=4 10132 B11R1.203 FCCNC1CCCCCC1 2230a_100000210984_100011217306 [0,1,0,1,0,0|1,0,1]=4 10133 B11R1.203 FCCNC1CCCCCC1 34a_100000210984_100011217306 [0,1,0,1,0,0|1,0,1]=4 10134 B11R1.203 FCCNC1CCCCCC1 34a_100000724931_100011217769 [0,1,0,1,0,0|1,0,1]=4 10135 B11R1.203 FCNCC1CCCCCC1 34a_100015204231_100015361967 [0,1,0,1,0,0|1,0,1]=4 10136 B11R1.203 N#CCNC1CCCCCC1 2230a_100000210984_100011215382 [0,1,0,1,0,0|1,0,1]=4 10137 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [0,1,0,1,0,0|0,0,0]=2 10138 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [0,1,0,1,0,0|0,0,0]=2 10139 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [0,1,0,1,0,0|1,0,0]=3 10140 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [0,1,0,1,0,0|1,0,0]=3 10141 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [0,1,0,1,0,0|1,0,0]=3 10142 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [0,1,0,1,0,0|1,0,0]=3 10143 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [0,1,0,1,0,0|0,0,2]=4 10144 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [0,1,0,1,0,0|0,0,2]=4 10145 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [0,1,0,1,0,0|0,0,2]=4 10146 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [0,1,0,1,0,0|0,0,2]=4 10147 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,1,0,1,0,0|1,0,1]=4 10148 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,1,0,1,0,0|1,0,1]=4 10149 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,1,0,1,0,0|1,0,1]=4 10150 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [0,1,0,1,0,0|1,0,1]=4 10151 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [0,1,0,1,0,0|1,0,1]=4 10152 B11R1.1 CC1CCC(CC1)CNCF 34a_103436935547_100015361967 [0,1,0,1,0,0|1,0,1]=4 10153 B11R1.1 CC1CCC(CC1)OCC=O 34a_100000210714_200009817547 [0,1,0,1,0,0|2,0,0]=4 10154 B11R1.1 CC1CCC(CC1)OCC=O 7a_100000210714_200015260668 [0,1,0,1,0,0|2,0,0]=4 10155 B11R1.1 CC1CCC(CC1)SCC=O 62a_200015260668_200011216234 [0,1,0,1,0,0|2,0,0]=4 10156 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [0,1,0,1,0,0|1,0,1]=4 10157 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [0,1,0,1,0,0|1,0,1]=4 10158 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [0,1,0,1,0,0|1,0,1]=4 10159 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [0,1,0,1,0,0|1,0,1]=4 10160 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [0,1,0,1,0,0|1,0,1]=4 10161 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [0,1,0,1,0,0|1,0,1]=4 10162 B11R1.1 CCNCC1CCC(CC1)C 2230a_103436935547_100000210202 [0,1,0,1,0,0|1,0,1]=4 10163 B11R1.1 CCNCC1CCC(CC1)C 34a_103436935547_100000210202 [0,1,0,1,0,0|1,0,1]=4 10164 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 2230a_100020625639_200015260668 [0,1,0,1,0,0|2,0,0]=4 10165 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 34a_100020625639_200009817547 [0,1,0,1,0,0|2,0,0]=4 10166 B11R1.1 N[C@H]1CC[C@H](CC1)OCC=O 34a_100020628982_200009817547 [0,1,0,1,0,0|2,0,0]=4 10167 B11R1.13 CC1CCCC(C1C)NCF 34a_100000211273_100015361967 [0,1,0,1,0,0|1,0,1]=4 10168 B11R1.13 CCNC1CCCC(C1C)C 2230a_100000211273_100000210202 [0,1,0,1,0,0|1,0,1]=4 10169 B11R1.13 CCNC1CCCC(C1C)C 34a_100000211273_100000210202 [0,1,0,1,0,0|1,0,1]=4 10170 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,1,0,1,0,0|2,0,0]=4 10171 B11R1.25 CCN(C)CCC1CCCC1 2230a_100000225621_100000760354 [0,1,0,1,0,0|1,0,1]=4 10172 B11R1.25 CCN(C)CCC1CCCC1 269982a_100000225621_100000760354 [0,1,0,1,0,0|1,0,1]=4 10173 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,1,0,1,0,0|2,0,0]=4 10174 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000225621_100000211423 [0,1,0,1,0,0|1,0,1]=4 10175 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000736448_100000210202 [0,1,0,1,0,0|1,0,1]=4 10176 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000225621_100000211423 [0,1,0,1,0,0|1,0,1]=4 10177 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000736448_100000204670 [0,1,0,1,0,0|1,0,1]=4 10178 B11R1.40 CCN(C)CC1CCCCC1 34a_100000736448_100000210202 [0,1,0,1,0,0|1,0,1]=4 10179 B11R1.40 CN(CF)CC1CCCCC1 269982a_100000736448_100015361967 [0,1,0,1,0,0|1,0,1]=4 10180 B11R1.40 CN(CF)CC1CCCCC1 34a_100000736448_100015361967 [0,1,0,1,0,0|1,0,1]=4 10181 B11R1.212 CCCOC1CCN(C1=O)C 34a_100000210258_100000755940 [0,1,0,1,0,0|1,0,0]=3 10182 B11R1.212 CCCSC1CCN(C1=O)C 62a_100000210303_100000755940 [0,1,0,1,0,0|1,0,0]=3 10183 B11R1.212 CCCSC1CCN(C1=O)C 62a_100000755940_100000210303 [0,1,0,1,0,0|1,0,0]=3 10184 B11R1.212 CCOCC1CCN(C1=O)C 34a_100009823153_100000210202 [0,1,0,1,0,0|1,0,0]=3 10185 B11R1.212 CN1CCC(C1=O)COCF 34a_100009823153_100015361967 [0,1,0,1,0,0|2,0,0]=4 10186 B11R1.212 CN1CCC(C1=O)NCCF 34a_100000724931_100000755940 [0,1,0,1,0,0|2,0,0]=4 10187 B11R1.212 CN1CCC(C1=O)NCCO 2230a_100016997473_100000755940 [0,1,0,1,0,0|2,0,0]=4 10188 B11R1.212 CN1CCC(C1=O)NCCO 34a_100016990907_100000755940 [0,1,0,1,0,0|2,0,0]=4 10189 B11R1.212 CN1CCC(C1=O)OCCBr 34a_100000211926_100000755940 [0,1,0,1,0,0|2,0,0]=4 10190 B11R1.212 CN1CCC(C1=O)OCCN 34a_100000210304_100000755940 [0,1,0,1,0,0|2,0,0]=4 10191 B11R1.212 CN1CCC(C1=O)SCCF 62a_100000755940_100011217306 [0,1,0,1,0,0|2,0,0]=4 10192 B11R1.212 CN1CCC(C1=O)SCCF 62a_100011217306_100000755940 [0,1,0,1,0,0|2,0,0]=4 10193 B11R1.212 CN1CCC(C1=O)SCCO 62a_100000211926_100000755940 [0,1,0,1,0,0|2,0,0]=4 10194 B11R1.212 CN1CCC(C1=O)SCCO 62a_100000755940_100000211926 [0,1,0,1,0,0|2,0,0]=4 10195 B11R1.212 COCSC1CCN(C1=O)C 62a_100000755940_100000766300 [0,1,0,1,0,0|2,0,0]=4 10196 B11R1.212 COCSC1CCN(C1=O)C 62a_100000766300_100000755940 [0,1,0,1,0,0|2,0,0]=4 10197 B11R1.212 CSCSC1CCN(C1=O)C 62a_100000755940_100011218213 [0,1,0,1,0,0|2,0,0]=4 10198 B11R1.212 CSCSC1CCN(C1=O)C 62a_100011218213_100000755940 [0,1,0,1,0,0|2,0,0]=4 10199 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,1,0,1,0,0|1,0,1]=4 10200 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,1,0,1,0,0|0,0,1]=3 10201 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,1,0,1,0,0|0,0,1]=3 10202 B11R1.222 CCN(C)C1CCCCC1=O 269982a_100000225621_100000204591 [0,1,0,1,0,0|2,0,0]=4 10203 B11R1.222 CCN(C)C1CCCNC1=O 2230a_100000225621_100000687798 [0,1,0,1,0,0|1,0,0]=3 10204 B11R1.222 CCN(C)C1CCCNC1=O 269982a_100000225621_100000687798 [0,1,0,1,0,0|1,0,0]=3 10205 B11R1.222 CNC(=O)C1CCCNC1=O 11a_106832991635_100000087122 [0,1,0,1,0,0|1,0,1]=4 10206 B11R1.222 CNC(=O)C1CCCNC1=O 240690a_100102657272_100000087122 [0,1,0,1,0,0|1,0,1]=4 10207 B11R1.222 CNC(=O)C1CCCNC1=O 527a_100102657272_100000087122 [0,1,0,1,0,0|1,0,1]=4 10208 B11R1.222 O=C(CF)C1CCCNC1=O 1458a_100000087122_100015361967 [0,1,0,1,0,0|1,0,1]=4 10209 B11R1.222 O=C(CO)C1CCCNC1=O 1458a_100000210174_100000687798 [0,1,0,1,0,0|1,0,1]=4 10210 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,1,0,1,0,0|1,0,1]=4 10211 B11R1.223 CCC(C)CSC1CCC1=O 62a_100000748023_100009892977 [0,1,0,1,0,0|2,0,0]=4 10212 B11R1.223 CCC(C)CSC1CCC1=O 62a_100009892977_100000748023 [0,1,0,1,0,0|2,0,0]=4 10213 B11R1.223 CCC(O)CSC1CCC1=O 62a_100009892977_100011218378 [0,1,0,1,0,0|2,0,0]=4 10214 B11R1.223 CCC(O)CSC1CCC1=O 62a_100011218378_100009892977 [0,1,0,1,0,0|2,0,0]=4 10215 B11R1.223 CCN(C)CCC1CCC1=O 2230a_100000225621_200016118888 [0,1,0,1,0,0|2,0,0]=4 10216 B11R1.223 CCN(C)CCC1CCC1=O 269982a_100000225621_200016118888 [0,1,0,1,0,0|2,0,0]=4 10217 B11R1.223 CC[C@H](C)COC1CCC1=O 7a_100009816381_100009892977 [0,1,0,1,0,0|2,0,0]=4 10218 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009816398_100009892977 [0,1,0,1,0,0|2,0,0]=4 10219 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009892977_100009816398 [0,1,0,1,0,0|2,0,0]=4 10220 B11R1.228 CC(CO)NC1CCNC1=O 2230a_100016995588_100012180447 [0,1,0,1,0,0|2,0,0]=4 10221 B11R1.228 CC(CO)NC1CCNC1=O 34a_100016995588_100012180447 [0,1,0,1,0,0|2,0,0]=4 10222 B11R1.228 CC(CO)O[C@H]1CCNC1=O 34a_100000688343_100012180447 [0,1,0,1,0,0|2,0,0]=4 10223 B11R1.228 CCC(=O)NC1CCNC1=O 11a_100016995588_100000210414 [0,1,0,1,0,0|1,0,1]=4 10224 B11R1.228 CCC(=O)NC1CCNC1=O 1626a_100016995588_100000210414 [0,1,0,1,0,0|1,0,1]=4 10225 B11R1.228 CCC(=O)NC1CCNC1=O 240690a_100016995588_100000210414 [0,1,0,1,0,0|1,0,1]=4 10226 B11R1.228 CCC(=O)NC1CCNC1=O 527a_100016995588_100000210414 [0,1,0,1,0,0|1,0,1]=4 10227 B11R1.228 CCC(C)NC1CCCC1=O 2230a_100000209981_100000211823 [0,1,0,1,0,0|2,0,0]=4 10228 B11R1.228 CCC(C)NC1CCNC1=O 2230a_100016995588_100000758301 [0,1,0,1,0,0|1,0,0]=3 10229 B11R1.228 CCC(C)NC1CCNC1=O 34a_100016995588_100011215416 [0,1,0,1,0,0|1,0,0]=3 10230 B11R1.228 CCC(C)NC1CCOC1=O 2230a_100000209981_100000211211 [0,1,0,1,0,0|2,0,0]=4 10231 B11R1.228 CCC(C)N[C@@H]1CONC1=O 2230a_100000765999_100000758301 [0,1,0,1,0,0|2,0,0]=4 10232 B11R1.228 CCC(C)N[C@@H]1CONC1=O 34a_100000765999_100011215416 [0,1,0,1,0,0|2,0,0]=4 10233 B11R1.228 CCC(C)OC1CCCC1=O 34a_200000719330_100011215416 [0,1,0,1,0,0|2,0,0]=4 10234 B11R1.228 CCC(C)OC1CCCC1=O 7a_100000210228_100000211823 [0,1,0,1,0,0|2,0,0]=4 10235 B11R1.228 CCC(C)OC1CCOC1=O 7a_100000210228_100000211211 [0,1,0,1,0,0|2,0,0]=4 10236 B11R1.228 CCC(C)O[C@H]1CCNC1=O 34a_100000688343_100011215416 [0,1,0,1,0,0|1,0,0]=3 10237 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000211823_100000758301 [0,1,0,1,0,0|2,0,0]=4 10238 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000758301_100000211823 [0,1,0,1,0,0|2,0,0]=4 10239 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000211211_100000758301 [0,1,0,1,0,0|2,0,0]=4 10240 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000758301_100000211211 [0,1,0,1,0,0|2,0,0]=4 10241 B11R1.320 CC1(CC1)CNCCCC=O 2230a_100000766693_200011292268 [0,1,0,1,0,0|2,0,0]=4 10242 B11R1.320 CC1(CC1)COCCCC=O 7a_100000698024_200011292268 [0,1,0,1,0,0|2,0,0]=4 10243 B11R1.320 CC1(CC1)NCCCCC=O 2230a_100000757604_100000139335 [0,1,0,1,0,0|2,0,0]=4 10244 B11R1.320 CC1(CC1)OCCCCC=O 7a_100011725673_100000139335 [0,1,0,1,0,0|2,0,0]=4 10245 B11R1.320 O=CCCCNCC1(CC1)O 2230a_100011936951_200011292268 [0,1,0,1,0,0|2,0,0]=4 10246 B11R1.320 O=CCCCOCC1(CC1)F 7a_200000703853_200011292268 [0,1,0,1,0,0|2,0,0]=4 10247 B11R1.381 CN1CCCCC(C1=O)N[13CH3] 2230a_100159325733_200025704644 [0,1,0,1,0,0|1,0,0]=3 10248 B11R1.381 CN1CCCCC(C1=O)N[13CH3] 34a_100159325733_200025704644 [0,1,0,1,0,0|1,0,0]=3 10249 B11R1.381 CNC1CCCCN(C1=O)C 2230a_100159325733_200000210301 [0,1,0,1,0,0|1,0,0]=3 10250 B11R1.381 CNC1CCCCN(C1=O)C 34a_100159325733_200000210301 [0,1,0,1,0,0|1,0,0]=3 10251 B11R1.757 C[C@H]1[C@H](CN1CCCC=O)O 2230a_206633788156_200011292268 [0,1,0,1,0,0|2,0,0]=4 10252 B11R1.757 C[C@H]1[C@H](CN1CCCC=O)O 269982a_206633788156_200011292268 [0,1,0,1,0,0|2,0,0]=4 10253 B11R1.759 CCC1CN(C1)CCCC=O 2230a_100015205115_200011292268 [0,1,0,1,0,0|2,0,0]=4 10254 B11R1.759 CCC1CN(C1)CCCC=O 269982a_100015205115_200011292268 [0,1,0,1,0,0|2,0,0]=4 10255 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,1,0,0|2,0,0]=4 10256 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [0,1,0,1,0,0|1,0,1]=4 10257 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [0,1,0,1,0,0|1,0,1]=4 10258 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [0,1,0,1,0,0|1,0,1]=4 10259 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [0,1,0,1,0,0|1,0,1]=4 10260 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [0,1,0,1,0,0|1,0,1]=4 10261 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [0,1,0,1,0,0|1,0,1]=4 10262 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [0,1,0,1,0,0|1,0,1]=4 10263 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [0,1,0,1,0,0|1,0,1]=4 10264 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [0,1,0,1,0,0|1,0,1]=4 10265 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [0,1,0,1,0,0|1,0,1]=4 10266 B11R1.852 CN(CF)C1CCCCCC1 269982a_100015185097_100015361967 [0,1,0,1,0,0|1,0,1]=4 10267 B11R1.852 CN(CF)C1CCCCCC1 34a_100015185097_100015361967 [0,1,0,1,0,0|1,0,1]=4 10268 B11R1.29 CC(NCC=O)C1CCCC1 2230a_100015185923_200015260668 [0,1,0,1,0,0|2,0,0]=4 10269 B11R1.29 CC(NCC=O)C1CCCC1 34a_100015185923_200009817547 [0,1,0,1,0,0|2,0,0]=4 10270 B11R1.29 CC(OCC=O)C1CCCC1 34a_100011216366_200009817547 [0,1,0,1,0,0|2,0,0]=4 10271 B11R1.29 CC(OCC=O)C1CCCC1 7a_100011216366_200015260668 [0,1,0,1,0,0|2,0,0]=4 10272 B11R1.182 CCNC1CC(CCC1C)C 269862a_100015525214_100000034887 [0,1,0,1,0,0|1,0,1]=4 10273 B11R1.182 CCNC1CC(CCC1C)C 270004a_100015525214_100000034887 [0,1,0,1,0,0|1,0,1]=4 10274 B11R1.286 CCCCC(=O)C1CCC1=O 1458a_100000210183_100009892977 [0,1,0,1,0,0|1,0,1]=4 10275 B11R1.286 CCCCN(C)C1CCC1=O 269982a_100000207549_100009892977 [0,1,0,1,0,0|2,0,0]=4 10276 B11R1.299 CN(CCCC=O)C1CCC1 2230a_100000758072_200011292268 [0,1,0,1,0,0|2,0,0]=4 10277 B11R1.299 CN(CCCC=O)C1CCC1 269982a_100000758072_200011292268 [0,1,0,1,0,0|2,0,0]=4 10278 B11R1.301 CN(CCCC=O)CC1CC1 2230a_100000741881_200011292268 [0,1,0,1,0,0|2,0,0]=4 10279 B11R1.301 CN(CCCC=O)CC1CC1 269982a_100000741881_200011292268 [0,1,0,1,0,0|2,0,0]=4 10280 B11R1.605 CC1CCCC(N1CC=O)C 2230a_100000210447_200015260668 [0,1,0,1,0,0|2,0,0]=4 10281 B11R1.605 CC1CCCC(N1CC=O)C 269982a_100000210447_200015260668 [0,1,0,1,0,0|2,0,0]=4 10282 B11R1.605 CC1CCCC(N1CC=O)C 34a_100000210447_200009817547 [0,1,0,1,0,0|2,0,0]=4 10283 B11R1.605 CCCC1C(=O)NCCN1C 2230a_200000695202_200000210301 [0,1,0,1,0,0|1,0,0]=3 10284 B11R1.605 CCCC1C(=O)NCCN1C 269982a_200000695202_200000210301 [0,1,0,1,0,0|1,0,0]=3 10285 B11R1.605 CCCC1C(=O)NCCN1C 34a_200000695202_200000210301 [0,1,0,1,0,0|1,0,0]=3 10286 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 2230a_200000695202_200025704644 [0,1,0,1,0,0|1,0,0]=3 10287 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 269982a_200000695202_200025704644 [0,1,0,1,0,0|1,0,0]=3 10288 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 34a_200000695202_200025704644 [0,1,0,1,0,0|1,0,0]=3 10289 B11R1.605 CCNC1C(CCCC1C)C 269862a_100015525214_100000211995 [0,1,0,1,0,0|1,0,1]=4 10290 B11R1.605 CN1CCNC(=O)C1CCO 2230a_100000044719_200000210301 [0,1,0,1,0,0|2,0,0]=4 10291 B11R1.605 CN1CCNC(=O)C1CCO 34a_100000044719_200000210301 [0,1,0,1,0,0|2,0,0]=4 10292 B11R1.605 [13CH3]N1CCNC(=O)C1CCO 2230a_100000044719_200025704644 [0,1,0,1,0,0|2,0,0]=4 10293 B11R1.605 [13CH3]N1CCNC(=O)C1CCO 34a_100000044719_200025704644 [0,1,0,1,0,0|2,0,0]=4 10294 B11R1.756 CCNCCC1(CCCC1)O 34a_100000719956_100000210202 [0,1,0,1,0,0|1,0,1]=4 10295 B11R1.756 NC1(CCCC1)COCC=O 34a_100000749328_200009817547 [0,1,0,1,0,0|2,0,0]=4 10296 B11R1.756 O=CCNCC1(CCCC1)O 2230a_100000737848_200015260668 [0,1,0,1,0,0|2,0,0]=4 10297 B11R1.756 OC1(CCCC1)CCNCF 34a_100000719956_100015361967 [0,1,0,1,0,0|1,0,1]=4 10298 B11R1.900 CC1(CCCCC1)CNCF 34a_100000706052_100015361967 [0,1,0,1,0,0|1,0,1]=4 10299 B11R1.900 CC1(CCCCC1)NCC=O 2230a_100000741114_200015260668 [0,1,0,1,0,0|2,0,0]=4 10300 B11R1.900 CC1(CCCCC1)NCC=O 34a_100000741114_200009817547 [0,1,0,1,0,0|2,0,0]=4 10301 B11R1.900 CC1(CCCCC1)OCC=O 34a_100011215885_200009817547 [0,1,0,1,0,0|2,0,0]=4 10302 B11R1.900 CC1(CCCCC1)OCC=O 7a_100011215885_200015260668 [0,1,0,1,0,0|2,0,0]=4 10303 B11R1.900 CCNCC1(CCCCC1)C 2230a_100000706052_100000210202 [0,1,0,1,0,0|1,0,1]=4 10304 B11R1.900 CCNCC1(CCCCC1)C 269862a_100015525214_100011935227 [0,1,0,1,0,0|1,0,1]=4 10305 B11R1.900 CCNCC1(CCCCC1)C 34a_100000706052_100000210202 [0,1,0,1,0,0|1,0,1]=4 10306 B11R1.900 CCNCC1(CCCCC1)O 2230a_100000748649_100000210202 [0,1,0,1,0,0|1,0,1]=4 10307 B11R1.900 CCNCC1(CCCCC1)O 34a_100000748649_100000210202 [0,1,0,1,0,0|1,0,1]=4 10308 B11R1.900 OC1(CCCCC1)CNCF 34a_100000748649_100015361967 [0,1,0,1,0,0|1,0,1]=4 10309 B11R2.248 CCNC1CC2CCC1C2 2230a_100000758229_100000210202 [0,0,0,2,0,0|1,0,1]=4 10310 B11R2.248 CCNC1CC2CCC1C2 269862a_100015525214_100000223372 [0,0,0,2,0,0|1,0,1]=4 10311 B11R2.248 CCNC1CC2CCC1C2 270004a_100015525214_100000223372 [0,0,0,2,0,0|1,0,1]=4 10312 B11R2.248 CCNC1CC2CCC1C2 34a_100000758229_100000210202 [0,0,0,2,0,0|1,0,1]=4 10313 B11R2.248 FCNC1CC2CCC1C2 34a_100000758229_100015361967 [0,0,0,2,0,0|1,0,1]=4 10314 B11R2.248 O=CCN1CC2CCC1C2 2230a_100000743476_200015260668 [0,0,0,2,0,0|2,0,0]=4 10315 B11R2.248 O=CCN1CC2CCC1C2 269982a_100000743476_200015260668 [0,0,0,2,0,0|2,0,0]=4 10316 B11R2.248 O=CCN1CC2CCC1C2 34a_100000743476_200009817547 [0,0,0,2,0,0|2,0,0]=4 10317 B11R2.641 CCNC1CCCC2C1C2 269862a_100015525214_100000697651 [0,0,0,2,0,0|1,0,1]=4 10318 B11R2.76 O=CCN1C2CCC1CC2 2230a_100000735658_200015260668 [0,0,0,2,0,0|2,0,0]=4 10319 B11R2.76 O=CCN1C2CCC1CC2 269982a_100000735658_200015260668 [0,0,0,2,0,0|2,0,0]=4 10320 B11R2.76 O=CCN1C2CCC1CC2 34a_100000735658_200009817547 [0,0,0,2,0,0|2,0,0]=4 10321 B11R2.143 CCNC1CCCC12CC2 269862a_100015525214_100009881796 [0,0,0,2,0,0|1,0,1]=4 10322 B11R2.143 O=CCN1CCCC12CC2 2230a_100020620911_200015260668 [0,0,0,2,0,0|2,0,0]=4 10323 B11R2.143 O=CCN1CCCC12CC2 269982a_100020620911_200015260668 [0,0,0,2,0,0|2,0,0]=4 10324 B11R2.143 O=CCN1CCCC12CC2 34a_100020620911_200009817547 [0,0,0,2,0,0|2,0,0]=4 10325 B11R2.216 CCN1CCCC1C2CC2 2230a_200000757794_100000210202 [0,0,0,2,0,0|1,0,1]=4 10326 B11R2.216 CCN1CCCC1C2CC2 269982a_200000757794_100000204670 [0,0,0,2,0,0|1,0,1]=4 10327 B11R2.216 CCN1CCCC1C2CC2 34a_200000757794_100000210202 [0,0,0,2,0,0|1,0,1]=4 10328 B11R2.216 FCN1CCCC1C2CC2 269982a_200000757794_100015361967 [0,0,0,2,0,0|1,0,1]=4 10329 B11R2.216 FCN1CCCC1C2CC2 34a_200000757794_100015361967 [0,0,0,2,0,0|1,0,1]=4 10330 B11R2.164 CCN1CC2CCC1CC2 2230a_100000750499_100000210202 [0,0,0,2,0,0|1,0,1]=4 10331 B11R2.164 CCN1CC2CCC1CC2 269982a_100000750499_100000204670 [0,0,0,2,0,0|1,0,1]=4 10332 B11R2.164 CCN1CC2CCC1CC2 34a_100000750499_100000210202 [0,0,0,2,0,0|1,0,1]=4 10333 B11R2.164 FCN1CC2CCC1CC2 269982a_100000750499_100015361967 [0,0,0,2,0,0|1,0,1]=4 10334 B11R2.164 FCN1CC2CCC1CC2 34a_100000750499_100015361967 [0,0,0,2,0,0|1,0,1]=4 10335 B11R2.927 O=CCOC1CCC2C1C2 34a_200012295571_200009817547 [0,0,0,2,0,0|2,0,0]=4 10336 B11R2.7 O=C1CCC1N2CCCC2 269982a_100000188435_100009892977 [0,0,0,2,0,0|2,0,0]=4 10337 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000210202 [0,0,0,2,0,0|1,0,1]=4 10338 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000204670 [0,0,0,2,0,0|1,0,1]=4 10339 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000210202 [0,0,0,2,0,0|1,0,1]=4 10340 B11R2.15 FCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100015361967 [0,0,0,2,0,0|1,0,1]=4 10341 B11R2.15 FCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100015361967 [0,0,0,2,0,0|1,0,1]=4 10342 B11R2.115 O=C1CCCC1NC2CC2 34a_100000212008_100000709159 [0,0,0,2,0,0|2,0,0]=4 10343 B11R2.115 O=C1CCCC1OC2CC2 34a_200000719330_100000211595 [0,0,0,2,0,0|2,0,0]=4 10344 B11R2.115 O=C1CCCC1SC2CC2 62a_100000211823_100000211595 [0,0,0,2,0,0|2,0,0]=4 10345 B11R2.115 O=C1NCCC1NC2CC2 34a_100016995588_100000211595 [0,0,0,2,0,0|1,0,0]=3 10346 B11R2.115 O=C1NCC[C@@H]1OC2CC2 34a_100000688343_100000211595 [0,0,0,2,0,0|1,0,0]=3 10347 B11R2.115 O=C1NOC[C@H]1NC2CC2 34a_100000765999_100000211595 [0,0,0,2,0,0|2,0,0]=4 10348 B11R2.115 O=C1OCCC1NC2CC2 34a_100000212008_100000211211 [0,0,0,2,0,0|2,0,0]=4 10349 B11R2.115 O=C1OCCC1SC2CC2 62a_100000211211_100000211595 [0,0,0,2,0,0|2,0,0]=4 10350 B11R2.459 O=C1CCCC1N2CCC2 269982a_100000754969_100000211823 [0,0,0,2,0,0|2,0,0]=4 10351 B11R2.459 O=C1OCCC1N2CCC2 269982a_100000754969_100000211211 [0,0,0,2,0,0|2,0,0]=4 10352 B11R2.112 CC1CCN1C2CCC2=O 269982a_100000755817_100009892977 [0,0,0,2,0,0|2,0,0]=4 10353 B11R2.112 CC1CCN1C2CCC2=O 34a_100000755817_100009892977 [0,0,0,2,0,0|2,0,0]=4 10354 B11R2.362 O=C1CCC1NCC2CC2 34a_100000735609_100009892977 [0,0,0,2,0,0|2,0,0]=4 10355 B11R2.362 O=C1CCC1OCC2CC2 34a_100000211283_100009892977 [0,0,0,2,0,0|2,0,0]=4 10356 B11R2.362 O=C1CCC1SCC2CC2 62a_100000756562_100009892977 [0,0,0,2,0,0|2,0,0]=4 10357 B11R2.362 O=C1CCC1SCC2CC2 62a_100009892977_100000742324 [0,0,0,2,0,0|2,0,0]=4 10358 B11R2.512 O=C1CCC1NC2CCC2 34a_100000749019_100009892977 [0,0,0,2,0,0|2,0,0]=4 10359 B11R2.512 O=C1CCC1OC2CCC2 34a_100000748187_100009892977 [0,0,0,2,0,0|2,0,0]=4 10360 B11R2.512 O=C1CCC1SC2CCC2 62a_100009892977_100000749161 [0,0,0,2,0,0|2,0,0]=4