0 B11R0.140 CCCCCC(=O)CCCCC Amb6608883 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.140 CCCCCC(N)CCCCC Amb9620841 [0,0,0,0,0,0|2,0,1]=3 2 B11R0.140 CCCCCC(S)CCCCC Amb32788302 [0,0,0,0,0,0|1,1,1]=3 3 B11R0.140 CCCCNC(=O)CSCCO Amb6760948 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.140 CCCCNC(=O)NCCCC Amb2720908 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.140 CCCCNC(=O)OC#CCI Amb22167263 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.140 CCCCNC(=O)OCC#CI Amb8383541 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.140 CCCCNC(=S)NCCCC Amb2764130 [0,0,0,0,0,0|2,1,0]=3 8 B11R0.140 CCCCOC(=O)OCCCC Amb22732182 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.140 CCCCO[PH](=O)OCCCC Amb8513503 [0,0,0,0,0,0|2,0,0]=2 10 B11R0.140 COCCNC(=O)CSCCN Amb8876552 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.140 C\C=C\C=C\C(=O)OCCCC Amb33513065 [0,0,0,0,0,0|0,0,4]=4 12 B11R0.140 O=C(NCCCO)NCCCO Amb28963333 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.71 CCCCCCCCCCBr Amb2721517 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.71 CCCCCCCCCCCl Amb8513081 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.71 CCCCCCCCCCF Amb2688085 [1,0,0,0,0,0|2,0,1]=4 16 B10R0.71 CCCCCCCCCCI Amb3940280 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.71 CCCCCCCCCCN Amb3940460 [1,0,0,0,0,0|2,0,1]=4 18 B10R0.71 CCCCCCCCCCO Amb3940390 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.71 CCCCCCCCCCS Amb9787174 [1,0,0,0,0,0|2,0,1]=4 20 B10R0.71 CCCCCCCCCNC Amb10609826 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.71 CCCCCCCCCNC Amb7761761 [1,0,0,0,0,0|2,0,1]=4 22 B10R0.71 CCCCCCCCOCC Amb9787535 [1,0,0,0,0,0|2,0,1]=4 23 B10R0.71 CCCCCCCCSCC Amb17672979 [1,0,0,0,0,0|2,0,1]=4 24 B10R0.71 CCCCCCCNCCC Amb4313521 [1,0,0,0,0,0|2,0,1]=4 25 B10R0.71 CCCCCCNCCCC Amb6730566 [1,0,0,0,0,0|1,0,1]=3 26 B10R0.71 CCCCCCNCCCN Amb17315272 [1,0,0,0,0,0|2,0,1]=4 27 B10R0.71 CCCCCCNCCCO Amb7758124 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.71 CCCCCCNCCOC Amb7760715 [1,0,0,0,0,0|2,0,1]=4 29 B10R0.71 CCCCCCOCCC#N Amb7792025 [1,0,0,0,0,0|1,0,2]=4 30 B10R0.71 CCCCCCOCCCN Amb7764734 [1,0,0,0,0,0|1,0,1]=3 31 B10R0.71 CCCCCNCCCCC Amb3941371 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.71 CCCCCNCCCOC Amb6730381 [1,0,0,0,0,0|3,0,0]=4 33 B10R0.71 CCCCCSCCCCC Amb4020127 [1,0,0,0,0,0|2,0,0]=3 34 B10R0.71 CCCCCSCCCCN Amb17500943 [1,0,0,0,0,0|3,0,0]=4 35 B10R0.71 CCCCC\C=C\CCC=O Amb33512982 [1,0,0,0,0,0|2,0,1]=4 36 B10R0.71 CCCCOCCOCCCl Amb8828497 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.71 CCCCOCCOCCN Amb7790849 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.71 CCCCOCCOCCO Amb8513428 [1,0,0,0,0,0|2,0,1]=4 39 B10R0.71 CCCCOCCSCCO Amb9787502 [1,0,0,0,0,0|2,0,1]=4 40 B10R0.71 COCCOCCCCCBr Amb32688356 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.71 COCCOCCCCCCl Amb9001656 [1,0,0,0,0,0|2,0,1]=4 42 B10R0.71 C\C=C/C\C=C/CCCCC Amb22546768 [1,0,0,0,0,0|1,0,2]=4 43 B10R0.91 C#CCCNC(=O)CCCC Amb21942374 [1,0,0,0,0,0|1,0,2]=4 44 B10R0.91 C#CCNC(=O)CCCCC Amb18182853 [1,0,0,0,0,0|1,0,2]=4 45 B10R0.91 C#CCOC(=O)NCCCC Amb22002306 [1,0,0,0,0,0|1,0,2]=4 46 B10R0.91 C=CCOC(=O)CCCCC Amb8384545 [1,0,0,0,0,0|0,0,2]=3 47 B10R0.91 CCCC#CC(=O)CCCC Amb28080249 [1,0,0,0,0,0|0,0,2]=3 48 B10R0.91 CCCC#CC(=O)CCCO Amb28080132 [1,0,0,0,0,0|1,0,2]=4 49 B10R0.91 CCCCC(=O)C#COCC Amb27672379 [1,0,0,0,0,0|1,0,2]=4 50 B10R0.91 CCCCCC(=O)OCCBr Amb33276536 [1,0,0,0,0,0|1,0,0]=2 51 B10R0.91 CCCCCC(=O)OCCC Amb9242901 [1,0,0,0,0,0|0,0,0]=1 52 B10R0.91 CCCCN(C)CCCCN Amb5357861 [1,0,0,0,0,0|3,0,0]=4 53 B10R0.91 CCCCNC(=O)CCCCl Amb6250139 [1,0,0,0,0,0|2,0,0]=3 54 B10R0.91 CCCCNC(=O)CNCC Amb18799969 [1,0,0,0,0,0|2,0,0]=3 55 B10R0.91 CCCCNC(C)CCCC Amb33534585 [1,0,0,0,0,0|2,0,1]=4 56 B10R0.91 CCCCOC(=O)CCCBr Amb22739641 [1,0,0,0,0,0|1,0,0]=2 57 B10R0.91 CCCCOC(=O)CCCC Amb22002434 [1,0,0,0,0,0|0,0,0]=1 58 B10R0.91 CCCCOC(=O)CCCCl Amb2778421 [1,0,0,0,0,0|1,0,0]=2 59 B10R0.91 CCCCOC(=O)CN=C=O Amb3939289 [1,0,0,0,0,0|2,0,1]=4 60 B10R0.91 CCCCOC(=O)NCCCl Amb24103359 [1,0,0,0,0,0|2,0,0]=3 61 B10R0.91 CCCCOC(=O)NCCS Amb33804067 [1,0,0,0,0,0|2,0,0]=3 62 B10R0.91 CCCC\C=C(\Br)CCCC Amb22641678 [1,0,0,0,0,0|1,0,1]=3 63 B10R0.91 CCCNC(=O)CSCCO Amb6760946 [1,0,0,0,0,0|3,0,0]=4 64 B10R0.91 CCCNCC(=O)NCCC Amb6714453 [1,0,0,0,0,0|2,0,0]=3 65 B10R0.91 CCCOCC(=O)OCCBr Amb33048394 [1,0,0,0,0,0|2,0,0]=3 66 B10R0.91 CCNCC(=O)NCCOC Amb18800365 [1,0,0,0,0,0|3,0,0]=4 67 B10R0.91 CCOCCC(=O)OCCBr Amb33050474 [1,0,0,0,0,0|2,0,0]=3 68 B10R0.91 CCSCCC(=O)NCCN Amb17503827 [1,0,0,0,0,0|3,0,0]=4 69 B10R0.91 COCCCC(=O)OCCBr Amb33051838 [1,0,0,0,0,0|2,0,0]=3 70 B10R0.91 COCCNC(=O)CCCCl Amb1126292 [1,0,0,0,0,0|3,0,0]=4 71 B10R0.91 COCCNC(=O)CCCN Amb5785132 [1,0,0,0,0,0|3,0,0]=4 72 B12R0.47 CCCCCCC(O)CCCCC Amb9787109 [0,1,0,0,0,0|1,0,2]=4 73 B12R0.47 CCCCCOC(=O)CCCCC Amb4017930 [0,1,0,0,0,0|0,0,0]=1 74 B12R0.47 CCCCC\C=C(\I)CCCCC Amb22546769 [0,1,0,0,0,0|2,0,0]=3 75 B12R0.47 COCCNC(=O)CCCCCN Amb6274536 [0,1,0,0,0,0|2,0,0]=3 76 B12R0.117 C=CB(OCCCC)OCCCC Amb22169660 [0,1,0,0,0,0|3,0,0]=4 77 B12R0.117 CCCCCN(C#N)CCCCC Amb22261612 [0,1,0,0,0,0|3,0,0]=4 78 B12R0.117 CCCCCN(C=O)CCCCC Amb30666647 [0,1,0,0,0,0|2,0,0]=3 79 B12R0.142 CCC(Br)COC(=O)CCCOC Amb33051834 [0,1,0,0,0,0|1,0,0]=2 80 B12R0.142 CCC(Br)COC(=O)CSCC#N Amb33050483 [0,1,0,0,0,0|2,0,1]=4 81 B12R0.142 CCCCCC(=O)OCC(Br)CC Amb33276532 [0,1,0,0,0,0|0,0,0]=1 82 B12R0.142 CCCCCC(=O)OCC(C)CC Amb24061295 [0,1,0,0,0,0|0,0,0]=1 83 B12R0.142 CCCOCC(=O)OCC(Br)CC Amb33048195 [0,1,0,0,0,0|1,0,0]=2 84 B12R0.142 CCOCCC(=O)OCC(Br)CC Amb33050471 [0,1,0,0,0,0|1,0,0]=2 85 B12R0.233 CCCCCC(=O)CCCC(=O)O Amb6305235 [0,1,0,0,0,0|2,0,1]=4 86 B12R0.233 CCCCCC(C)NCCC(C)O Amb33455994 [0,1,0,0,0,0|2,0,1]=4 87 B12R0.239 CCCCCC(=O)CC(=O)OCC Amb10572783 [0,1,0,0,0,0|2,0,1]=4 88 B12R0.634 CCCCCS(=O)(=O)CCCCC Amb4010793 [0,1,0,0,0,0|2,0,0]=3 89 B12R0.634 CCCCCS(=O)(=O)CCCCN Amb17501045 [0,1,0,0,0,0|3,0,0]=4 90 B12R0.634 CCCCNS(=O)(=O)NCCCC Amb22436266 [0,1,0,0,0,0|3,0,0]=4 91 B12R0.634 CCCCOP(=O)(Cl)OCCCC Amb10559410 [0,1,0,0,0,0|2,0,0]=3 92 B12R0.634 CCCCOP(=O)(O)OCCCC Amb8386437 [0,1,0,0,0,0|2,0,0]=3 93 B12R0.634 CCCCOP(C)(=O)OCCCC Amb17845319 [0,1,0,0,0,0|2,0,0]=3 94 B12R0.634 CCCCOS(=O)(=O)OCCCC Amb15693432 [0,1,0,0,0,0|2,0,0]=3 95 B12R0.648 CCCCC(N)C(=O)NCCOC Amb19059892 [0,1,0,0,0,0|2,0,0]=3 96 B12R0.648 COCCNC(=O)C(N)CCSC Amb23555044 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.18 C#CCCC1CCCCCC1=O Amb27814092 [0,0,0,1,0,0|1,0,2]=4 98 B12R1.18 C#CCCC1CCCCNC1=O Amb27952658 [0,0,0,1,0,0|1,0,2]=4 99 B12R1.18 C#CCCN1CCCCCC1=O Amb27455906 [0,0,0,1,0,0|1,0,2]=4 100 B12R1.18 C=C1CCCCCC1CCCO Amb27457881 [0,0,0,1,0,0|3,0,0]=4 101 B12R1.18 CCCCC1CCCC=CC1=O Amb28199947 [0,0,0,1,0,0|1,0,1]=3 102 B12R1.18 CCCCC1CCCCCC1=O Amb18799266 [0,0,0,1,0,0|1,0,0]=2 103 B12R1.18 CCCCC1CCCCCC1Br Amb28365719 [0,0,0,1,0,0|2,0,1]=4 104 B12R1.18 CCCCC1CCCCCC1Cl Amb28187102 [0,0,0,1,0,0|2,0,1]=4 105 B12R1.18 CCCCC1CCCCCC1O Amb18806714 [0,0,0,1,0,0|1,0,2]=4 106 B12R1.18 CCCCC1CCCCNC1=O Amb27770065 [0,0,0,1,0,0|1,0,0]=2 107 B12R1.18 CCCCC1NCCCNC1=O Amb32719900 [0,0,0,1,0,0|2,0,0]=3 108 B12R1.18 CCCCN1CCCNCC1=O Amb26644654 [0,0,0,1,0,0|2,0,0]=3 109 B12R1.18 CCCCN1CCNCCC1=O Amb21959310 [0,0,0,1,0,0|2,0,0]=3 110 B12R1.18 CCCC[C@@H]1CCCCC[C@H]1O Amb26435137 [0,0,0,1,0,0|1,0,2]=4 111 B12R1.18 CCCSC1CCCCNC1=O Amb27203415 [0,0,0,1,0,0|2,0,0]=3 112 B12R1.18 CCOCC1CCCCCC1=O Amb27465325 [0,0,0,1,0,0|2,0,0]=3 113 B12R1.18 CCOC[C@@H]1NCCCNC1=O Amb32719941 [0,0,0,1,0,0|3,0,0]=4 114 B12R1.18 CCO\C=C1/CCCCCC1=O Amb33291539 [0,0,0,1,0,0|2,0,1]=4 115 B12R1.18 CCO\C=C1\CCCCCC1=O Amb27402811 [0,0,0,1,0,0|2,0,1]=4 116 B12R1.18 CNCCN1CCCCCC1=O Amb18977654 [0,0,0,1,0,0|2,0,0]=3 117 B12R1.18 COCCC1NCCCNC1=O Amb32719932 [0,0,0,1,0,0|3,0,0]=4 118 B12R1.18 COCCN1CCCNCC1=O Amb33547963 [0,0,0,1,0,0|3,0,0]=4 119 B12R1.18 COCCN1CCNCCC1=O Amb21959308 [0,0,0,1,0,0|3,0,0]=4 120 B12R1.18 COCCN1CCNCCC1=O Amb28988472 [0,0,0,1,0,0|3,0,0]=4 121 B12R1.18 CSCCC1NCCCNC1=O Amb32719907 [0,0,0,1,0,0|3,0,0]=4 122 B12R1.18 CSCCN1CCNCCC1=O Amb35641615 [0,0,0,1,0,0|3,0,0]=4 123 B12R1.18 CSCC[C@@H]1NCCCNC1=O Amb32719926 [0,0,0,1,0,0|3,0,0]=4 124 B12R1.18 C\C=C\CC1CCCCNC1=O Amb27615324 [0,0,0,1,0,0|1,0,2]=4 125 B12R1.18 N#CCCN1CCCCCC1=O Amb5720330 [0,0,0,1,0,0|2,0,1]=4 126 B12R1.18 NCCCN1CCCCCC1=O Amb1153735 [0,0,0,1,0,0|2,0,0]=3 127 B12R1.18 NCCCN1CCCCCC1=O Amb28991407 [0,0,0,1,0,0|2,0,0]=3 128 B12R1.18 O=C1CCCCCC1CCCO Amb27614789 [0,0,0,1,0,0|2,0,0]=3 129 B12R1.18 O=C1NCCCCC1CCCO Amb27157529 [0,0,0,1,0,0|2,0,0]=3 130 B12R1.18 O=C1NCCCCC1NCCF Amb27860047 [0,0,0,1,0,0|3,0,0]=4 131 B12R1.18 O=CCCC1CCCCCC1=O Amb28123079 [0,0,0,1,0,0|2,0,1]=4 132 B12R1.18 OCCCN1CCCCCC1=S Amb27853954 [0,0,0,1,0,0|2,1,0]=4 133 B12R1.28 CCCCNC1CCCC(C)C1 Amb33527406 [0,0,0,1,0,0|2,0,1]=4 134 B12R1.28 CCCC\C=C1\CCNC(C)C1 Amb35734523 [0,0,0,1,0,0|3,0,0]=4 135 B12R1.28 CCCC\C=C1\CNCC(C)C1 Amb35709859 [0,0,0,1,0,0|3,0,0]=4 136 B12R1.35 CC#CCCC(=O)C1CCCC1 Amb27770837 [0,0,0,1,0,0|1,0,2]=4 137 B12R1.35 CC#CCOC(=O)C1CCCS1 Amb27835677 [0,0,0,1,0,0|1,0,2]=4 138 B12R1.35 CC#CCOC(=O)[C@@H]1CCCO1 Amb27662034 [0,0,0,1,0,0|1,0,2]=4 139 B12R1.35 CCCCNC(=O)C1CSCN1 Amb13952015 [0,0,0,1,0,0|3,0,0]=4 140 B12R1.35 CCCCNC(=O)C1CSCN1 Amb6268105 [0,0,0,1,0,0|3,0,0]=4 141 B12R1.35 CCCCNC(=O)[C@@H]1CCCN1 Amb5784220 [0,0,0,1,0,0|2,0,0]=3 142 B12R1.35 CCCCOC(=O)C1CCCC1 Amb31217536 [0,0,0,1,0,0|0,0,0]=1 143 B12R1.35 CCO\C=C\C(=O)C1CCCC1 Amb33291538 [0,0,0,1,0,0|2,0,1]=4 144 B12R1.35 COCCNC(=O)C1CCCN1 Amb6253304 [0,0,0,1,0,0|3,0,0]=4 145 B12R1.35 COCCNC(=O)[C@@H]1CCCN1 Amb5784227 [0,0,0,1,0,0|3,0,0]=4 146 B12R1.35 NCCCNC(=O)C1CCCO1 Amb6281747 [0,0,0,1,0,0|3,0,0]=4 147 B12R1.35 NCCSCC(=O)N1CCCC1 Amb6260308 [0,0,0,1,0,0|3,0,0]=4 148 B12R1.35 O=C(CCCCBr)N1CCCC1 Amb17251283 [0,0,0,1,0,0|2,0,0]=3 149 B12R1.35 O=C(CCCCO)N1CCCC1 Amb17232811 [0,0,0,1,0,0|2,0,0]=3 150 B12R1.35 O=C(NCCCCl)C1CCCC1 Amb2125722 [0,0,0,1,0,0|2,0,0]=3 151 B12R1.35 O=C(NCCCO)C1CCCN1 Amb21958823 [0,0,0,1,0,0|3,0,0]=4 152 B12R1.35 O=C(NCCCO)C1CCCO1 Amb9246516 [0,0,0,1,0,0|3,0,0]=4 153 B12R1.35 O=C(NCCCO)N1CCCC1 Amb35789219 [0,0,0,1,0,0|3,0,0]=4 154 B12R1.154 CC1CCNCCC(=O)NCC1 Amb32674208 [0,0,0,1,0,0|2,0,0]=3 155 B12R1.154 O=C1CCCC(O)CCCCO1 Amb27853898 [0,0,0,1,0,0|1,0,0]=2 156 B12R1.154 O=C1CCOC(=O)CCCCN1 Amb28186602 [0,0,0,1,0,0|2,0,1]=4 157 B12R1.170 C=CCC1CCCCCC(=O)C1 Amb28253648 [0,0,0,1,0,0|1,0,2]=4 158 B12R1.170 CCOC1CCCCCC(=O)C1 Amb27177931 [0,0,0,1,0,0|2,0,0]=3 159 B12R1.170 O=C1CN(CCO)CCCCN1 Amb27982969 [0,0,0,1,0,0|3,0,0]=4 160 B12R1.215 O=C1CCC#CCCCCCC1 Amb27869824 [0,0,0,1,0,0|1,0,2]=4 161 B12R1.215 O=C1CCCC#CCCCCC1 Amb27234351 [0,0,0,1,0,0|1,0,2]=4 162 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [0,0,0,1,0,0|1,0,0]=2 163 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [0,0,0,1,0,0|1,0,0]=2 164 B12R1.215 O=C1CCCCCOCCCC1 Amb27177976 [0,0,0,1,0,0|2,0,0]=3 165 B12R1.215 O=C1CCNCCCCCCN1 Amb25704380 [0,0,0,1,0,0|2,0,0]=3 166 B12R1.268 C#CCC1CC(=O)CCC1CC Amb32865492 [0,0,0,1,0,0|1,0,2]=4 167 B12R1.268 C=CC1COC(=O)CC1CCO Amb28127790 [0,0,0,1,0,0|1,0,2]=4 168 B12R1.268 C=CCC1CC(=O)CCC1CC Amb32865454 [0,0,0,1,0,0|1,0,2]=4 169 B12R1.268 CCC1CCC(=O)CC1CC#N Amb32865503 [0,0,0,1,0,0|2,0,1]=4 170 B12R1.268 CCC1CCC(=O)CC1CNC Amb32865506 [0,0,0,1,0,0|2,0,0]=3 171 B12R1.268 CCC1CCC(=O)CC1COC Amb32865459 [0,0,0,1,0,0|2,0,0]=3 172 B12R1.268 CCCC1CC(=O)CCC1CC Amb32865456 [0,0,0,1,0,0|1,0,0]=2 173 B12R1.268 CCCC1CC(=O)CCN1CC Amb25334933 [0,0,0,1,0,0|2,0,0]=3 174 B12R1.268 CCCC1CC(N)CCC1CC Amb32866380 [0,0,0,1,0,0|2,0,1]=4 175 B12R1.268 CCNC1CC(=O)CCC1CC Amb32867092 [0,0,0,1,0,0|2,0,0]=3 176 B12R1.268 CCOC1CC(=O)CCC1CC Amb32867617 [0,0,0,1,0,0|2,0,0]=3 177 B12R1.268 CCSC1CC(=O)CCC1CC Amb32867605 [0,0,0,1,0,0|2,0,0]=3 178 B12R1.268 CC[C@H]1C=CC(=O)O[C@H]1CCO Amb27219035 [0,0,0,1,0,0|1,0,2]=4 179 B12R1.483 CC#CCNC(=O)CC1CCC1 Amb27254741 [0,0,0,1,0,0|1,0,2]=4 180 B12R1.484 CCCCNC(=O)CNC1CC1 Amb18806567 [0,0,0,1,0,0|2,0,0]=3 181 B12R1.484 COCCNC(=O)CNC1CC1 Amb18807352 [0,0,0,1,0,0|3,0,0]=4 182 B12R1.1098 C=CC[C@@H]1CC(=O)CCC[C@H]1C Amb28198595 [0,0,0,1,0,0|1,0,2]=4 183 B12R1.1211 CC1=C(C)CCCC(=O)CCC1 Amb27164714 [0,0,0,1,0,0|1,0,2]=4 184 B12R1.1414 CCCCNC1=NCCCCC1 Amb27660010 [0,0,0,1,0,0|2,0,0]=3 185 B12R1.1414 CCCCNC1=NCCCCN1 Amb35646592 [0,0,0,1,0,0|3,0,0]=4 186 B12R1.1414 CCCCNC1CCCCCC1 Amb22587068 [0,0,0,1,0,0|2,0,1]=4 187 B12R1.1414 CCCCNC1CCCCCC1 Amb6690970 [0,0,0,1,0,0|2,0,1]=4 188 B12R1.1414 CSCCNC1=NCCCCC1 Amb27235572 [0,0,0,1,0,0|3,0,0]=4 189 B12R1.1414 NCCCOC1CCCCCC1 Amb19025686 [0,0,0,1,0,0|2,0,1]=4 190 B12R1.1631 C=CCC[C@H]1C(=O)CCC[C@H]1C Amb28052478 [0,0,0,1,0,0|1,0,2]=4 191 B12R1.1631 CCCCC1C(=O)C=CCC1C Amb27177503 [0,0,0,1,0,0|1,0,1]=3 192 B12R1.1631 CCCCC1C(=O)C=CC[C@@H]1C Amb28322033 [0,0,0,1,0,0|1,0,1]=3 193 B12R1.1631 CCCCC1C(=O)C=CC[C@H]1C Amb27175976 [0,0,0,1,0,0|1,0,1]=3 194 B12R1.1631 CCCCC1C(=O)CCCC1=O Amb26413895 [0,0,0,1,0,0|2,0,1]=4 195 B12R1.1631 CCCCC1C(=O)CCC[C@@H]1C Amb27616853 [0,0,0,1,0,0|1,0,0]=2 196 B12R1.1631 CCCCN1C(=O)CCCC1=O Amb27178390 [0,0,0,1,0,0|2,0,1]=4 197 B12R1.1631 CCCCN1C(=O)CCCC1O Amb27588897 [0,0,0,1,0,0|2,0,0]=3 198 B12R1.1631 CCCCN1C(=O)CNCC1C Amb25064610 [0,0,0,1,0,0|2,0,0]=3 199 B12R1.1631 CCCCN1[C@H](C)CCC[C@H]1C Amb27198826 [0,0,0,1,0,0|2,0,1]=4 200 B12R1.1631 CCCC[C@@H]1C(=O)CCC[C@@H]1C Amb27844215 [0,0,0,1,0,0|1,0,0]=2 201 B12R1.1631 COCCN1C(=O)CNCC1C Amb27852753 [0,0,0,1,0,0|3,0,0]=4 202 B12R1.1997 CC1(OCCCN)CCCCC1 Amb33319288 [0,0,0,1,0,0|2,0,1]=4 203 B12R1.1997 CCCCCC1(C)CNCCO1 Amb32430493 [0,0,0,1,0,0|2,0,1]=4 204 B12R1.1997 CCCCOC1(C)CCNCC1 Amb33360076 [0,0,0,1,0,0|2,0,1]=4 205 B9R0.45 CCCC#CCCCCC Amb2721550 [2,0,0,0,0,0|0,0,2]=4 206 B9R0.45 CCCCC#CCCCC Amb2721554 [2,0,0,0,0,0|0,0,2]=4 207 B9R0.45 CCCCCCCCCBr Amb3940224 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.45 CCCCCCCCCC Amb7757835 [2,0,0,0,0,0|0,0,1]=3 209 B9R0.45 CCCCCCCCCCl Amb6652537 [2,0,0,0,0,0|1,0,1]=4 210 B9R0.45 CCCCCCCCCF Amb8515361 [2,0,0,0,0,0|1,0,1]=4 211 B9R0.45 CCCCCCCCCI Amb3940284 [2,0,0,0,0,0|1,0,1]=4 212 B9R0.45 CCCCCCCCCN Amb3987584 [2,0,0,0,0,0|1,0,1]=4 213 B9R0.45 CCCCCCCCCO Amb3940342 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.45 CCCCCCCCC[Mg+] Amb22351330 [2,0,0,0,0,0|1,0,1]=4 215 B9R0.45 CCCCCCCCNC Amb7757640 [2,0,0,0,0,0|1,0,1]=4 216 B9R0.45 CCCCCCCCSC Amb10553780 [2,0,0,0,0,0|1,0,1]=4 217 B9R0.45 CCCCCCCOCC Amb26332517 [2,0,0,0,0,0|1,0,1]=4 218 B9R0.45 CCCCCCNCCC Amb6730565 [2,0,0,0,0,0|1,0,1]=4 219 B9R0.45 CCCCCCOCCC Amb27838831 [2,0,0,0,0,0|0,0,1]=3 220 B9R0.45 CCCCCCOCCCl Amb8828502 [2,0,0,0,0,0|1,0,1]=4 221 B9R0.45 CCCCCCOCCO Amb9787183 [2,0,0,0,0,0|1,0,1]=4 222 B9R0.45 CCCCCNCCCBr Amb27171159 [2,0,0,0,0,0|2,0,0]=4 223 B9R0.45 CCCCCNCCCC Amb6688183 [2,0,0,0,0,0|1,0,0]=3 224 B9R0.45 CCCCCNCCCF Amb27757655 [2,0,0,0,0,0|2,0,0]=4 225 B9R0.45 CCCCCNCCCN Amb17315271 [2,0,0,0,0,0|2,0,0]=4 226 B9R0.45 CCCCCNCCCO Amb6733807 [2,0,0,0,0,0|2,0,0]=4 227 B9R0.45 CCCCCNCCNC Amb2691992 [2,0,0,0,0,0|2,0,0]=4 228 B9R0.45 CCCCCNCCOC Amb6708081 [2,0,0,0,0,0|2,0,0]=4 229 B9R0.45 CCCCCOCCC=O Amb27628424 [2,0,0,0,0,0|1,0,1]=4 230 B9R0.45 CCCCCSCCCF Amb28204722 [2,0,0,0,0,0|1,1,0]=4 231 B9R0.45 CCCCCSCCCN Amb17500694 [2,0,0,0,0,0|1,1,0]=4 232 B9R0.45 CCCCCSCCCO Amb17502837 [2,0,0,0,0,0|1,1,0]=4 233 B9R0.45 CCCCCSCCSC Amb28282346 [2,0,0,0,0,0|1,1,0]=4 234 B9R0.45 CCCCC\C=C/CCBr Amb27781314 [2,0,0,0,0,0|1,0,1]=4 235 B9R0.45 CCCCC\C=C/CCO Amb9825885 [2,0,0,0,0,0|1,0,1]=4 236 B9R0.45 CCCCC\C=C\CCBr Amb27864879 [2,0,0,0,0,0|1,0,1]=4 237 B9R0.45 CCCCC\C=C\CCN Amb25123460 [2,0,0,0,0,0|1,0,1]=4 238 B9R0.45 CCCCC\C=C\CCO Amb27953070 [2,0,0,0,0,0|1,0,1]=4 239 B9R0.45 CCCCC\C=C\OCC Amb27590195 [2,0,0,0,0,0|1,0,1]=4 240 B9R0.45 CCCCNCCCCBr Amb27403712 [2,0,0,0,0,0|2,0,0]=4 241 B9R0.45 CCCCNCCCNC Amb24502382 [2,0,0,0,0,0|2,0,0]=4 242 B9R0.45 CCCCNCCCOC Amb6730310 [2,0,0,0,0,0|2,0,0]=4 243 B9R0.45 CCCCNCCOCC Amb9241010 [2,0,0,0,0,0|2,0,0]=4 244 B9R0.45 CCCCOCCCC#N Amb8895274 [2,0,0,0,0,0|1,0,1]=4 245 B9R0.45 CCCCOCCCCBr Amb8895240 [2,0,0,0,0,0|1,0,0]=3 246 B9R0.45 CCCCOCCCCCl Amb18798377 [2,0,0,0,0,0|1,0,0]=3 247 B9R0.45 CCCCOCCCCO Amb19375051 [2,0,0,0,0,0|1,0,0]=3 248 B9R0.45 CCCCOCCCON Amb27212384 [2,0,0,0,0,0|2,0,0]=4 249 B9R0.45 CCCCOCCOCC Amb25248413 [2,0,0,0,0,0|1,0,0]=3 250 B9R0.45 CCCCOCCOCCl Amb28399346 [2,0,0,0,0,0|2,0,0]=4 251 B9R0.45 CCCCSCCCCN Amb9480126 [2,0,0,0,0,0|1,1,0]=4 252 B9R0.45 CCCCSCCCCS Amb28206440 [2,0,0,0,0,0|1,1,0]=4 253 B9R0.45 CCCCSCCCOC Amb27651352 [2,0,0,0,0,0|1,1,0]=4 254 B9R0.45 CCCCSCCOCC Amb10669603 [2,0,0,0,0,0|1,1,0]=4 255 B9R0.45 CCCCSSCCCC Amb8513071 [2,0,0,0,0,0|1,1,0]=4 256 B9R0.45 CCCC[Te][Te]CCCC Amb8515301 [2,0,0,0,0,0|1,1,0]=4 257 B9R0.45 CCCC\C=C/CCCC Amb27196227 [2,0,0,0,0,0|0,0,1]=3 258 B9R0.45 CCCC\C=C\CCCC Amb2721542 [2,0,0,0,0,0|0,0,1]=3 259 B9R0.45 CCCOCCCCCBr Amb27494337 [2,0,0,0,0,0|1,0,1]=4 260 B9R0.45 CCCOCCCCCN Amb27869443 [2,0,0,0,0,0|1,0,1]=4 261 B9R0.45 CCCOCCOCCC Amb27441214 [2,0,0,0,0,0|1,0,1]=4 262 B9R0.45 CCC\C=C\CCCCC Amb22231673 [2,0,0,0,0,0|0,0,1]=3 263 B9R0.45 CCC\C=C\CCCCN Amb33373745 [2,0,0,0,0,0|1,0,1]=4 264 B9R0.45 CCNCCOCCOC Amb24672932 [2,0,0,0,0,0|2,0,0]=4 265 B9R0.45 CCOCCOCCCBr Amb8828207 [2,0,0,0,0,0|2,0,0]=4 266 B9R0.45 CCOCCOCCCN Amb6246853 [2,0,0,0,0,0|2,0,0]=4 267 B9R0.45 CCOCCOCCNC Amb28049307 [2,0,0,0,0,0|2,0,0]=4 268 B9R0.45 CCOCCOCCOC Amb8394637 [2,0,0,0,0,0|2,0,0]=4 269 B9R0.45 CCOCOCCCCBr Amb28388750 [2,0,0,0,0,0|2,0,0]=4 270 B9R0.45 CCSCCOCCCS Amb27971481 [2,0,0,0,0,0|2,0,0]=4 271 B9R0.45 CC\C=C\COCCCC Amb25912010 [2,0,0,0,0,0|0,0,2]=4 272 B9R0.45 CNCCCOCCOC Amb27768848 [2,0,0,0,0,0|2,0,0]=4 273 B9R0.45 CNCCOCCCOC Amb21954035 [2,0,0,0,0,0|2,0,0]=4 274 B9R0.45 CNCCOCCCSC Amb27650781 [2,0,0,0,0,0|2,0,0]=4 275 B9R0.45 COCCCOCCCN Amb28196278 [2,0,0,0,0,0|2,0,0]=4 276 B9R0.45 COCCCOCCCO Amb20242414 [2,0,0,0,0,0|2,0,0]=4 277 B9R0.45 COCCOCCCCBr Amb8855450 [2,0,0,0,0,0|2,0,0]=4 278 B9R0.45 COCCOCCCCCl Amb18798737 [2,0,0,0,0,0|2,0,0]=4 279 B9R0.45 COCCOCCCCN Amb6250163 [2,0,0,0,0,0|2,0,0]=4 280 B9R0.45 CSCCOCCCCCl Amb28041418 [2,0,0,0,0,0|2,0,0]=4 281 B9R0.45 CSCCOCCCCS Amb27834483 [2,0,0,0,0,0|2,0,0]=4 282 B9R0.45 NCCCOCCCCO Amb28454517 [2,0,0,0,0,0|2,0,0]=4 283 B9R0.45 OCCCCOCCCO Amb27218138 [2,0,0,0,0,0|2,0,0]=4 284 B9R0.45 [C-]#[N+]CCCOCCCC Amb3973111 [2,0,0,0,0,0|1,0,1]=4 285 B9R0.5 C#CCCCC(=O)OCC Amb18115788 [2,0,0,0,0,0|0,0,2]=4 286 B9R0.5 C#CCCOC(=O)CCC Amb28349346 [2,0,0,0,0,0|0,0,2]=4 287 B9R0.5 C=C(CCC)CCCCCl Amb27835284 [2,0,0,0,0,0|2,0,0]=4 288 B9R0.5 C=CCC(=O)OCCCC Amb28049467 [2,0,0,0,0,0|0,0,2]=4 289 B9R0.5 CC#CCCC(=O)CCC Amb28186245 [2,0,0,0,0,0|0,0,2]=4 290 B9R0.5 CC#CCOC(=O)CCC Amb27205951 [2,0,0,0,0,0|0,0,2]=4 291 B9R0.5 CCCC#CC(=O)OCC Amb2721493 [2,0,0,0,0,0|0,0,2]=4 292 B9R0.5 CCCC(=O)CCCCN Amb28058184 [2,0,0,0,0,0|1,0,0]=3 293 B9R0.5 CCCC(=O)CCCSC Amb27758287 [2,0,0,0,0,0|1,0,0]=3 294 B9R0.5 CCCC(=O)COCCCl Amb27244905 [2,0,0,0,0,0|2,0,0]=4 295 B9R0.5 CCCC(=O)COCCN Amb27413187 [2,0,0,0,0,0|2,0,0]=4 296 B9R0.5 CCCC(=O)CSCCO Amb18800667 [2,0,0,0,0,0|2,0,0]=4 297 B9R0.5 CCCC(=O)NCCSC Amb8504701 [2,0,0,0,0,0|2,0,0]=4 298 B9R0.5 CCCC(=O)OCCC#N Amb18643713 [2,0,0,0,0,0|1,0,1]=4 299 B9R0.5 CCCC(=O)OCCC=O Amb28049893 [2,0,0,0,0,0|1,0,1]=4 300 B9R0.5 CCCC(=O)OCCCN Amb27272615 [2,0,0,0,0,0|1,0,0]=3 301 B9R0.5 CCCC(=O)OCCCO Amb28292589 [2,0,0,0,0,0|1,0,0]=3 302 B9R0.5 CCCCCC(=O)CCC Amb2720457 [2,0,0,0,0,0|0,0,0]=2 303 B9R0.5 CCCCCC(=O)CCO Amb27627789 [2,0,0,0,0,0|1,0,0]=3 304 B9R0.5 CCCCCC(=O)COC Amb27171123 [2,0,0,0,0,0|1,0,0]=3 305 B9R0.5 CCCCCC(=O)NCC Amb3373540 [2,0,0,0,0,0|1,0,0]=3 306 B9R0.5 CCCCCC(Br)CCC Amb28318288 [2,0,0,0,0,0|1,0,1]=4 307 B9R0.5 CCCCCC(C)CCC Amb4035718 [2,0,0,0,0,0|1,0,1]=4 308 B9R0.5 CCCCCC(N)CCC Amb8869705 [2,0,0,0,0,0|1,0,1]=4 309 B9R0.5 CCCCCS(=O)CCN Amb27954729 [2,0,0,0,0,0|2,0,0]=4 310 B9R0.5 CCCCC[C@H](O)CCC Amb27652271 [2,0,0,0,0,0|0,0,2]=4 311 B9R0.5 CCCCNC(=O)CCBr Amb17330970 [2,0,0,0,0,0|2,0,0]=4 312 B9R0.5 CCCCNC(=O)CCC Amb5797594 [2,0,0,0,0,0|1,0,0]=3 313 B9R0.5 CCCCNC(=O)CCCl Amb6248093 [2,0,0,0,0,0|2,0,0]=4 314 B9R0.5 CCCCNC(=O)CCN Amb5784977 [2,0,0,0,0,0|2,0,0]=4 315 B9R0.5 CCCCNC(=O)CNC Amb6280977 [2,0,0,0,0,0|2,0,0]=4 316 B9R0.5 CCCCNC(=O)CSC Amb27877947 [2,0,0,0,0,0|2,0,0]=4 317 B9R0.5 CCCCNC(=O)NCC Amb4018863 [2,0,0,0,0,0|2,0,0]=4 318 B9R0.5 CCCCNC(=O)OCC Amb10552892 [2,0,0,0,0,0|1,0,0]=3 319 B9R0.5 CCCCNC(=S)OCC Amb27235690 [2,0,0,0,0,0|1,1,0]=4 320 B9R0.5 CCCCOC(=O)CC#N Amb8383765 [2,0,0,0,0,0|1,0,1]=4 321 B9R0.5 CCCCOC(=O)CCCl Amb2722788 [2,0,0,0,0,0|1,0,0]=3 322 B9R0.5 CCCCOC(=O)CCO Amb27211287 [2,0,0,0,0,0|1,0,0]=3 323 B9R0.5 CCCCOC(=O)CCS Amb8516995 [2,0,0,0,0,0|1,0,0]=3 324 B9R0.5 CCCCOC(=O)CNN Amb27768106 [2,0,0,0,0,0|2,0,0]=4 325 B9R0.5 CCCCOC(=O)COC Amb20620642 [2,0,0,0,0,0|1,0,0]=3 326 B9R0.5 CCCCOC(=O)CON Amb25691107 [2,0,0,0,0,0|2,0,0]=4 327 B9R0.5 CCCCOC(=O)NCC Amb27412996 [2,0,0,0,0,0|1,0,0]=3 328 B9R0.5 CCCCOC(=O)OCCl Amb26509700 [2,0,0,0,0,0|2,0,0]=4 329 B9R0.5 CCCCOC(=S)NCC Amb27393051 [2,0,0,0,0,0|1,1,0]=4 330 B9R0.5 CCCCOC(O)CCC Amb27839284 [2,0,0,0,0,0|0,0,2]=4 331 B9R0.5 CCCCSC(=O)NCC Amb27462695 [2,0,0,0,0,0|1,1,0]=4 332 B9R0.5 CCCNCC(=O)OCC Amb6714488 [2,0,0,0,0,0|1,0,0]=3 333 B9R0.5 CCCOCC(=N)OCC Amb27399250 [2,0,0,0,0,0|2,0,0]=4 334 B9R0.5 CCCSCC(=O)CCC Amb18800477 [2,0,0,0,0,0|1,0,0]=3 335 B9R0.5 CCC\C=C\C(=O)CCC Amb17593554 [2,0,0,0,0,0|0,0,2]=4 336 B9R0.5 CCNC(=O)CCCCBr Amb17239684 [2,0,0,0,0,0|2,0,0]=4 337 B9R0.5 CCNC(=O)CCCNC Amb28126927 [2,0,0,0,0,0|2,0,0]=4 338 B9R0.5 CCNC(=O)CCCOC Amb27179856 [2,0,0,0,0,0|2,0,0]=4 339 B9R0.5 CCNC(=O)OCCCCl Amb27805521 [2,0,0,0,0,0|2,0,0]=4 340 B9R0.5 CCNC(=O)OCCNC Amb27777734 [2,0,0,0,0,0|2,0,0]=4 341 B9R0.5 CCNC(=O)OCCOC Amb26558291 [2,0,0,0,0,0|2,0,0]=4 342 B9R0.5 CCNCCC(=O)OCC Amb9026175 [2,0,0,0,0,0|1,0,0]=3 343 B9R0.5 CCOC(=N)CCCCBr Amb25890174 [2,0,0,0,0,0|2,0,0]=4 344 B9R0.5 CCOC(=N)CCCCCl Amb26392208 [2,0,0,0,0,0|2,0,0]=4 345 B9R0.5 CCOC(=N)CCCOC Amb28141924 [2,0,0,0,0,0|2,0,0]=4 346 B9R0.5 CCOC(=O)CCCC#N Amb16233123 [2,0,0,0,0,0|1,0,1]=4 347 B9R0.5 CCOC(=O)CCCC=O Amb22230665 [2,0,0,0,0,0|1,0,1]=4 348 B9R0.5 CCOC(=O)CCCCBr Amb3940221 [2,0,0,0,0,0|1,0,0]=3 349 B9R0.5 CCOC(=O)CCCCI Amb4006406 [2,0,0,0,0,0|1,0,0]=3 350 B9R0.5 CCOC(=O)CCCCN Amb10807401 [2,0,0,0,0,0|1,0,0]=3 351 B9R0.5 CCOC(=O)CCCCN Amb33527726 [2,0,0,0,0,0|1,0,0]=3 352 B9R0.5 CCOC(=O)CCCNC Amb9204023 [2,0,0,0,0,0|1,0,0]=3 353 B9R0.5 CCOC(=O)CCCOC Amb27837737 [2,0,0,0,0,0|1,0,0]=3 354 B9R0.5 CCOC(=O)CCCSC Amb25058939 [2,0,0,0,0,0|1,0,0]=3 355 B9R0.5 CCOC(=O)CCNOC Amb27838886 [2,0,0,0,0,0|2,0,0]=4 356 B9R0.5 CCOC(=O)CCSCC Amb9026307 [2,0,0,0,0,0|1,0,0]=3 357 B9R0.5 CCOC(=O)CNCCF Amb27754664 [2,0,0,0,0,0|2,0,0]=4 358 B9R0.5 CCOC(=O)CNCCN Amb30868135 [2,0,0,0,0,0|2,0,0]=4 359 B9R0.5 CCOC(=O)COCCBr Amb8394720 [2,0,0,0,0,0|2,0,0]=4 360 B9R0.5 CCOC(=O)COCCCl Amb19958740 [2,0,0,0,0,0|2,0,0]=4 361 B9R0.5 CCOC(=O)COCCN Amb25850783 [2,0,0,0,0,0|2,0,0]=4 362 B9R0.5 CCOC(=O)COCCN Amb28555601 [2,0,0,0,0,0|2,0,0]=4 363 B9R0.5 CCOC(=O)COCCO Amb24113532 [2,0,0,0,0,0|2,0,0]=4 364 B9R0.5 CCOC(=O)COCOC Amb27624738 [2,0,0,0,0,0|2,0,0]=4 365 B9R0.5 CCOC(=O)CSCSC Amb28144787 [2,0,0,0,0,0|2,0,0]=4 366 B9R0.5 CCOC(=O)NCCCF Amb27770329 [2,0,0,0,0,0|2,0,0]=4 367 B9R0.5 CCOC(=O)NCCNC Amb28126929 [2,0,0,0,0,0|2,0,0]=4 368 B9R0.5 CCOC(=O)OCCCBr Amb27231554 [2,0,0,0,0,0|2,0,0]=4 369 B9R0.5 CCOC(=O)OCCCCl Amb27594095 [2,0,0,0,0,0|2,0,0]=4 370 B9R0.5 CCOC(=O)OCCCF Amb24088656 [2,0,0,0,0,0|2,0,0]=4 371 B9R0.5 CCOC(=O)OCCCO Amb28050600 [2,0,0,0,0,0|2,0,0]=4 372 B9R0.5 CCOCCC(=O)CCCl Amb27214166 [2,0,0,0,0,0|2,0,0]=4 373 B9R0.5 CCOCCC(=O)COC Amb27246058 [2,0,0,0,0,0|2,0,0]=4 374 B9R0.5 CCOCCC(=O)OCC Amb6608774 [2,0,0,0,0,0|1,0,0]=3 375 B9R0.5 CC\C=C(/C)CCCCC Amb27666327 [2,0,0,0,0,0|1,0,1]=4 376 B9R0.5 CNCC(=O)OCCOC Amb27770571 [2,0,0,0,0,0|2,0,0]=4 377 B9R0.5 CNCCOC(=O)COC Amb27214682 [2,0,0,0,0,0|2,0,0]=4 378 B9R0.5 COCC(=O)CCCCN Amb28050471 [2,0,0,0,0,0|2,0,0]=4 379 B9R0.5 COCC(=O)OCCCO Amb26408081 [2,0,0,0,0,0|2,0,0]=4 380 B9R0.5 COCCOC(=O)CCS Amb27272878 [2,0,0,0,0,0|2,0,0]=4 381 B9R0.5 CSCCOC(=O)CSC Amb28049701 [2,0,0,0,0,0|2,0,0]=4 382 B9R0.5 C\C=C\C(=O)CCCCC Amb25146367 [2,0,0,0,0,0|0,0,2]=4 383 B9R0.5 C\C=C\C(=O)OCCCC Amb17940289 [2,0,0,0,0,0|0,0,2]=4 384 B9R0.5 C\C=C\COC(=O)CCC Amb28349676 [2,0,0,0,0,0|0,0,2]=4 385 B9R0.5 NCCC(=O)OCCCO Amb27482412 [2,0,0,0,0,0|2,0,0]=4 386 B9R0.5 O=C(CCCl)OCCCCl Amb27477838 [2,0,0,0,0,0|2,0,0]=4 387 B9R0.5 O=C(CCO)OCCCO Amb27652860 [2,0,0,0,0,0|2,0,0]=4 388 B9R0.5 [C-]#[N+]CCCC(=O)OCC Amb2235706 [2,0,0,0,0,0|1,0,1]=4 389 B9R0.18 C#CCCC(=O)OCCC Amb18633914 [2,0,0,0,0,0|0,0,2]=4 390 B9R0.18 C=C(CCCC)CCCC Amb22641581 [2,0,0,0,0,0|1,0,0]=3 391 B9R0.18 C=C(CCCC)CCCN Amb27168161 [2,0,0,0,0,0|2,0,0]=4 392 B9R0.18 C=C(CCCC)CCCO Amb28318705 [2,0,0,0,0,0|2,0,0]=4 393 B9R0.18 CCCCB(O)CCCC Amb25797237 [2,0,0,0,0,0|1,0,1]=4 394 B9R0.18 CCCCC(=O)CCCC Amb534166 [2,0,0,0,0,0|0,0,0]=2 395 B9R0.18 CCCCC(=O)CCCCl Amb26353274 [2,0,0,0,0,0|1,0,0]=3 396 B9R0.18 CCCCC(=O)CCCN Amb28050428 [2,0,0,0,0,0|1,0,0]=3 397 B9R0.18 CCCCC(=O)CCCO Amb25146585 [2,0,0,0,0,0|1,0,0]=3 398 B9R0.18 CCCCC(=O)CCNC Amb27771104 [2,0,0,0,0,0|1,0,0]=3 399 B9R0.18 CCCCC(=O)COCC Amb26504310 [2,0,0,0,0,0|1,0,0]=3 400 B9R0.18 CCCCC(=O)NOCC Amb10572674 [2,0,0,0,0,0|2,0,0]=4 401 B9R0.18 CCCCC(=O)OCCBr Amb24709719 [2,0,0,0,0,0|1,0,0]=3 402 B9R0.18 CCCCC(=O)OCCO Amb27218716 [2,0,0,0,0,0|1,0,0]=3 403 B9R0.18 CCCCC(Cl)CCCC Amb26844527 [2,0,0,0,0,0|1,0,1]=4 404 B9R0.18 CCCCC(N)CCCC Amb22229936 [2,0,0,0,0,0|1,0,1]=4 405 B9R0.18 CCCCN(C)CCCC Amb8515459 [2,0,0,0,0,0|2,0,0]=4 406 B9R0.18 CCCCN(N)CCCC Amb836806 [2,0,0,0,0,0|2,0,0]=4 407 B9R0.18 CCCCN(O)CCCC Amb28062392 [2,0,0,0,0,0|1,0,1]=4 408 B9R0.18 CCCCP(Cl)CCCC Amb22353630 [2,0,0,0,0,0|2,0,0]=4 409 B9R0.18 CCCC[NH+](C)CCCC Amb33512914 [2,0,0,0,0,0|2,0,0]=4 410 B9R0.18 CCCC[PH-](=O)CCCC Amb27230858 [2,0,0,0,0,0|1,0,0]=3 411 B9R0.18 CCCC[PH](=O)CCCC Amb4297292 [2,0,0,0,0,0|1,0,0]=3 412 B9R0.18 CCCC[Sn](=O)CCCC Amb8513797 [2,0,0,0,0,0|1,0,0]=3 413 B9R0.18 CCCNC(=O)CCCCl Amb1135964 [2,0,0,0,0,0|2,0,0]=4 414 B9R0.18 CCCNC(=O)CCCS Amb27802904 [2,0,0,0,0,0|2,0,0]=4 415 B9R0.18 CCCNC(=O)CCOC Amb24480776 [2,0,0,0,0,0|2,0,0]=4 416 B9R0.18 CCCNC(=O)CCSC Amb27630777 [2,0,0,0,0,0|2,0,0]=4 417 B9R0.18 CCCNC(=O)NCCC Amb9825634 [2,0,0,0,0,0|2,0,0]=4 418 B9R0.18 CCCNC(=O)OCCC Amb24460257 [2,0,0,0,0,0|1,0,0]=3 419 B9R0.18 CCCNC(=O)OCCO Amb27593341 [2,0,0,0,0,0|2,0,0]=4 420 B9R0.18 CCCNC(=O)SCCC Amb27442946 [2,0,0,0,0,0|1,1,0]=4 421 B9R0.18 CCCNC(=S)OCCC Amb28068732 [2,0,0,0,0,0|1,1,0]=4 422 B9R0.18 CCCOC(=N)OCCC Amb24698422 [2,0,0,0,0,0|2,0,0]=4 423 B9R0.18 CCCOC(=O)CCC=O Amb28049916 [2,0,0,0,0,0|1,0,1]=4 424 B9R0.18 CCCOC(=O)CCCBr Amb28287770 [2,0,0,0,0,0|1,0,0]=3 425 B9R0.18 CCCOC(=O)CCCS Amb27466699 [2,0,0,0,0,0|1,0,0]=3 426 B9R0.18 CCCOC(=O)CCNC Amb28074901 [2,0,0,0,0,0|1,0,0]=3 427 B9R0.18 CCCOC(=O)COCC Amb9243004 [2,0,0,0,0,0|1,0,0]=3 428 B9R0.18 CCCOC(=O)NCCCl Amb28364283 [2,0,0,0,0,0|2,0,0]=4 429 B9R0.18 CCCOC(=O)NCCO Amb28043117 [2,0,0,0,0,0|2,0,0]=4 430 B9R0.18 CCCOC(=O)OCCC Amb22336422 [2,0,0,0,0,0|1,0,0]=3 431 B9R0.18 CCCOS(=O)OCCC Amb10807470 [2,0,0,0,0,0|2,0,0]=4 432 B9R0.18 CCNCC(=O)COCC Amb28047119 [2,0,0,0,0,0|2,0,0]=4 433 B9R0.18 CCOCC(=O)CCCCl Amb28323349 [2,0,0,0,0,0|2,0,0]=4 434 B9R0.18 CCOCC(=O)OCCBr Amb33050548 [2,0,0,0,0,0|2,0,0]=4 435 B9R0.18 CCOCC(=O)OCCO Amb27839369 [2,0,0,0,0,0|2,0,0]=4 436 B9R0.18 CC\C=C\C(=O)CCCC Amb25219828 [2,0,0,0,0,0|0,0,2]=4 437 B9R0.18 COCCC(=O)CCOC Amb32662019 [2,0,0,0,0,0|2,0,0]=4 438 B9R0.18 COCCC(=O)OCCBr Amb33050387 [2,0,0,0,0,0|2,0,0]=4 439 B9R0.18 COCCC(=O)OCCO Amb25845430 [2,0,0,0,0,0|2,0,0]=4 440 B9R0.18 NCCOC(=O)CCCO Amb27811652 [2,0,0,0,0,0|2,0,0]=4 441 B9R0.18 O=C(CCCBr)CCCBr Amb8394101 [2,0,0,0,0,0|2,0,0]=4 442 B9R0.18 O=C(CCCCl)CCCCl Amb4020427 [2,0,0,0,0,0|2,0,0]=4 443 B11R0.3 CCCCCCCCCCCBr Amb8514664 [1,1,0,0,0,0|1,0,1]=4 444 B11R0.3 CCCCCCCCCCCC Amb8513157 [1,1,0,0,0,0|1,0,1]=4 445 B11R0.3 CCCCCCCCCCCCl Amb9787117 [1,1,0,0,0,0|1,0,1]=4 446 B11R0.3 CCCCCCCCCCCN Amb3941511 [1,1,0,0,0,0|1,0,1]=4 447 B11R0.3 CCCCCCCCCCCO Amb6646062 [1,1,0,0,0,0|1,0,1]=4 448 B11R0.3 CCCCCCCCCCNC Amb33934687 [1,1,0,0,0,0|1,0,1]=4 449 B11R0.3 CCCCCCCCCCNC Amb9787067 [1,1,0,0,0,0|1,0,1]=4 450 B11R0.3 CCCCCCCCCNCC Amb7761767 [1,1,0,0,0,0|1,0,1]=4 451 B11R0.3 CCCCCCCNCCCC Amb4313708 [1,1,0,0,0,0|1,0,1]=4 452 B11R0.3 CCCCCCNCCCCC Amb6656070 [1,1,0,0,0,0|1,0,1]=4 453 B11R0.3 CCCCCCNCCCOC Amb7760836 [1,1,0,0,0,0|1,0,1]=4 454 B11R0.3 CCCCNCCCCCOC Amb33133268 [1,1,0,0,0,0|1,0,1]=4 455 B11R0.3 CCCCNCCNCCCC Amb20214589 [1,1,0,0,0,0|1,0,1]=4 456 B11R0.3 CCCCOCCOCCCC Amb22168138 [1,1,0,0,0,0|0,0,1]=3 457 B11R0.3 CCCCOCCOCCOC Amb24059881 [1,1,0,0,0,0|1,0,1]=4 458 B11R0.3 CCCCSCCSCCCC Amb9787613 [1,1,0,0,0,0|0,1,1]=4 459 B11R0.3 CCCC\C=C\CCCCCC Amb22546624 [1,1,0,0,0,0|1,0,0]=3 460 B11R0.3 CCCNCCCOCCOC Amb6734665 [1,1,0,0,0,0|1,0,1]=4 461 B11R0.4 CCCCCCCC(O)CCC Amb18803156 [1,1,0,0,0,0|1,0,1]=4 462 B11R0.40 CCCCCCOCC(O)CCl Amb9787121 [1,1,0,0,0,0|1,0,1]=4 463 B11R0.148 CCCCCCCCCC(C)C Amb22043228 [1,1,0,0,0,0|1,0,1]=4 464 B11R0.148 CCCCCCCCCC(C)N Amb6366423 [1,1,0,0,0,0|1,0,1]=4 465 B11R0.148 CCCCCCNCCC(C)C Amb6620655 [1,1,0,0,0,0|1,0,1]=4 466 B11R0.5 CCCCC(=O)CC(=O)OCC Amb10604434 [1,1,0,0,0,0|1,0,1]=4 467 B11R0.11 CCCCC(Br)C(Br)CCCC Amb22641694 [1,1,0,0,0,0|1,0,1]=4 468 B11R0.11 CCCCC(N)C(=O)NCCC Amb18794439 [1,1,0,0,0,0|1,0,0]=3 469 B11R0.11 CCCCN(N)C(=O)CCOC Amb33191495 [1,1,0,0,0,0|2,0,0]=4 470 B11R0.11 CCCCN(N)C(=O)COCC Amb33191499 [1,1,0,0,0,0|2,0,0]=4 471 B11R0.11 CCCCN(N)C(=O)OCCC Amb33191489 [1,1,0,0,0,0|1,0,0]=3 472 B11R0.11 CCCNC(=O)C(N)CCSC Amb23442738 [1,1,0,0,0,0|2,0,0]=4 473 B11R0.11 CCCOC(=O)C(=O)OCCC Amb9787231 [1,1,0,0,0,0|1,0,1]=4 474 B11R0.11 CCCOC(=O)[C@@H](N)CCOC Amb24053178 [1,1,0,0,0,0|1,0,0]=3 475 B11R0.46 CCCCCC(=O)CCC(=O)O Amb4330519 [1,1,0,0,0,0|1,0,1]=4 476 B11R0.46 CCCCCC(=O)OCC(C)Br Amb33276533 [1,1,0,0,0,0|0,0,0]=2 477 B11R0.46 CCCCCC(=O)OCC(C)C Amb9786162 [1,1,0,0,0,0|0,0,0]=2 478 B11R0.46 CCCCOC(=O)CCC(=O)O Amb19888684 [1,1,0,0,0,0|1,0,1]=4 479 B11R0.46 CCCOCC(=O)OCC(C)Br Amb33048228 [1,1,0,0,0,0|1,0,0]=3 480 B11R0.46 CCOCCC(=O)OCC(C)Br Amb33050472 [1,1,0,0,0,0|1,0,0]=3 481 B11R0.46 COCCCC(=O)OCC(C)Br Amb33051836 [1,1,0,0,0,0|1,0,0]=3 482 B11R0.70 CCC(Br)COC(=O)CCOC Amb33050384 [1,1,0,0,0,0|1,0,0]=3 483 B11R0.70 CCCCC(=O)OCC(Br)CC Amb33276505 [1,1,0,0,0,0|0,0,0]=2 484 B11R0.70 CCOCC(=O)OCC(Br)CC Amb33276984 [1,1,0,0,0,0|1,0,0]=3 485 B11R0.147 CCCCC(=O)CCCC(=O)O Amb6305231 [1,1,0,0,0,0|1,0,1]=4 486 B11R0.152 CCCCN(CCCCO)N=O Amb19515934 [1,1,0,0,0,0|2,0,0]=4 487 B11R0.154 CCCCCC(=O)CC(=O)OC Amb19515873 [1,1,0,0,0,0|1,0,1]=4 488 B11R0.155 CCCCNC(=O)C(N)CCC Amb33532338 [1,1,0,0,0,0|1,0,0]=3 489 B11R0.321 CCCCCS(=O)(=O)CCCN Amb17500807 [1,1,0,0,0,0|2,0,0]=4 490 B11R0.321 CCCCOS(=O)(=O)CCCCl Amb10808602 [1,1,0,0,0,0|2,0,0]=4 491 B11R0.321 CCCCS(=O)(=O)CCCCN Amb17501044 [1,1,0,0,0,0|2,0,0]=4 492 B11R0.321 CCCCS(=O)(=O)OCCCN Amb18626295 [1,1,0,0,0,0|2,0,0]=4 493 B13R0.165 CCCCCCC(=O)CCCCCC Amb1158882 [0,2,0,0,0,0|1,0,0]=3 494 B13R0.165 CCCCCCC(=O)OCCCCC Amb24087762 [0,2,0,0,0,0|0,0,0]=2 495 B13R0.165 CCCCCOC(=O)OCCCCC Amb30869572 [0,2,0,0,0,0|0,0,0]=2 496 B13R0.165 CCCCCOS(=O)OCCCCC Amb9787166 [0,2,0,0,0,0|1,0,0]=3 497 B13R0.165 CCCCCO[PH](=O)OCCCCC Amb28990870 [0,2,0,0,0,0|1,0,0]=3 498 B13R0.188 CCCCCC(=O)CCCCC(=O)O Amb6305236 [0,2,0,0,0,0|1,0,1]=4 499 B13R0.193 CCCCCC(=O)CCC(=O)OCC Amb33533586 [0,2,0,0,0,0|1,0,1]=4 500 B13R0.193 CCCCOC(=O)CCC(=O)CC#N Amb24053664 [0,2,0,0,0,0|0,0,2]=4 501 B13R0.338 CCCCCCCC(=O)NCCCN Amb7786424 [0,2,0,0,0,0|2,0,0]=4 502 B13R0.338 CC\C=C/CCOC(=O)CCCCC Amb22367000 [0,2,0,0,0,0|0,0,0]=2 503 B13R0.338 COCCNC(=O)CSCCCCN Amb17500918 [0,2,0,0,0,0|2,0,0]=4 504 B13R0.1171 CCCCN(C)C(=O)CNCCOC Amb24115126 [0,2,0,0,0,0|2,0,0]=4 505 B13R0.1171 CCCCN(C)C(=O)COCCCN Amb18111427 [0,2,0,0,0,0|2,0,0]=4 506 B13R0.1171 CCCCN(C)C(=O)COCCNC Amb18630740 [0,2,0,0,0,0|2,0,0]=4 507 B13R0.339 CCCCNC(=O)NCC(N)C(C)C Amb32716147 [0,2,0,0,0,0|2,0,0]=4 508 B13R0.385 CCCCNC(=O)NCC(C)(N)CC Amb32716053 [0,2,0,0,0,0|2,0,0]=4 509 B13R0.1293 CCCCCC(=O)CC(=O)C(C)CC Amb33355383 [0,2,0,0,0,0|1,0,1]=4 510 B13R0.139 CCCCNC(=O)C(C)NCC(C)C Amb9204344 [0,2,0,0,0,0|2,0,0]=4 511 B13R0.1281 CCCCOC(=O)C(CC)CCCC Amb9787523 [0,2,0,0,0,0|0,0,0]=2 512 B11R1.4 CCCCCNC1CCCC1 Amb6688081 [1,0,0,1,0,0|2,0,0]=4 513 B11R1.4 CCCCOCC1CCCN1 Amb32430276 [1,0,0,1,0,0|1,0,1]=4 514 B11R1.4 CCNC\C=C\C1CCCC1 Amb27271365 [1,0,0,1,0,0|2,0,0]=4 515 B11R1.4 CNCC\C=C\C1CCCC1 Amb27987210 [1,0,0,1,0,0|2,0,0]=4 516 B11R1.4 NCCCOCC1CCCC1 Amb18797162 [1,0,0,1,0,0|1,0,1]=4 517 B11R1.5 CCCC1OC=CCCC1O Amb28190361 [1,0,0,1,0,0|1,0,1]=4 518 B11R1.17 CCCCC1C=CCCC1O Amb27768426 [1,0,0,1,0,0|2,0,0]=4 519 B11R1.17 CCCCC1CCCCC1C Amb24484363 [1,0,0,1,0,0|1,0,1]=4 520 B11R1.17 CCCCC1CNCCC1C Amb26512801 [1,0,0,1,0,0|1,0,1]=4 521 B11R1.17 CCCCC1COCCC1Br Amb27235549 [1,0,0,1,0,0|1,0,1]=4 522 B11R1.17 CCCCC1NCCCC1C Amb25690783 [1,0,0,1,0,0|2,0,0]=4 523 B11R1.17 CCCC[C@@H]1C=CCC[C@H]1Cl Amb27788480 [1,0,0,1,0,0|2,0,0]=4 524 B11R1.17 CCCC[C@@H]1NCCC[C@@H]1C Amb28400060 [1,0,0,1,0,0|2,0,0]=4 525 B11R1.17 CCCC[C@H]1C=CCC[C@H]1O Amb27199462 [1,0,0,1,0,0|2,0,0]=4 526 B11R1.18 CCCCC1CCCC1CC Amb27674064 [1,0,0,1,0,0|1,0,1]=4 527 B11R1.28 BrCCCCC1=CCCCC1 Amb27673529 [1,0,0,1,0,0|2,0,0]=4 528 B11R1.28 BrCCCCC1CCCCO1 Amb32690655 [1,0,0,1,0,0|1,0,1]=4 529 B11R1.28 BrCCCOC1CCCCC1 Amb8828202 [1,0,0,1,0,0|1,0,1]=4 530 B11R1.28 CCCCC=C1CCNCC1 Amb27444136 [1,0,0,1,0,0|2,0,0]=4 531 B11R1.28 CCCCCC1CCCCC1 Amb4035883 [1,0,0,1,0,0|1,0,1]=4 532 B11R1.28 CCCCCC1CCCCN1 Amb35745661 [1,0,0,1,0,0|1,0,1]=4 533 B11R1.28 CCCCCC1CCCCN1 Amb3788144 [1,0,0,1,0,0|1,0,1]=4 534 B11R1.28 CCCCCC1CCOCO1 Amb27673274 [1,0,0,1,0,0|1,0,1]=4 535 B11R1.28 CCCCCN1CCCCC1 Amb10573561 [1,0,0,1,0,0|2,0,0]=4 536 B11R1.28 CCCCCN1CCCCN1 Amb27671793 [1,0,0,1,0,0|2,0,0]=4 537 B11R1.28 CCCCNC1CCCCC1 Amb33548377 [1,0,0,1,0,0|1,0,1]=4 538 B11R1.28 CCCCNC1CCCCC1 Amb4313711 [1,0,0,1,0,0|1,0,1]=4 539 B11R1.28 CCCCOC1CCCCO1 Amb33856103 [1,0,0,1,0,0|1,0,1]=4 540 B11R1.28 CCCCOC1CCCNC1 Amb6701469 [1,0,0,1,0,0|1,0,1]=4 541 B11R1.28 CCCCOC1CCNCC1 Amb8999400 [1,0,0,1,0,0|1,0,1]=4 542 B11R1.28 CCCCO[C@H]1CCCNC1 Amb27492036 [1,0,0,1,0,0|1,0,1]=4 543 B11R1.28 CCCCSC1CCCCC1 Amb17672783 [1,0,0,1,0,0|0,1,1]=4 544 B11R1.28 CCCNCC1=CCCCC1 Amb27492062 [1,0,0,1,0,0|2,0,0]=4 545 B11R1.28 CCCNCC1=CCCCO1 Amb27492674 [1,0,0,1,0,0|1,0,1]=4 546 B11R1.28 CCCNCC1CCCCO1 Amb9258727 [1,0,0,1,0,0|1,0,1]=4 547 B11R1.28 CCNCCC1=CCCCC1 Amb1833361 [1,0,0,1,0,0|2,0,0]=4 548 B11R1.28 CCNCCC1=CCCCC1 Amb6537903 [1,0,0,1,0,0|2,0,0]=4 549 B11R1.28 CCNCCC1CCCCO1 Amb18312531 [1,0,0,1,0,0|1,0,1]=4 550 B11R1.28 CCSCCN1CCCCO1 Amb27987452 [1,0,0,1,0,0|2,0,0]=4 551 B11R1.28 CNCCCC1=CCCCC1 Amb28388045 [1,0,0,1,0,0|2,0,0]=4 552 B11R1.28 CNCCCC1CCCCO1 Amb27266780 [1,0,0,1,0,0|1,0,1]=4 553 B11R1.28 ClCCCCC1CCCCO1 Amb32690653 [1,0,0,1,0,0|1,0,1]=4 554 B11R1.28 ClCCCOC1CCCCC1 Amb6255056 [1,0,0,1,0,0|1,0,1]=4 555 B11R1.28 NCCCCC1CCCCO1 Amb33377397 [1,0,0,1,0,0|1,0,1]=4 556 B11R1.28 NCCCOC1CCCCC1 Amb1154583 [1,0,0,1,0,0|1,0,1]=4 557 B11R1.28 OCCCCC1=CCCCC1 Amb4477238 [1,0,0,1,0,0|2,0,0]=4 558 B11R1.28 OCCCCC1CCCCO1 Amb26658869 [1,0,0,1,0,0|1,0,1]=4 559 B11R1.28 OCCCOC1CCCCC1 Amb6893051 [1,0,0,1,0,0|1,0,1]=4 560 B11R1.41 CCCC1NCCCC1CC Amb6666232 [1,0,0,1,0,0|1,0,1]=4 561 B11R1.47 CCCCCCOC1CNC1 Amb18182290 [1,0,0,1,0,0|1,0,1]=4 562 B11R1.47 CCCNCCOC1CCC1 Amb18179787 [1,0,0,1,0,0|1,0,1]=4 563 B11R1.92 C1CCCCCCCCCC1 Amb25060085 [1,0,0,1,0,0|1,0,1]=4 564 B11R1.92 C1CCCCCNCCCC1 Amb27462141 [1,0,0,1,0,0|1,0,1]=4 565 B11R1.99 CCCCCCOCC1CO1 Amb7761629 [1,0,0,1,0,0|1,0,1]=4 566 B11R1.101 CC1CCC=CCCCNC1 Amb27411878 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.101 O[C@H]1CCCC=CCCCC1 Amb28079246 [1,0,0,1,0,0|2,0,0]=4 568 B11R1.109 CCCC1N=CNC1CCC Amb27673311 [1,0,0,1,0,0|2,0,0]=4 569 B11R1.117 CCCC1CCCCCCN1 Amb27400100 [1,0,0,1,0,0|1,0,1]=4 570 B11R1.117 CNCC1C=CCCCCC1 Amb28206523 [1,0,0,1,0,0|2,0,0]=4 571 B11R1.180 CCCCCC1=CCCC1Br Amb27818538 [1,0,0,1,0,0|2,0,0]=4 572 B11R1.180 CCCCCC1=CCC[C@@H]1O Amb27989471 [1,0,0,1,0,0|2,0,0]=4 573 B11R1.180 CCCCCC1=CCC[C@H]1O Amb27989470 [1,0,0,1,0,0|2,0,0]=4 574 B11R1.180 CCCCCC1OCCC1N Amb27271299 [1,0,0,1,0,0|1,0,1]=4 575 B11R1.180 CCCCCC1OCCC1O Amb27673890 [1,0,0,1,0,0|1,0,1]=4 576 B11R1.180 CCCCCN1CCCC1C Amb27272044 [1,0,0,1,0,0|2,0,0]=4 577 B11R1.180 CCCCCN1CCCC1C Amb28352147 [1,0,0,1,0,0|2,0,0]=4 578 B11R1.180 CCCCC[C@@H]1OCC[C@H]1O Amb27989725 [1,0,0,1,0,0|1,0,1]=4 579 B11R1.180 CCCCOC1CCCC1Br Amb24761922 [1,0,0,1,0,0|1,0,1]=4 580 B11R1.180 CCCCOC1CCCC1I Amb27000729 [1,0,0,1,0,0|1,0,1]=4 581 B11R1.180 CCCCOC1CCCC1N Amb8895216 [1,0,0,1,0,0|1,0,1]=4 582 B11R1.180 CCCCOC1CCCC1O Amb18799957 [1,0,0,1,0,0|1,0,1]=4 583 B11R1.180 CCCNCC1OCCC1C Amb27269992 [1,0,0,1,0,0|1,0,1]=4 584 B11R1.180 CCCN\N=C1/CCCC1C Amb27980066 [1,0,0,1,0,0|2,0,0]=4 585 B11R1.203 CCCCN1CCCCCC1 Amb22347751 [1,0,0,1,0,0|1,0,1]=4 586 B11R1.203 NCCCC1=CCCCCC1 Amb27463491 [1,0,0,1,0,0|2,0,0]=4 587 B11R1.203 OCCC[C@H]1C=CCCCC1 Amb27662385 [1,0,0,1,0,0|2,0,0]=4 588 B11R1.248 CCC1CCCCNCCC1 Amb28398141 [1,0,0,1,0,0|1,0,1]=4 589 B11R1.24 CCCCC1=C[C@H](O)CCC1 Amb27484691 [1,0,0,1,0,0|2,0,0]=4 590 B11R1.24 CCCCC1CCCC(C)N1 Amb27194619 [1,0,0,1,0,0|1,0,1]=4 591 B11R1.24 CCCCN1CCCC(C)C1 Amb26367297 [1,0,0,1,0,0|2,0,0]=4 592 B11R1.24 CCCC[C@@H]1CCC[C@H](C)N1 Amb27200235 [1,0,0,1,0,0|1,0,1]=4 593 B11R1.27 CCCCCC1=CC(Cl)CC1 Amb27987058 [1,0,0,1,0,0|2,0,0]=4 594 B11R1.27 CCCCCC1=CC(N)CC1 Amb27987946 [1,0,0,1,0,0|2,0,0]=4 595 B11R1.27 CCCCCC1=CC(O)CC1 Amb27987048 [1,0,0,1,0,0|2,0,0]=4 596 B11R1.27 CCCCCC1=NCC(C)N1 Amb24764742 [1,0,0,1,0,0|2,0,0]=4 597 B11R1.27 CCCCCC1OCC(C)O1 Amb22229843 [1,0,0,1,0,0|0,0,2]=4 598 B11R1.29 C=CCCC(=O)C1CCCC1 Amb27672467 [1,0,0,1,0,0|0,0,2]=4 599 B11R1.29 C=CCOC(=O)C1CCCC1 Amb26083297 [1,0,0,1,0,0|0,0,2]=4 600 B11R1.29 CC#CCC(=O)C1CCCC1 Amb18181671 [1,0,0,1,0,0|0,0,2]=4 601 B11R1.29 CCCCC(=O)C1=CCCC1 Amb18182810 [1,0,0,1,0,0|0,0,2]=4 602 B11R1.29 CCCCC(=O)C1CCCC1 Amb533155 [1,0,0,1,0,0|0,0,0]=2 603 B11R1.29 CCCCC(=O)C1CCCN1 Amb17232162 [1,0,0,1,0,0|1,0,0]=3 604 B11R1.29 CCCCC(=O)C1CCCO1 Amb27266798 [1,0,0,1,0,0|1,0,0]=3 605 B11R1.29 CCCCC(=O)C1CCNC1 Amb26651180 [1,0,0,1,0,0|1,0,0]=3 606 B11R1.29 CCCCC(=O)C1CCOC1 Amb27269866 [1,0,0,1,0,0|1,0,0]=3 607 B11R1.29 CCCCC(=O)N1CCCC1 Amb3367028 [1,0,0,1,0,0|1,0,0]=3 608 B11R1.29 CCCCC(=O)N1CCCN1 Amb27671774 [1,0,0,1,0,0|2,0,0]=4 609 B11R1.29 CCCCC(=O)N1CCCO1 Amb27818467 [1,0,0,1,0,0|2,0,0]=4 610 B11R1.29 CCCCC(=O)N1CCNC1 Amb28079838 [1,0,0,1,0,0|2,0,0]=4 611 B11R1.29 CCCCC(=O)N1CCSC1 Amb27272322 [1,0,0,1,0,0|2,0,0]=4 612 B11R1.29 CCCCC(=O)[C@@H]1CCCN1 Amb24764726 [1,0,0,1,0,0|1,0,0]=3 613 B11R1.29 CCCCC(=O)[C@@H]1CCNC1 Amb33132068 [1,0,0,1,0,0|1,0,0]=3 614 B11R1.29 CCCCC(=O)[C@H]1CCCN1 Amb33132125 [1,0,0,1,0,0|1,0,0]=3 615 B11R1.29 CCCCC(=O)[C@H]1CCNC1 Amb33132076 [1,0,0,1,0,0|1,0,0]=3 616 B11R1.29 CCCCC(N)C1CCCC1 Amb19026169 [1,0,0,1,0,0|1,0,1]=4 617 B11R1.29 CCCCC(O)C1CCCC1 Amb18182146 [1,0,0,1,0,0|0,0,2]=4 618 B11R1.29 CCCCS(=O)C1CCNC1 Amb27670383 [1,0,0,1,0,0|2,0,0]=4 619 B11R1.29 CCCNC(=O)C1CCCC1 Amb3363419 [1,0,0,1,0,0|1,0,0]=3 620 B11R1.29 CCCNC(=O)C1CCCN1 Amb1107395 [1,0,0,1,0,0|2,0,0]=4 621 B11R1.29 CCCNC(=O)C1CCCO1 Amb6872525 [1,0,0,1,0,0|2,0,0]=4 622 B11R1.29 CCCNC(=O)C1CCOC1 Amb27627841 [1,0,0,1,0,0|2,0,0]=4 623 B11R1.29 CCCNC(=O)[C@@H]1CCCN1 Amb5784216 [1,0,0,1,0,0|2,0,0]=4 624 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 Amb27666519 [1,0,0,1,0,0|2,0,0]=4 625 B11R1.29 CCCNC(=O)[C@@H]1CCNC1 Amb29859971 [1,0,0,1,0,0|2,0,0]=4 626 B11R1.29 CCCNC(=O)[C@H]1CCCO1 Amb28142796 [1,0,0,1,0,0|2,0,0]=4 627 B11R1.29 CCCNC(=O)[C@H]1CCNC1 Amb29860082 [1,0,0,1,0,0|2,0,0]=4 628 B11R1.29 CCCNS(=O)C1CCCC1 Amb27272415 [1,0,0,1,0,0|2,0,0]=4 629 B11R1.29 CCCOC(=O)C1=CCCC1 Amb24763016 [1,0,0,1,0,0|0,0,2]=4 630 B11R1.29 CCCOC(=O)C1CSCN1 Amb10084113 [1,0,0,1,0,0|2,0,0]=4 631 B11R1.29 CCCOC(=O)C1SCCS1 Amb28352097 [1,0,0,1,0,0|2,0,0]=4 632 B11R1.29 CCCOC(=O)N1CCCN1 Amb27671892 [1,0,0,1,0,0|2,0,0]=4 633 B11R1.29 CCCOC(=O)N1CCNC1 Amb28079851 [1,0,0,1,0,0|2,0,0]=4 634 B11R1.29 CCCOC(=O)[C@@H]1CCCN1 Amb18177528 [1,0,0,1,0,0|1,0,0]=3 635 B11R1.29 CCCOC(=O)[C@@H]1CCCO1 Amb27988424 [1,0,0,1,0,0|1,0,0]=3 636 B11R1.29 CCCOC(=O)[C@H]1CCCN1 Amb26083754 [1,0,0,1,0,0|1,0,0]=3 637 B11R1.29 CCCOC(=O)[C@H]1CCCO1 Amb27988425 [1,0,0,1,0,0|1,0,0]=3 638 B11R1.29 CCNCC(=O)C1CCCC1 Amb26651257 [1,0,0,1,0,0|1,0,0]=3 639 B11R1.29 CCNCC(=O)N1CCCC1 Amb6247531 [1,0,0,1,0,0|2,0,0]=4 640 B11R1.29 CCOCC(=O)C1CCCC1 Amb27266588 [1,0,0,1,0,0|1,0,0]=3 641 B11R1.29 CCOCC(=O)C1CCCN1 Amb26651276 [1,0,0,1,0,0|2,0,0]=4 642 B11R1.29 CCOCC(=O)C1CCCO1 Amb27269763 [1,0,0,1,0,0|2,0,0]=4 643 B11R1.29 CCOCC(=O)C1CCNC1 Amb26651319 [1,0,0,1,0,0|2,0,0]=4 644 B11R1.29 CCOCC(=O)C1CCOC1 Amb27266586 [1,0,0,1,0,0|2,0,0]=4 645 B11R1.29 CCOCC(=O)C1CCSC1 Amb27988548 [1,0,0,1,0,0|2,0,0]=4 646 B11R1.29 CCOCC(=O)N1CCCC1 Amb3445501 [1,0,0,1,0,0|2,0,0]=4 647 B11R1.29 CCOCC(=O)[C@@H]1CCCN1 Amb33132142 [1,0,0,1,0,0|2,0,0]=4 648 B11R1.29 CCOCC(=O)[C@@H]1CCNC1 Amb33132070 [1,0,0,1,0,0|2,0,0]=4 649 B11R1.29 CCOCC(=O)[C@H]1CCCN1 Amb33132127 [1,0,0,1,0,0|2,0,0]=4 650 B11R1.29 CCOCC(=O)[C@H]1CCNC1 Amb33132078 [1,0,0,1,0,0|2,0,0]=4 651 B11R1.29 CCSCC(=O)N1CCCC1 Amb27271934 [1,0,0,1,0,0|2,0,0]=4 652 B11R1.29 CNCCC(=O)C1CCCC1 Amb26651275 [1,0,0,1,0,0|1,0,0]=3 653 B11R1.29 CNCCC(=O)N1CCCC1 Amb10079268 [1,0,0,1,0,0|2,0,0]=4 654 B11R1.29 COCCC(=O)C1CCCN1 Amb17232205 [1,0,0,1,0,0|2,0,0]=4 655 B11R1.29 COCCC(=O)N1CCCC1 Amb27818370 [1,0,0,1,0,0|2,0,0]=4 656 B11R1.29 COCNC(=O)C1CCCC1 Amb27200433 [1,0,0,1,0,0|2,0,0]=4 657 B11R1.29 CSCCC(=O)N1CCCC1 Amb27818366 [1,0,0,1,0,0|2,0,0]=4 658 B11R1.29 N#CCCC(=O)C1CCCC1 Amb18181694 [1,0,0,1,0,0|1,0,1]=4 659 B11R1.29 NCCCC(=O)C1CCCC1 Amb18200351 [1,0,0,1,0,0|1,0,0]=3 660 B11R1.29 NCCCC(=O)C1CCOC1 Amb18199998 [1,0,0,1,0,0|2,0,0]=4 661 B11R1.29 NCCCC(=O)N1CCCC1 Amb33743332 [1,0,0,1,0,0|2,0,0]=4 662 B11R1.29 NCCCC(=O)N1CCCC1 Amb5785126 [1,0,0,1,0,0|2,0,0]=4 663 B11R1.29 NCCNC(=O)C1CCCC1 Amb1135805 [1,0,0,1,0,0|2,0,0]=4 664 B11R1.29 NCCNC(=O)C1CCCC1 Amb13952111 [1,0,0,1,0,0|2,0,0]=4 665 B11R1.29 O=C(CCCCl)N1CCCC1 Amb1139575 [1,0,0,1,0,0|2,0,0]=4 666 B11R1.29 O=C(CCCO)N1CCCC1 Amb17232202 [1,0,0,1,0,0|2,0,0]=4 667 B11R1.29 O=C(NCCCl)C1CCCC1 Amb18790716 [1,0,0,1,0,0|2,0,0]=4 668 B11R1.29 O=C(OCCBr)C1CCCC1 Amb33276551 [1,0,0,1,0,0|1,0,0]=3 669 B11R1.29 O=C(OCCBr)C1CCCO1 Amb33050560 [1,0,0,1,0,0|2,0,0]=4 670 B11R1.29 O=C(OCCBr)C1CCCS1 Amb33051977 [1,0,0,1,0,0|2,0,0]=4 671 B11R1.29 O=C(OCCBr)C1CCOC1 Amb33050413 [1,0,0,1,0,0|2,0,0]=4 672 B11R1.29 O=C(OCCBr)C1CCSC1 Amb33051948 [1,0,0,1,0,0|2,0,0]=4 673 B11R1.29 O=C(OCCBr)N1CCCC1 Amb27491895 [1,0,0,1,0,0|2,0,0]=4 674 B11R1.29 O=C(OCCF)C1CCCC1 Amb27988732 [1,0,0,1,0,0|1,0,0]=3 675 B11R1.29 O=C(OCCF)C1CCCO1 Amb27988733 [1,0,0,1,0,0|2,0,0]=4 676 B11R1.29 O=C(OCCF)C1CCCS1 Amb27271915 [1,0,0,1,0,0|2,0,0]=4 677 B11R1.29 O=C(OCCF)C1CCOC1 Amb27271916 [1,0,0,1,0,0|2,0,0]=4 678 B11R1.29 O=C(OCCF)C1CCSC1 Amb27271917 [1,0,0,1,0,0|2,0,0]=4 679 B11R1.29 O=C(OCCO)N1CCCC1 Amb27670349 [1,0,0,1,0,0|2,0,0]=4 680 B11R1.29 O=C(OCCO)[C@@H]1CCCN1 Amb25383814 [1,0,0,1,0,0|2,0,0]=4 681 B11R1.29 O=C(OCCO)[C@@H]1CCCO1 Amb27818443 [1,0,0,1,0,0|2,0,0]=4 682 B11R1.29 O=C(OCCO)[C@H]1CCCO1 Amb27818444 [1,0,0,1,0,0|2,0,0]=4 683 B11R1.37 C#CC1CC(=O)CCC1CC Amb32865509 [1,0,0,1,0,0|0,0,2]=4 684 B11R1.37 CCC1=C(CC)CC(=O)CC1 Amb28285363 [1,0,0,1,0,0|0,0,2]=4 685 B11R1.37 CCC1CC(=O)CCN1CC Amb24698875 [1,0,0,1,0,0|1,0,0]=3 686 B11R1.37 CCC1CCC(=O)CC1C#N Amb32865490 [1,0,0,1,0,0|1,0,1]=4 687 B11R1.37 CCC1CCC(=O)CC1CC Amb27250772 [1,0,0,1,0,0|0,0,0]=2 688 B11R1.37 CCC1CCC(=O)CC1CCl Amb32865505 [1,0,0,1,0,0|1,0,0]=3 689 B11R1.37 CCC1CCC(=O)CC1CN Amb32867767 [1,0,0,1,0,0|1,0,0]=3 690 B11R1.37 CCC1CCC(=O)CC1NC Amb32867094 [1,0,0,1,0,0|1,0,0]=3 691 B11R1.37 CCC1CCC(=O)CC1OC Amb32867616 [1,0,0,1,0,0|1,0,0]=3 692 B11R1.37 CCC1CCC(=O)CC1SC Amb32867593 [1,0,0,1,0,0|1,0,0]=3 693 B11R1.37 CCC1CCC(N)CC1CC Amb32866397 [1,0,0,1,0,0|1,0,1]=4 694 B11R1.37 CCC1CNC(=O)CC1CC Amb28386622 [1,0,0,1,0,0|1,0,0]=3 695 B11R1.37 CCC1CNC(=O)OC1CC Amb28198823 [1,0,0,1,0,0|1,0,0]=3 696 B11R1.37 CCC1NC(=O)CSC1CC Amb28365527 [1,0,0,1,0,0|2,0,0]=4 697 B11R1.37 CC[C@@H]1NC(=O)CC[C@H]1CC Amb27493523 [1,0,0,1,0,0|1,0,0]=3 698 B11R1.110 CCCC1CCCCC(=O)N1 Amb2229640 [1,0,0,1,0,0|1,0,0]=3 699 B11R1.110 CCCC1CCCCC(Cl)C1 Amb27981131 [1,0,0,1,0,0|1,0,1]=4 700 B11R1.110 CCCN1CCCNC(=O)C1 Amb27176452 [1,0,0,1,0,0|2,0,0]=4 701 B11R1.110 CCC[C@@H]1CSCCC(=O)N1 Amb27169108 [1,0,0,1,0,0|2,0,0]=4 702 B11R1.110 COCC1CCCCC(=O)C1 Amb27246950 [1,0,0,1,0,0|1,0,0]=3 703 B11R1.110 N#CCC1CCCCC(=O)C1 Amb27174178 [1,0,0,1,0,0|1,0,1]=4 704 B11R1.110 NCCC1CCCCC(=O)N1 Amb19515432 [1,0,0,1,0,0|2,0,0]=4 705 B11R1.110 NCCC1CCCNC(=O)C1 Amb27468807 [1,0,0,1,0,0|2,0,0]=4 706 B11R1.110 O=C1CCCCC(CCCl)O1 Amb27407753 [1,0,0,1,0,0|1,0,0]=3 707 B11R1.110 O=C1CCCC[C@@H](CCO)O1 Amb27197176 [1,0,0,1,0,0|1,0,0]=3 708 B11R1.110 O=C1CN(CCO)CCCO1 Amb27613231 [1,0,0,1,0,0|2,0,0]=4 709 B11R1.110 O=CCC1CCCCC(=O)C1 Amb28286724 [1,0,0,1,0,0|1,0,1]=4 710 B11R1.145 O=C1CCCOC(=O)CCC1 Amb28074815 [1,0,0,1,0,0|1,0,1]=4 711 B11R1.182 C#CCC1CC(=O)CCC1C Amb32865364 [1,0,0,1,0,0|0,0,2]=4 712 B11R1.182 C=CCC1CC(=O)CCC1C Amb26449307 [1,0,0,1,0,0|0,0,2]=4 713 B11R1.182 CC1CCC(=O)CC1CC#N Amb32865385 [1,0,0,1,0,0|1,0,1]=4 714 B11R1.182 CCCC1CC(=O)CCC1C Amb24467090 [1,0,0,1,0,0|0,0,0]=2 715 B11R1.182 CCCC1CC(=O)CCN1C Amb26844011 [1,0,0,1,0,0|1,0,0]=3 716 B11R1.182 CCCC1CC(N)CCC1C Amb32866207 [1,0,0,1,0,0|1,0,1]=4 717 B11R1.182 CCC[C@H]1NC(=O)CC[C@@H]1O Amb28286997 [1,0,0,1,0,0|2,0,0]=4 718 B11R1.182 CCNC1CC(=O)CCC1C Amb32867009 [1,0,0,1,0,0|1,0,0]=3 719 B11R1.182 CCOC1CC(=O)CCC1C Amb32867554 [1,0,0,1,0,0|1,0,0]=3 720 B11R1.182 CCSC1CC(=O)CCC1C Amb32867505 [1,0,0,1,0,0|1,0,0]=3 721 B11R1.182 CNCC1CC(=O)CCC1C Amb32865389 [1,0,0,1,0,0|1,0,0]=3 722 B11R1.182 COCC1CC(=O)CCC1C Amb32865261 [1,0,0,1,0,0|1,0,0]=3 723 B11R1.182 C[C@H]1CCC(=O)O[C@H]1CCO Amb28319708 [1,0,0,1,0,0|1,0,0]=3 724 B11R1.183 CCC1OC(=O)OC1CCO Amb27805266 [1,0,0,1,0,0|2,0,0]=4 725 B11R1.183 CCCC1CC(=O)CC1CC Amb28343137 [1,0,0,1,0,0|0,0,0]=2 726 B11R1.183 CCCC1CC(=O)OC1CO Amb27768434 [1,0,0,1,0,0|1,0,0]=3 727 B11R1.183 CCCC1OC(=O)NC1CO Amb28068824 [1,0,0,1,0,0|2,0,0]=4 728 B11R1.183 CCC[C@@H]1CC(=O)C[C@H]1CC Amb24604137 [1,0,0,1,0,0|0,0,0]=2 729 B11R1.183 CCC[C@@H]1OC(=O)N[C@@H]1CO Amb27981987 [1,0,0,1,0,0|2,0,0]=4 730 B11R1.183 CCC[C@H]1CC(=O)C[C@@H]1CC Amb27632339 [1,0,0,1,0,0|0,0,0]=2 731 B11R1.183 CCC[C@H]1CC(=O)O[C@@H]1CO Amb27213796 [1,0,0,1,0,0|1,0,0]=3 732 B11R1.183 CC[C@H]1OC(=O)O[C@H]1CCO Amb27981932 [1,0,0,1,0,0|2,0,0]=4 733 B11R1.214 CCCCN1CCC(CC)C1 Amb28352089 [1,0,0,1,0,0|2,0,0]=4 734 B11R1.245 CCC1CCCC=CC(=O)C1 Amb27954110 [1,0,0,1,0,0|0,0,2]=4 735 B11R1.245 CCC1CCCCCC(=O)N1 Amb25313080 [1,0,0,1,0,0|1,0,0]=3 736 B11R1.245 COC1CCCCCC(=O)C1 Amb27164648 [1,0,0,1,0,0|1,0,0]=3 737 B11R1.276 C=C1CCCCC(CO)CC1 Amb28126497 [1,0,0,1,0,0|2,0,0]=4 738 B11R1.276 CCC1CCCCC(=O)NC1 Amb28287711 [1,0,0,1,0,0|1,0,0]=3 739 B11R1.276 CC[C@@H]1CCCC[C@@H](O)CC1 Amb25945281 [1,0,0,1,0,0|0,0,2]=4 740 B11R1.282 CC#CCC(=O)[C@@H]1C[C@H]1CC Amb27213991 [1,0,0,1,0,0|0,0,2]=4 741 B11R1.282 CCCCC(=O)C1CC1CN Amb33132463 [1,0,0,1,0,0|1,0,0]=3 742 B11R1.282 CCCCC(=O)[C@@H]1C[C@@H]1CN Amb33132485 [1,0,0,1,0,0|1,0,0]=3 743 B11R1.282 CCOCC(=O)C1CC1CN Amb33132468 [1,0,0,1,0,0|2,0,0]=4 744 B11R1.282 CCOCC(=O)[C@@H]1C[C@@H]1CN Amb33132492 [1,0,0,1,0,0|2,0,0]=4 745 B11R1.283 CC1CC1CC(=O)CCCN Amb33132724 [1,0,0,1,0,0|1,0,0]=3 746 B11R1.283 CC1CC1NC(=O)OCCO Amb27670346 [1,0,0,1,0,0|2,0,0]=4 747 B11R1.283 CCCCC(=O)N[C@@H]1C[C@H]1C Amb28387916 [1,0,0,1,0,0|1,0,0]=3 748 B11R1.283 CCNCC(=O)CC1CC1C Amb33132717 [1,0,0,1,0,0|1,0,0]=3 749 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1C Amb28387917 [1,0,0,1,0,0|2,0,0]=4 750 B11R1.283 CNCCC(=O)CC1CC1C Amb33132723 [1,0,0,1,0,0|1,0,0]=3 751 B11R1.283 CSCCC(=O)NC1CC1C Amb27271817 [1,0,0,1,0,0|2,0,0]=4 752 B11R1.284 C#CCCC(=O)CC1CCC1 Amb28386673 [1,0,0,1,0,0|0,0,2]=4 753 B11R1.284 C#CCOC(=O)CC1CCC1 Amb27988695 [1,0,0,1,0,0|0,0,2]=4 754 B11R1.284 CCCCC(=O)C=C1CCC1 Amb28080272 [1,0,0,1,0,0|0,0,2]=4 755 B11R1.284 CCCCC(=O)CC1CNC1 Amb33307232 [1,0,0,1,0,0|1,0,0]=3 756 B11R1.284 CCCNC(=O)CC1CCC1 Amb27818861 [1,0,0,1,0,0|1,0,0]=3 757 B11R1.284 CCCNC(=O)NC1CCC1 Amb2177939 [1,0,0,1,0,0|2,0,0]=4 758 B11R1.284 CCCOC(=O)C=C1CCC1 Amb28352098 [1,0,0,1,0,0|0,0,2]=4 759 B11R1.284 CCNCC(=O)CC1CCC1 Amb33307302 [1,0,0,1,0,0|1,0,0]=3 760 B11R1.284 CCNCC(=O)NC1CCC1 Amb19022277 [1,0,0,1,0,0|2,0,0]=4 761 B11R1.284 CCOCC(=O)CC1CNC1 Amb33307296 [1,0,0,1,0,0|2,0,0]=4 762 B11R1.284 CCONC(=O)CC1CCC1 Amb27818801 [1,0,0,1,0,0|2,0,0]=4 763 B11R1.284 CC\C=C\C(=O)OC1CCC1 Amb27270580 [1,0,0,1,0,0|0,0,2]=4 764 B11R1.284 CNCCC(=O)CC1CCC1 Amb33307304 [1,0,0,1,0,0|1,0,0]=3 765 B11R1.284 CNCCC(=O)NC1CCC1 Amb19022275 [1,0,0,1,0,0|2,0,0]=4 766 B11R1.284 CSCCC(=O)NC1CCC1 Amb27271823 [1,0,0,1,0,0|2,0,0]=4 767 B11R1.284 N#CCOC(=O)CC1CCC1 Amb27988696 [1,0,0,1,0,0|1,0,1]=4 768 B11R1.284 NCCCC(=O)CC1CCC1 Amb33307305 [1,0,0,1,0,0|1,0,0]=3 769 B11R1.284 NCCCC(=O)NC1CCC1 Amb18310638 [1,0,0,1,0,0|2,0,0]=4 770 B11R1.284 NCCCC(=O)NC1CCC1 Amb33465377 [1,0,0,1,0,0|2,0,0]=4 771 B11R1.284 NCCNC(=O)CC1CCC1 Amb28387061 [1,0,0,1,0,0|2,0,0]=4 772 B11R1.284 NCCOC(=O)NC1CCC1 Amb28387519 [1,0,0,1,0,0|2,0,0]=4 773 B11R1.284 O=C(CC1CCC1)NCCBr Amb28386687 [1,0,0,1,0,0|2,0,0]=4 774 B11R1.284 O=C(CC1CCC1)NCCCl Amb28386686 [1,0,0,1,0,0|2,0,0]=4 775 B11R1.284 O=C(CC1CCC1)NCCI Amb28386689 [1,0,0,1,0,0|2,0,0]=4 776 B11R1.284 O=C(CC1CCC1)NCCO Amb28386678 [1,0,0,1,0,0|2,0,0]=4 777 B11R1.284 O=C(NC1CCC1)OCCBr Amb28387531 [1,0,0,1,0,0|2,0,0]=4 778 B11R1.284 O=C(NC1CCC1)OCCCl Amb28387532 [1,0,0,1,0,0|2,0,0]=4 779 B11R1.284 O=C(NC1CCC1)OCCO Amb27670347 [1,0,0,1,0,0|2,0,0]=4 780 B11R1.285 CCCCC(=O)CNC1CC1 Amb33307231 [1,0,0,1,0,0|1,0,0]=3 781 B11R1.285 CCCCC(=O)OC[C@@H]1CO1 Amb28988550 [1,0,0,1,0,0|1,0,0]=3 782 B11R1.285 CCCNC(=O)CNC1CC1 Amb6242381 [1,0,0,1,0,0|2,0,0]=4 783 B11R1.285 CCCNC(=O)NCC1CC1 Amb28387533 [1,0,0,1,0,0|2,0,0]=4 784 B11R1.285 CCNCC(=O)CCC1CC1 Amb33307240 [1,0,0,1,0,0|1,0,0]=3 785 B11R1.285 CCNCC(=O)CCC1CO1 Amb33307859 [1,0,0,1,0,0|2,0,0]=4 786 B11R1.285 CCOCC(=O)CNC1CC1 Amb29847019 [1,0,0,1,0,0|2,0,0]=4 787 B11R1.285 CNCCC(=O)CCC1CC1 Amb33307244 [1,0,0,1,0,0|1,0,0]=3 788 B11R1.285 CNCCC(=O)CCC1CO1 Amb33307866 [1,0,0,1,0,0|2,0,0]=4 789 B11R1.285 NCCCC(=O)CCC1CC1 Amb33307249 [1,0,0,1,0,0|1,0,0]=3 790 B11R1.285 NCCCC(=O)CCC1CO1 Amb33307867 [1,0,0,1,0,0|2,0,0]=4 791 B11R1.285 O=C(CCC1CC1)OCCBr Amb33051925 [1,0,0,1,0,0|1,0,0]=3 792 B11R1.286 CCCCC(=O)N1CCC1C Amb27270306 [1,0,0,1,0,0|1,0,0]=3 793 B11R1.286 CSCCC(=O)N1CCC1C Amb27271827 [1,0,0,1,0,0|2,0,0]=4 794 B11R1.299 C#CCCCC(=O)C1CCC1 Amb27988347 [1,0,0,1,0,0|0,0,2]=4 795 B11R1.299 C#CCCOC(=O)C1CCC1 Amb27988697 [1,0,0,1,0,0|0,0,2]=4 796 B11R1.299 CC#CCOC(=O)C1CCC1 Amb27473828 [1,0,0,1,0,0|0,0,2]=4 797 B11R1.299 CCCCCC(=O)C1CNC1 Amb33307256 [1,0,0,1,0,0|1,0,0]=3 798 B11R1.299 CCCCNC(=O)[C@H]1CCN1 Amb27989092 [1,0,0,1,0,0|2,0,0]=4 799 B11R1.299 CCCNCC(=O)C1CCC1 Amb33307061 [1,0,0,1,0,0|1,0,0]=3 800 B11R1.299 CCCOCC(=O)C1CNC1 Amb33307245 [1,0,0,1,0,0|2,0,0]=4 801 B11R1.299 CCNCCC(=O)C1CCC1 Amb33307062 [1,0,0,1,0,0|1,0,0]=3 802 B11R1.299 CNCCCC(=O)C1CCC1 Amb33307059 [1,0,0,1,0,0|1,0,0]=3 803 B11R1.299 C\C=C\COC(=O)C1CCC1 Amb28326497 [1,0,0,1,0,0|0,0,2]=4 804 B11R1.299 N#CCCOC(=O)C1CCC1 Amb27271887 [1,0,0,1,0,0|1,0,1]=4 805 B11R1.299 NCCCCC(=O)C1CCC1 Amb33307060 [1,0,0,1,0,0|1,0,0]=3 806 B11R1.299 NCCCNC(=O)C1CCC1 Amb33552167 [1,0,0,1,0,0|2,0,0]=4 807 B11R1.299 NCCCNC(=O)C1CCC1 Amb6272510 [1,0,0,1,0,0|2,0,0]=4 808 B11R1.299 NCCOCC(=O)C1CCC1 Amb33307063 [1,0,0,1,0,0|2,0,0]=4 809 B11R1.299 NCCSCC(=O)C1CCC1 Amb32663299 [1,0,0,1,0,0|2,0,0]=4 810 B11R1.299 O=C(NCCCO)C1CCC1 Amb9274777 [1,0,0,1,0,0|2,0,0]=4 811 B11R1.301 CCCCNC(=O)NC1CC1 Amb27269665 [1,0,0,1,0,0|2,0,0]=4 812 B11R1.301 CCCCNC(=O)OC1CC1 Amb32697661 [1,0,0,1,0,0|1,0,0]=3 813 B11R1.301 CCCNCC(=O)CC1CC1 Amb33307220 [1,0,0,1,0,0|1,0,0]=3 814 B11R1.301 CCNCCC(=O)CC1CC1 Amb33307222 [1,0,0,1,0,0|1,0,0]=3 815 B11R1.301 CNCCCC(=O)CC1CC1 Amb33307214 [1,0,0,1,0,0|1,0,0]=3 816 B11R1.301 COCCNC(=O)OC1CC1 Amb32697655 [1,0,0,1,0,0|2,0,0]=4 817 B11R1.301 NCCCCC(=O)CC1CC1 Amb33307219 [1,0,0,1,0,0|1,0,0]=3 818 B11R1.301 NCCOCC(=O)CC1CC1 Amb33307229 [1,0,0,1,0,0|2,0,0]=4 819 B11R1.301 NCCSCC(=O)CC1CC1 Amb33307356 [1,0,0,1,0,0|2,0,0]=4 820 B11R1.303 C=CC[C@@H]1C(=O)CC[C@@H]1CC Amb27802725 [1,0,0,1,0,0|0,0,2]=4 821 B11R1.303 CCC1CCC(=O)N1CCN Amb18644860 [1,0,0,1,0,0|2,0,0]=4 822 B11R1.303 CCCN1C(=O)OCC1CCl Amb27983805 [1,0,0,1,0,0|2,0,0]=4 823 B11R1.303 CCC[C@@H]1C(=O)CC[C@H]1CC Amb27434309 [1,0,0,1,0,0|0,0,0]=2 824 B11R1.339 CCCC1=CC(=O)C1CCC Amb27672325 [1,0,0,1,0,0|0,0,2]=4 825 B11R1.339 CCCC1C(=O)CC1OCC Amb27271728 [1,0,0,1,0,0|1,0,0]=3 826 B11R1.339 CCCC1NC(=O)C1CCC Amb27673659 [1,0,0,1,0,0|1,0,0]=3 827 B11R1.339 CCC[C@@H]1C(=O)C[C@H]1OCC Amb27672555 [1,0,0,1,0,0|1,0,0]=3 828 B11R1.339 CCC[C@H]1C(=O)C[C@H]1OCC Amb27672556 [1,0,0,1,0,0|1,0,0]=3 829 B11R1.339 CCO[C@@H]1CC(=O)[C@@H]1OCC Amb27673708 [1,0,0,1,0,0|2,0,0]=4 830 B11R1.391 C=C1CCC(O)C(CC)CC1 Amb27768503 [1,0,0,1,0,0|2,0,0]=4 831 B11R1.391 CO[C@@H]1CCC(=O)CC[C@@H]1C Amb27428026 [1,0,0,1,0,0|1,0,0]=3 832 B11R1.465 CC1CCC(=O)N1CCCBr Amb27868890 [1,0,0,1,0,0|2,0,0]=4 833 B11R1.465 CC1COC(=O)N1CCCN Amb28205539 [1,0,0,1,0,0|2,0,0]=4 834 B11R1.465 CC1OCC(=O)C1CCCF Amb29856750 [1,0,0,1,0,0|2,0,0]=4 835 B11R1.465 CC1OCC(=O)C1CCCO Amb29864317 [1,0,0,1,0,0|2,0,0]=4 836 B11R1.465 CCCCC1=C(C)CCC1=O Amb2725846 [1,0,0,1,0,0|0,0,2]=4 837 B11R1.465 CCCCC1C(=O)COC1C Amb29864314 [1,0,0,1,0,0|1,0,0]=3 838 B11R1.465 CCCCN1C(=O)CCC1C Amb22330634 [1,0,0,1,0,0|1,0,0]=3 839 B11R1.465 CCCCN1C(=O)CNC1C Amb24446415 [1,0,0,1,0,0|2,0,0]=4 840 B11R1.465 CCCC[C@@H]1C(=O)OC[C@@H]1O Amb27632041 [1,0,0,1,0,0|1,0,0]=3 841 B11R1.465 CNCCN1C(=O)CCC1C Amb27662729 [1,0,0,1,0,0|2,0,0]=4 842 B11R1.465 COCCC1C(=O)COC1C Amb29864316 [1,0,0,1,0,0|2,0,0]=4 843 B11R1.465 CSCCC1C(=O)CCN1C Amb27839736 [1,0,0,1,0,0|2,0,0]=4 844 B11R1.465 CSCCC1C(=O)COC1C Amb29857033 [1,0,0,1,0,0|2,0,0]=4 845 B11R1.465 CSCC[C@@H]1C(=O)CCN1C Amb18197881 [1,0,0,1,0,0|2,0,0]=4 846 B11R1.605 C=C1CCCC(C)C1CCO Amb4014507 [1,0,0,1,0,0|2,0,0]=4 847 B11R1.605 C=CC[C@@H]1C(=O)CCC[C@@H]1C Amb28285934 [1,0,0,1,0,0|0,0,2]=4 848 B11R1.605 C=CC[C@@H]1C(=O)CCC[C@H]1C Amb26427951 [1,0,0,1,0,0|0,0,2]=4 849 B11R1.605 CCCC1C(=O)CCCC1=O Amb27648609 [1,0,0,1,0,0|1,0,1]=4 850 B11R1.605 CCCC1C(C)CCCN1C Amb27598382 [1,0,0,1,0,0|2,0,0]=4 851 B11R1.605 CCCN1C(=O)CNCC1C Amb26489058 [1,0,0,1,0,0|2,0,0]=4 852 B11R1.605 CCC[C@H]1C(=N)NCC[C@H]1C Amb27194144 [1,0,0,1,0,0|2,0,0]=4 853 B11R1.756 CCCCCC1(N)CCCC1 Amb19026043 [1,0,0,1,0,0|1,0,1]=4 854 B11R1.756 CCCCCC1(O)CCCC1 Amb4020059 [1,0,0,1,0,0|0,0,2]=4 855 B11R1.841 CCCCC1C(=O)NC1CC Amb27673663 [1,0,0,1,0,0|1,0,0]=3 856 B11R1.841 CC[C@@H]1NC(=O)[C@H]1CCOC Amb27989677 [1,0,0,1,0,0|2,0,0]=4 857 B11R1.900 CCCCC1(N)CCCCC1 Amb18993520 [1,0,0,1,0,0|1,0,1]=4 858 B11R1.900 CCCCC1(O)CCCCC1 Amb4012810 [1,0,0,1,0,0|0,0,2]=4 859 B11R1.900 CCCC[N+]1(C)CCCCC1 Amb27426765 [1,0,0,1,0,0|2,0,0]=4 860 B11R1.1034 C#CCCCC(=O)C1CC1C Amb27988352 [1,0,0,1,0,0|0,0,2]=4 861 B11R1.1034 C#CCCOC(=O)C1CC1C Amb28326438 [1,0,0,1,0,0|0,0,2]=4 862 B11R1.1034 C#CCCOC(=O)[C@@H]1C[C@H]1C Amb27269845 [1,0,0,1,0,0|0,0,2]=4 863 B11R1.1034 C#CCCOC(=O)[C@H]1C[C@@H]1C Amb27269844 [1,0,0,1,0,0|0,0,2]=4 864 B11R1.1034 CC#CCOC(=O)[C@@H]1C[C@H]1C Amb27211833 [1,0,0,1,0,0|0,0,2]=4 865 B11R1.1034 CC#CCOC(=O)[C@H]1C[C@@H]1C Amb28054586 [1,0,0,1,0,0|0,0,2]=4 866 B11R1.1034 CC1CC1C(=O)NCCCF Amb28326411 [1,0,0,1,0,0|2,0,0]=4 867 B11R1.1034 CC1CC1C(=O)OCCC#N Amb28326439 [1,0,0,1,0,0|1,0,1]=4 868 B11R1.1034 COCCNC(=O)[C@@H]1C[C@H]1C Amb27271921 [1,0,0,1,0,0|2,0,0]=4 869 B11R1.1034 COCCNC(=O)[C@H]1C[C@@H]1C Amb27271922 [1,0,0,1,0,0|2,0,0]=4 870 B11R1.1034 CSCCNC(=O)[C@@H]1C[C@H]1C Amb27987484 [1,0,0,1,0,0|2,0,0]=4 871 B11R1.1034 CSCCNC(=O)[C@H]1C[C@@H]1C Amb27987485 [1,0,0,1,0,0|2,0,0]=4 872 B11R1.1034 C\C=C\COC(=O)C1CC1C Amb28326496 [1,0,0,1,0,0|0,0,2]=4 873 B11R1.1133 CCCCC1(N)CCCC1C Amb18125901 [1,0,0,1,0,0|1,0,1]=4 874 B13R1.24 CC#CCOC(=O)C1CCOCC1 Amb28454143 [0,1,0,1,0,0|0,0,2]=4 875 B13R1.24 CCCCCC(=O)N1CCNCC1 Amb2694438 [0,1,0,1,0,0|1,0,0]=3 876 B13R1.24 CCCCNC(=O)C1CCCNC1 Amb13951802 [0,1,0,1,0,0|1,0,0]=3 877 B13R1.24 CCCCNC(=O)C1CCCNC1 Amb6254497 [0,1,0,1,0,0|1,0,0]=3 878 B13R1.24 CCCCNC(=O)C1CCNCC1 Amb19514830 [0,1,0,1,0,0|1,0,0]=3 879 B13R1.24 CCCCNC(=O)C1CCNCC1 Amb2372001 [0,1,0,1,0,0|1,0,0]=3 880 B13R1.24 CCCCNC(=O)N1CCNCC1 Amb6745546 [0,1,0,1,0,0|2,0,0]=4 881 B13R1.24 CCCCOC(=O)N1CCNCC1 Amb21963870 [0,1,0,1,0,0|1,0,0]=3 882 B13R1.24 CCCSCC(=O)N1CCNCC1 Amb17503968 [0,1,0,1,0,0|2,0,0]=4 883 B13R1.24 CCOCCC(=O)N1CCNCC1 Amb18313110 [0,1,0,1,0,0|2,0,0]=4 884 B13R1.24 CCSCCC(=O)N1CCNCC1 Amb17503568 [0,1,0,1,0,0|2,0,0]=4 885 B13R1.24 COCCNC(=O)C1CCCCN1 Amb21958808 [0,1,0,1,0,0|2,0,0]=4 886 B13R1.24 COCCNC(=O)C1CCCNC1 Amb6253722 [0,1,0,1,0,0|2,0,0]=4 887 B13R1.24 COCCNC(=O)C1CCNCC1 Amb2371999 [0,1,0,1,0,0|2,0,0]=4 888 B13R1.24 NCCCCC(=O)N1CCCCC1 Amb32675520 [0,1,0,1,0,0|2,0,0]=4 889 B13R1.24 NCCCCC(=O)N1CCCCC1 Amb32675522 [0,1,0,1,0,0|2,0,0]=4 890 B13R1.24 NCCCNC(=O)C1CCCCC1 Amb6267121 [0,1,0,1,0,0|2,0,0]=4 891 B13R1.24 O=C(CCCCBr)N1CCCCC1 Amb17259763 [0,1,0,1,0,0|2,0,0]=4 892 B13R1.24 O=C(CCCCBr)N1CCOCC1 Amb17261227 [0,1,0,1,0,0|2,0,0]=4 893 B13R1.24 O=C(CCCCO)N1CCCCC1 Amb17234201 [0,1,0,1,0,0|2,0,0]=4 894 B13R1.24 O=C(CCCCO)N1CCOCC1 Amb17234391 [0,1,0,1,0,0|2,0,0]=4 895 B13R1.24 O=C(NCCCCl)C1CCCCC1 Amb3887077 [0,1,0,1,0,0|2,0,0]=4 896 B13R1.24 O=C(NCCCO)C1CCCCC1 Amb5798391 [0,1,0,1,0,0|2,0,0]=4 897 B13R1.24 O=C(NCCCO)C1CCNCC1 Amb1111214 [0,1,0,1,0,0|2,0,0]=4 898 B13R1.34 C#CCCCN1CCCCCC1=O Amb27164338 [0,1,0,1,0,0|1,0,1]=4 899 B13R1.34 CC#CCCC1CCCCNC1=O Amb27791982 [0,1,0,1,0,0|1,0,1]=4 900 B13R1.34 CCCCOC1CCCCCC1Br Amb32710524 [0,1,0,1,0,0|1,0,1]=4 901 B13R1.34 CCCCOC1CCCCCC1I Amb33348106 [0,1,0,1,0,0|1,0,1]=4 902 B13R1.34 CCCNCC1CCCCNC1=O Amb32756832 [0,1,0,1,0,0|1,0,0]=3 903 B13R1.48 CCCCCCC(=O)C1CCCC1 Amb533044 [0,1,0,1,0,0|1,0,0]=3 904 B13R1.48 CCCNCCC(=O)N1CCCC1 Amb6726320 [0,1,0,1,0,0|1,0,0]=3 905 B13R1.48 CNCCCNC(=O)C1CCCO1 Amb8629138 [0,1,0,1,0,0|2,0,0]=4 906 B13R1.48 COCCNCC(=O)N1CCCC1 Amb6707126 [0,1,0,1,0,0|2,0,0]=4 907 B13R1.48 NCCCCCC(=O)N1CCCC1 Amb6266579 [0,1,0,1,0,0|1,0,0]=3 908 B13R1.156 CCCCCC(=O)CC1OCCO1 Amb22000771 [0,1,0,1,0,0|2,0,0]=4 909 B13R1.156 CCCCOC(=O)CC1OCCO1 Amb22000804 [0,1,0,1,0,0|1,0,0]=3 910 B13R1.209 O=C1CCN(CCO)CCCCN1 Amb28253177 [0,1,0,1,0,0|2,0,0]=4 911 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,1,0,1,0,0|1,0,0]=3 912 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,1,0,1,0,0|1,0,0]=3 913 B13R1.279 O=C1CNCCCCCCCCN1 Amb27240963 [0,1,0,1,0,0|1,0,0]=3 914 B13R1.486 O=C1CCCCCC(CCCO)N1 Amb18191307 [0,1,0,1,0,0|1,0,0]=3 915 B13R1.556 C#CCCC1CC(=O)CCC1CC Amb32865460 [0,1,0,1,0,0|1,0,1]=4 916 B13R1.556 CC#CCC1CC(=O)CCC1CC Amb32865471 [0,1,0,1,0,0|1,0,1]=4 917 B13R1.725 CC#CCCC(=O)C1OCCC1C Amb27459160 [0,1,0,1,0,0|0,0,2]=4 918 B13R1.725 CC#CCOC(=O)C1CCCC1C Amb27802075 [0,1,0,1,0,0|0,0,2]=4 919 B13R1.725 CCCCCC(=O)C1CCCC1=O Amb33355376 [0,1,0,1,0,0|1,0,1]=4 920 B13R1.725 CCCCOC(=O)C1CCCC1=O Amb3940590 [0,1,0,1,0,0|0,0,1]=3 921 B13R1.728 CCCCNC(=O)COC1CNC1 Amb32941327 [0,1,0,1,0,0|2,0,0]=4 922 B13R1.728 CCCCOC(=O)COC1CNC1 Amb32941386 [0,1,0,1,0,0|1,0,0]=3 923 B13R1.728 O=C(CCCCBr)NCC1CCO1 Amb33042657 [0,1,0,1,0,0|2,0,0]=4 924 B13R1.728 O=C(CCCCCl)NCC1CCO1 Amb33042656 [0,1,0,1,0,0|2,0,0]=4 925 B13R1.1604 CCCCN1CC(C)CNCC1=O Amb24429926 [0,1,0,1,0,0|2,0,0]=4 926 B13R1.1604 CCCCN1CC(C)NCCC1=O Amb26058046 [0,1,0,1,0,0|2,0,0]=4 927 B13R1.1627 C=C1CCCCC(O)C1CCCC Amb27456456 [0,1,0,1,0,0|2,0,0]=4 928 B13R1.1627 C=C1CCCC[C@@H](O)[C@@H]1CCCC Amb27792971 [0,1,0,1,0,0|2,0,0]=4 929 B13R1.1627 CCCCN1C(=O)CCCCC1=O Amb27752704 [0,1,0,1,0,0|1,0,1]=4 930 B13R1.1627 CCCCN1C(=O)CCNCC1C Amb25816934 [0,1,0,1,0,0|1,0,0]=3 931 B13R1.1627 CCCCN1C(=O)CNCCC1C Amb26515026 [0,1,0,1,0,0|1,0,0]=3 932 B13R1.1627 COCCN1C(=O)CCNCC1C Amb25086148 [0,1,0,1,0,0|2,0,0]=4 933 B13R1.1627 COCCN1C(=O)CNCCC1C Amb25962048 [0,1,0,1,0,0|2,0,0]=4 934 B13R1.1887 NCCCCOC1CCCCCC1 Amb19058185 [0,1,0,1,0,0|1,0,1]=4 935 B13R1.2917 CCCCCNC(=O)CNC1CC1 Amb19074844 [0,1,0,1,0,0|2,0,0]=4 936 B13R1.2917 COCCCNC(=O)CNC1CC1 Amb19075782 [0,1,0,1,0,0|2,0,0]=4 937 B13R1.3803 O=C1CCC=CCC(O)CCCO1 Amb27457854 [0,1,0,1,0,0|0,0,2]=4 938 B13R1.3803 O=C1CCCCCC(O)CCCO1 Amb28205496 [0,1,0,1,0,0|0,0,0]=2 939 B13R1.623 COC1=NCCCCCCCCC1 Amb33621275 [0,1,0,1,0,0|1,0,1]=4 940 B13R1.8938 CCCCOC1(CBr)CCCCC1 Amb32710470 [0,1,0,1,0,0|1,0,1]=4 941 B13R1.8938 CCCCOC1(CI)CCCCC1 Amb33347998 [0,1,0,1,0,0|1,0,1]=4 942 B13R1.23 CCCCOC(=O)C1CCC(=O)N1 Amb9786469 [0,1,0,1,0,0|1,0,1]=4 943 B13R1.162 CCC(Br)COC(=O)C1=CCCC1 Amb33049845 [0,1,0,1,0,0|0,0,2]=4 944 B13R1.162 CCC(Br)COC(=O)C1CC=CC1 Amb33050380 [0,1,0,1,0,0|0,0,2]=4 945 B13R1.162 CCC(Br)COC(=O)C1CCCC1 Amb33276546 [0,1,0,1,0,0|0,0,0]=2 946 B13R1.162 CCC(Br)COC(=O)C1CCCO1 Amb33050557 [0,1,0,1,0,0|1,0,0]=3 947 B13R1.162 CCC(Br)COC(=O)C1CCCS1 Amb33051959 [0,1,0,1,0,0|1,0,0]=3 948 B13R1.162 CCC(Br)COC(=O)C1CCOC1 Amb33050410 [0,1,0,1,0,0|1,0,0]=3 949 B13R1.162 CCC(Br)COC(=O)C1CCSC1 Amb33051944 [0,1,0,1,0,0|1,0,0]=3 950 B13R1.162 CCC(Br)COC(=O)C1CSCN1 Amb33276558 [0,1,0,1,0,0|2,0,0]=4 951 B13R1.527 C=C(CC)CC1CCCCNC1=O Amb27411170 [0,1,0,1,0,0|1,0,1]=4 952 B13R1.527 CC(CBr)CN1CCCCCC1=O Amb28193317 [0,1,0,1,0,0|2,0,0]=4 953 B13R1.527 CC(CO)CC1CCCCNC1=O Amb25155659 [0,1,0,1,0,0|2,0,0]=4 954 B13R1.527 CC(CO)CN1CCCCCC1=O Amb28059333 [0,1,0,1,0,0|2,0,0]=4 955 B13R1.527 CCC(C)CC1NCCCNC1=O Amb32719954 [0,1,0,1,0,0|2,0,0]=4 956 B13R1.527 CCC(C)CN1CCNCCC1=O Amb35641579 [0,1,0,1,0,0|2,0,0]=4 957 B13R1.527 CCC(O)CC1CCCCNC1=O Amb24554974 [0,1,0,1,0,0|1,0,0]=3 958 B13R1.527 CNC(C)CN1CCCCCC1=O Amb18294584 [0,1,0,1,0,0|2,0,0]=4 959 B13R1.527 O=C1NCCCCC1CC(O)CF Amb24691499 [0,1,0,1,0,0|2,0,0]=4 960 B13R1.527 O=C1NCCCCC1CC(O)CO Amb25198223 [0,1,0,1,0,0|2,0,0]=4 961 B13R1.1711 CCC(C)CNC1=NCCCCC1 Amb27225617 [0,1,0,1,0,0|2,0,0]=4 962 B13R1.1927 CC1CCC(=O)N(CCCBr)CC1 Amb27973188 [0,1,0,1,0,0|2,0,0]=4 963 B13R1.1927 CCCCN1CCC(C)NCC1=O Amb25214620 [0,1,0,1,0,0|2,0,0]=4 964 B13R1.1927 CNCCN1CCC(C)CCC1=O Amb27168913 [0,1,0,1,0,0|2,0,0]=4 965 B13R1.2209 CCC(C)C1CC(=O)CCC1CC Amb32865476 [0,1,0,1,0,0|1,0,0]=3 966 B13R1.2209 CCC1CCC(=O)CC1N(C)CC Amb32867077 [0,1,0,1,0,0|2,0,0]=4 967 B13R1.2209 CCC1CCC(=O)CC1S(=O)CC Amb32867628 [0,1,0,1,0,0|2,0,0]=4 968 B13R1.3065 CCCCNC(=O)NCC1(N)CC1 Amb33228777 [0,1,0,1,0,0|2,0,0]=4 969 B13R1.3395 COCCN1C(=O)CCC(N)C1C Amb27880286 [0,1,0,1,0,0|2,0,0]=4 970 B13R1.3546 CCC(Br)COC(=O)CCC1CC1 Amb33051922 [0,1,0,1,0,0|0,0,0]=2 971 B13R1.4122 CCCC1CC(CC)CCC(=O)N1 Amb27794847 [0,1,0,1,0,0|1,0,0]=3 972 B13R1.4928 CCC(N)CC1C(C)=CCCC1C Amb27776917 [0,1,0,1,0,0|2,0,0]=4 973 B13R1.280 CC(=O)CCN1CCCCCC1=O Amb27608223 [0,1,0,1,0,0|1,0,1]=4 974 B13R1.280 CC(C)CCN1CCCNCC1=O Amb25726718 [0,1,0,1,0,0|2,0,0]=4 975 B13R1.280 CC(C)CCN1CCNCCC1=O Amb27812298 [0,1,0,1,0,0|2,0,0]=4 976 B13R1.280 CC(C)CNC1CCCCNC1=O Amb6707290 [0,1,0,1,0,0|2,0,0]=4 977 B13R1.280 CC(N)COC1CCCCNC1=O Amb35735016 [0,1,0,1,0,0|2,0,0]=4 978 B13R1.280 CC(N)CSC1CCCCNC1=O Amb27596320 [0,1,0,1,0,0|2,0,0]=4 979 B13R1.280 CC(O)CCC1CCCCNC1=O Amb25153793 [0,1,0,1,0,0|1,0,0]=3 980 B13R1.280 CC(O)CCN1CCCCCC1=O Amb19075285 [0,1,0,1,0,0|1,0,0]=3 981 B13R1.280 CC(O)CCN1CCNCCC1=O Amb35641612 [0,1,0,1,0,0|2,0,0]=4 982 B13R1.342 CC(C)CCNC(=O)[C@@H]1CCCN1 Amb5784361 [0,1,0,1,0,0|2,0,0]=4 983 B13R1.356 CCCC1CC(=O)CCC1C(C)C Amb32865602 [0,1,0,1,0,0|1,0,0]=3 984 B13R1.356 CCCC1CC(=O)CCN1C(C)C Amb24733879 [0,1,0,1,0,0|2,0,0]=4 985 B13R1.356 CCNC1CC(=O)CCC1C(C)C Amb32867139 [0,1,0,1,0,0|2,0,0]=4 986 B13R1.356 CCOC1CC(=O)CCC1C(C)C Amb32867672 [0,1,0,1,0,0|2,0,0]=4 987 B13R1.356 CCSC1CC(=O)CCC1C(C)C Amb32867671 [0,1,0,1,0,0|2,0,0]=4 988 B13R1.356 CNCC1CC(=O)CCC1C(C)C Amb32865625 [0,1,0,1,0,0|2,0,0]=4 989 B13R1.356 COCC1CC(=O)CCC1C(C)C Amb32865604 [0,1,0,1,0,0|2,0,0]=4 990 B13R1.774 CC1(C)CCCCNC(=O)CCC1 Amb27949581 [0,1,0,1,0,0|1,0,0]=3 991 B13R1.774 CC1(C)CCNCCC(=O)NCC1 Amb32656614 [0,1,0,1,0,0|2,0,0]=4 992 B13R1.1620 CCCCN1C(=O)CNCC1(C)C Amb27495728 [0,1,0,1,0,0|2,0,0]=4 993 B13R1.1988 CC(C)CC\N=C1/CCCCCN1 Amb22077851 [0,1,0,1,0,0|2,0,0]=4 994 B13R1.2744 CCCCOC(=O)[C@@H]1C[C@@H]1C(=O)O Amb30869361 [0,1,0,1,0,0|1,0,1]=4 995 B13R1.2744 CCCCOC(=O)[C@H]1C[C@H]1C(=O)O Amb33806136 [0,1,0,1,0,0|1,0,1]=4 996 B13R1.3089 C=C(C)CC1CC(=O)CCC1CC Amb32865473 [0,1,0,1,0,0|1,0,1]=4 997 B13R1.3089 CCC1CCC(=O)CC1CC(C)C Amb32865462 [0,1,0,1,0,0|1,0,0]=3 998 B13R1.3089 CCC1CCC(=O)CC1OC(C)C Amb32867618 [0,1,0,1,0,0|2,0,0]=4 999 B13R1.3089 CCC1CCC(=O)CC1SC(C)C Amb32867606 [0,1,0,1,0,0|2,0,0]=4 1000 B13R1.3089 CCN1CCC(=O)CC1CC(C)C Amb26022327 [0,1,0,1,0,0|2,0,0]=4 1001 B13R1.3787 CC(C)CCN1C(=O)CNCC1C Amb26017942 [0,1,0,1,0,0|2,0,0]=4 1002 B13R1.3787 CC1=C(CCC(C)O)C(=O)CCC1 Amb27857948 [0,1,0,1,0,0|1,0,1]=4 1003 B13R1.7541 CC1CCCC(=O)OCCC(=O)N1 Amb27947459 [0,1,0,1,0,0|1,0,1]=4 1004 B13R1.33 CCCC(=N)NC(=O)C1CCCC1 Amb27456081 [0,1,0,1,0,0|1,0,1]=4 1005 B13R1.33 CCCC(=O)CC(=O)C1CCCC1 Amb33290989 [0,1,0,1,0,0|1,0,1]=4 1006 B13R1.289 CC1CCCCCCCCC(=O)N1 Amb28365005 [0,1,0,1,0,0|1,0,0]=3 1007 B13R1.463 CC(CCN)N1CCCCCC1=O Amb28321180 [0,1,0,1,0,0|2,0,0]=4 1008 B13R1.463 CCCC(=O)C1CCCCCC1=O Amb26036690 [0,1,0,1,0,0|1,0,1]=4 1009 B13R1.463 CCCN(C)C1CCCCCC1=O Amb19057261 [0,1,0,1,0,0|2,0,0]=4 1010 B13R1.565 CCCCN1CC(CCN)OC1=O Amb32863707 [0,1,0,1,0,0|2,0,0]=4 1011 B13R1.1650 CCCCN1CCNC(C)CC1=O Amb27977723 [0,1,0,1,0,0|2,0,0]=4 1012 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 Amb8832800 [0,1,0,1,0,0|1,0,1]=4 1013 B13R1.9135 CCCC1(C)CC(=O)CCN1CC Amb26656667 [0,1,0,1,0,0|2,0,0]=4 1014 B13R1.166 CCCCN(C)C(=O)[C@@H]1CCCN1 Amb5784363 [0,1,0,1,0,0|2,0,0]=4 1015 B13R1.166 CCNCC(O)C(=O)N1CCCC1 Amb32698364 [0,1,0,1,0,0|2,0,0]=4 1016 B13R1.166 CSCC[C@@H](N)C(=O)N1CCCC1 Amb18015067 [0,1,0,1,0,0|2,0,0]=4 1017 B13R1.203 O=C1CCCCCCCCCC1O Amb28282020 [0,1,0,1,0,0|1,0,0]=3 1018 B13R1.1917 CC1CCCCN(CCCO)C1=O Amb28064183 [0,1,0,1,0,0|2,0,0]=4 1019 B13R1.1917 CCCCN1CCCNC(C)C1=O Amb27810429 [0,1,0,1,0,0|2,0,0]=4 1020 B13R1.1917 CCCCN1CCNCC(C)C1=O Amb26038770 [0,1,0,1,0,0|2,0,0]=4 1021 B13R1.1958 C[C@@]1(CCCCl)CCCCNC1=O Amb27771945 [0,1,0,1,0,0|2,0,0]=4 1022 B13R1.2747 CC#CCOC(=O)C1(C)CCCC1 Amb28283592 [0,1,0,1,0,0|0,0,2]=4 1023 B13R1.2747 CC#CCOC(=O)C1(F)CCCC1 Amb27591159 [0,1,0,1,0,0|0,0,2]=4 1024 B13R1.2747 CCCCOC(=O)C1(N)CCOC1 Amb30628573 [0,1,0,1,0,0|1,0,0]=3 1025 B13R1.2747 CCCCOC(=O)[C@]1(N)CCOC1 Amb30628574 [0,1,0,1,0,0|1,0,0]=3 1026 B13R1.3555 CCCCN(C)C(=O)CNC1CC1 Amb19074843 [0,1,0,1,0,0|2,0,0]=4 1027 B13R2.208 O=C1CCCCCC12CCCC2 Amb25202509 [0,0,0,2,0,0|1,0,0]=3 1028 B13R2.208 O=C1CCCCCC12CCNC2 Amb18826928 [0,0,0,2,0,0|2,0,0]=4 1029 B13R2.208 O=C1NCCCCC12CCCC2 Amb24398741 [0,0,0,2,0,0|1,0,0]=3 1030 B13R2.208 O=C1NCCCCC12CCCN2 Amb28240428 [0,0,0,2,0,0|2,0,0]=4 1031 B13R2.208 O=C1NCCCCC12CCNC2 Amb32862919 [0,0,0,2,0,0|2,0,0]=4 1032 B13R2.208 O=C1NCCCNC12CCCC2 Amb28368025 [0,0,0,2,0,0|2,0,0]=4 1033 B13R2.383 CN1CC[C@@H]2C(=O)CCCC[C@@H]21 Amb27780834 [0,0,0,2,0,0|2,0,0]=4 1034 B13R2.383 CN1CC[C@@H]2C(=O)CCCC[C@H]21 Amb28144217 [0,0,0,2,0,0|2,0,0]=4 1035 B13R2.383 O=C1CCC2C(O)CCCCN12 Amb27207369 [0,0,0,2,0,0|2,0,0]=4 1036 B13R2.1035 NCCCN1CC2CCC2C1=O Amb27442022 [0,0,0,2,0,0|2,0,0]=4 1037 B13R2.2442 O=C1CC2CCCC12CCCCl Amb27408509 [0,0,0,2,0,0|2,0,0]=4 1038 B13R2.2453 CCCC[C@H]1C(=O)[C@H]2CCC[C@H]21 Amb28253723 [0,0,0,2,0,0|1,0,0]=3 1039 B13R2.3045 O=C1CCCCCC1CC2CC2 Amb27970302 [0,0,0,2,0,0|1,0,0]=3 1040 B13R2.3045 O=C1CCCCCN1CC2CO2 Amb6244103 [0,0,0,2,0,0|2,0,0]=4 1041 B13R2.3045 O=C1CCCCCN1C[C@@H]2CO2 Amb27978743 [0,0,0,2,0,0|2,0,0]=4 1042 B13R2.3045 O=C1CCNCCN1CC2CC2 Amb21964981 [0,0,0,2,0,0|2,0,0]=4 1043 B13R2.3045 O=C1NCCCNC1CC2CC2 Amb32719943 [0,0,0,2,0,0|2,0,0]=4 1044 B13R2.3045 O=C1NCCCN[C@H]1CC2CC2 Amb32719940 [0,0,0,2,0,0|2,0,0]=4 1045 B13R2.3729 O=C1CCC2CCCNCC2N1 Amb28397430 [0,0,0,2,0,0|2,0,0]=4 1046 B13R2.3729 O=C1CCC2CCNCCC2N1 Amb27593578 [0,0,0,2,0,0|2,0,0]=4 1047 B13R2.3729 O=C1CCC2CNCCCC2N1 Amb27614658 [0,0,0,2,0,0|2,0,0]=4 1048 B13R2.3729 O=C1CC[C@@H]2CCCNC[C@H]2N1 Amb18826475 [0,0,0,2,0,0|2,0,0]=4 1049 B13R2.3729 O=C1CC[C@@H]2CCNCC[C@H]2N1 Amb18826473 [0,0,0,2,0,0|2,0,0]=4 1050 B13R2.3729 O=C1CC[C@@H]2CNCCC[C@H]2N1 Amb18826479 [0,0,0,2,0,0|2,0,0]=4 1051 B13R2.3729 O=C1CC[C@H]2CCCCC[C@@H]2N1 Amb27663610 [0,0,0,2,0,0|1,0,0]=3 1052 B13R2.3729 O=C1NC2CCCCCC2CO1 Amb27832446 [0,0,0,2,0,0|1,0,0]=3 1053 B13R2.4718 O=C1N[C@@H]2CCCC[C@H]1CNC2 Amb28346860 [0,0,0,2,0,0|2,0,0]=4 1054 B13R2.4901 O=C1CCNCCN1C2CCC2 Amb27846930 [0,0,0,2,0,0|2,0,0]=4 1055 B13R2.4901 O=C1NCCCNC1C2CCC2 Amb32719947 [0,0,0,2,0,0|2,0,0]=4 1056 B13R2.5252 O=C1C=CCCC2CCCCC12 Amb28253747 [0,0,0,2,0,0|1,0,1]=4 1057 B13R2.5252 O=C1CCCC[C@H]2CCCC[C@@H]12 Amb28202238 [0,0,0,2,0,0|1,0,0]=3 1058 B13R2.5252 O=C1NCCCC2CCCCC12 Amb27413893 [0,0,0,2,0,0|1,0,0]=3 1059 B13R2.4820 O=C1CCCC2=C1CCCCC2 Amb28202323 [0,0,0,2,0,0|1,0,1]=4 1060 B13R2.4820 O=C1CCCC2CCCCC=C12 Amb28461159 [0,0,0,2,0,0|1,0,1]=4 1061 B13R2.4820 O=C1CCC[C@H]2CCCCC[C@H]12 Amb27212437 [0,0,0,2,0,0|1,0,0]=3 1062 B13R2.4820 O=C1CCNC2CCCCCN12 Amb33295208 [0,0,0,2,0,0|2,0,0]=4 1063 B13R2.4820 O=C1CCOC2CCCCCC12 Amb18826487 [0,0,0,2,0,0|2,0,0]=4 1064 B13R2.4820 O=C1NCCN2CCCCCC12 Amb2692468 [0,0,0,2,0,0|2,0,0]=4 1065 B13R2.4828 O=C1CCCC2CCCC(C1)C2 Amb28351584 [0,0,0,2,0,0|1,0,0]=3 1066 B13R2.4828 O=C1CCC[C@@H]2CCC[C@H](C1)C2 Amb27854596 [0,0,0,2,0,0|1,0,0]=3 1067 B13R2.5179 CC1CC=C2C(=O)CCCC2C1 Amb28461212 [0,0,0,2,0,0|1,0,1]=4 1068 B13R2.5179 CC1CCC2C(=O)CCCC2C1 Amb27854668 [0,0,0,2,0,0|1,0,0]=3 1069 B13R2.5179 CC1CCC2C(=O)CCCN2C1 Amb27859407 [0,0,0,2,0,0|2,0,0]=4 1070 B13R2.5179 CC1CCCC2=CC(=O)CCC21 Amb17594083 [0,0,0,2,0,0|1,0,1]=4 1071 B13R2.5179 CC1CCCC2NC(=O)CCC12 Amb27815132 [0,0,0,2,0,0|1,0,0]=3 1072 B13R2.5179 CC1CCCC2NC(=S)CCC12 Amb28245762 [0,0,0,2,0,0|1,1,0]=4 1073 B13R2.5179 CC1CCN2C(=O)CCCC2C1 Amb27413805 [0,0,0,2,0,0|1,0,0]=3 1074 B13R2.5179 CC1NCCC2CC(=O)CCC21 Amb27259415 [0,0,0,2,0,0|2,0,0]=4 1075 B13R2.5179 CC1NCCC2NC(=O)CCC12 Amb28123726 [0,0,0,2,0,0|2,0,0]=4 1076 B13R2.5179 CN1CCCC2CC(=O)CCC21 Amb27876196 [0,0,0,2,0,0|2,0,0]=4 1077 B13R2.5179 CN1CC[C@@H]2C(=O)CCC[C@H]2C1 Amb27196256 [0,0,0,2,0,0|2,0,0]=4 1078 B13R2.5179 CN1CC[C@H]2C(=O)CCC[C@@H]2C1 Amb28052514 [0,0,0,2,0,0|2,0,0]=4 1079 B13R2.5179 C[C@@H]1CCCC2=CC(=O)CC[C@H]21 Amb27212471 [0,0,0,2,0,0|1,0,1]=4 1080 B13R2.5179 C[C@@H]1CCC[C@@H]2CC(=O)CCN12 Amb27428327 [0,0,0,2,0,0|2,0,0]=4 1081 B13R2.5179 C[C@H]1CCC[C@@H]2NC(=O)CC[C@H]12 Amb27790359 [0,0,0,2,0,0|1,0,0]=3 1082 B13R2.5179 C[C@H]1NCC[C@@H]2CC(=O)CC[C@@H]21 Amb27876628 [0,0,0,2,0,0|2,0,0]=4 1083 B13R2.5179 NC1CCCC2NC(=O)CCC12 Amb23452730 [0,0,0,2,0,0|2,0,0]=4 1084 B13R2.5179 O=C1CC2CCCC(=O)C2CO1 Amb28322045 [0,0,0,2,0,0|1,0,1]=4 1085 B13R2.5179 O=C1C[C@@H]2CCCC(=O)[C@H]2CO1 Amb27261987 [0,0,0,2,0,0|1,0,1]=4 1086 B13R2.11128 CC1CCOC2(CCCCC2)N1 Amb33194272 [0,0,0,2,0,0|1,0,1]=4 1087 B13R2.11128 CC1CCOC2(CCCCC2)O1 Amb4158276 [0,0,0,2,0,0|0,0,2]=4 1088 B13R2.4 CCC1COC(C2CCNC2)=N1 Amb27958979 [0,0,0,2,0,0|2,0,0]=4 1089 B13R2.195 CC1CC1NC(=O)C2CCCC2 Amb27804741 [0,0,0,2,0,0|1,0,0]=3 1090 B13R2.195 CC1CC1NC(=O)C2CCCO2 Amb27649925 [0,0,0,2,0,0|2,0,0]=4 1091 B13R2.195 CC1CC1NC(=O)C2CCSC2 Amb27594418 [0,0,0,2,0,0|2,0,0]=4 1092 B13R2.195 CC1CC1NC(=O)[C@@H]2CCCO2 Amb27432005 [0,0,0,2,0,0|2,0,0]=4 1093 B13R2.195 CC1CC1NC(=O)[C@@H]2CCNC2 Amb35679846 [0,0,0,2,0,0|2,0,0]=4 1094 B13R2.195 CC1CC1NC(=O)[C@H]2CCCN2 Amb27810582 [0,0,0,2,0,0|2,0,0]=4 1095 B13R2.195 CC1CC1NC(=O)[C@H]2CCNC2 Amb35679848 [0,0,0,2,0,0|2,0,0]=4 1096 B13R2.195 C[C@@H]1C[C@H]1NC(=O)C2CCCC2 Amb27947590 [0,0,0,2,0,0|1,0,0]=3 1097 B13R2.195 C[C@@H]1C[C@H]1NC(=O)C2CCCS2 Amb28046425 [0,0,0,2,0,0|2,0,0]=4 1098 B13R2.195 C[C@@H]1C[C@H]1NC(=O)C2CCOC2 Amb27843192 [0,0,0,2,0,0|2,0,0]=4 1099 B13R2.278 NCCC1CC(=O)N2CCCC12 Amb28197691 [0,0,0,2,0,0|2,0,0]=4 1100 B13R2.405 CC1CCN1C(=O)C2CCCC2 Amb27414769 [0,0,0,2,0,0|1,0,0]=3 1101 B13R2.405 CN1CCC1C(=O)C2CCCC2 Amb28196492 [0,0,0,2,0,0|2,0,0]=4 1102 B13R2.443 O=C(CNC1CC1)N2CCCC2 Amb6251121 [0,0,0,2,0,0|2,0,0]=4 1103 B13R2.443 O=C(NCC1CC1)C2CCCC2 Amb10706332 [0,0,0,2,0,0|1,0,0]=3 1104 B13R2.443 O=C(NCC1CC1)C2CCCN2 Amb6253097 [0,0,0,2,0,0|2,0,0]=4 1105 B13R2.443 O=C(NCC1CC1)C2CCCO2 Amb8331917 [0,0,0,2,0,0|2,0,0]=4 1106 B13R2.443 O=C(NCC1CC1)C2CCCS2 Amb28047929 [0,0,0,2,0,0|2,0,0]=4 1107 B13R2.443 O=C(NCC1CC1)C2CCNC2 Amb18302727 [0,0,0,2,0,0|2,0,0]=4 1108 B13R2.443 O=C(NCC1CC1)C2CCOC2 Amb28047930 [0,0,0,2,0,0|2,0,0]=4 1109 B13R2.443 O=C(NCC1CC1)C2CCSC2 Amb27852713 [0,0,0,2,0,0|2,0,0]=4 1110 B13R2.443 O=C(NCC1CC1)N2CCCC2 Amb27749617 [0,0,0,2,0,0|2,0,0]=4 1111 B13R2.443 O=C(NCC1CC1)[C@@H]2CCCO2 Amb28189847 [0,0,0,2,0,0|2,0,0]=4 1112 B13R2.443 O=C(NCC1CC1)[C@@H]2CCNC2 Amb27854436 [0,0,0,2,0,0|2,0,0]=4 1113 B13R2.443 O=C(NCC1CC1)[C@@H]2CCNC2 Amb35675142 [0,0,0,2,0,0|2,0,0]=4 1114 B13R2.445 O=C(CC1CCC1)C2=CCCC2 Amb28198332 [0,0,0,2,0,0|1,0,1]=4 1115 B13R2.445 O=C(CC1CCC1)C2CCCO2 Amb28423964 [0,0,0,2,0,0|2,0,0]=4 1116 B13R2.445 O=C(CC1CCC1)C2CCCS2 Amb27265478 [0,0,0,2,0,0|2,0,0]=4 1117 B13R2.445 O=C(CC1CCC1)C2CCOC2 Amb27237295 [0,0,0,2,0,0|2,0,0]=4 1118 B13R2.445 O=C(CC1CCC1)C2CCSC2 Amb27162840 [0,0,0,2,0,0|2,0,0]=4 1119 B13R2.445 O=C(CC1CCC1)N2CCCO2 Amb27410329 [0,0,0,2,0,0|2,0,0]=4 1120 B13R2.445 O=C(CC1CCC1)N2CCSC2 Amb27163817 [0,0,0,2,0,0|2,0,0]=4 1121 B13R2.445 O=C(CC1CCC1)[C@@H]2CCCN2 Amb35659990 [0,0,0,2,0,0|2,0,0]=4 1122 B13R2.445 O=C(CC1CCC1)[C@@H]2CCNC2 Amb30039139 [0,0,0,2,0,0|2,0,0]=4 1123 B13R2.445 O=C(CC1CCC1)[C@H]2CCCN2 Amb30038968 [0,0,0,2,0,0|2,0,0]=4 1124 B13R2.445 O=C(CC1CCC1)[C@H]2CCNC2 Amb29889921 [0,0,0,2,0,0|2,0,0]=4 1125 B13R2.445 O=C(CC1CCN1)N2CCCC2 Amb27186140 [0,0,0,2,0,0|2,0,0]=4 1126 B13R2.445 O=C(CC1CNC1)C2CCCC2 Amb27173384 [0,0,0,2,0,0|2,0,0]=4 1127 B13R2.445 O=C(CC1CNC1)N2CCCC2 Amb27412841 [0,0,0,2,0,0|2,0,0]=4 1128 B13R2.445 O=C(NC1CCC1)C2CCCO2 Amb25079765 [0,0,0,2,0,0|2,0,0]=4 1129 B13R2.445 O=C(NC1CCC1)C2CCOC2 Amb28242396 [0,0,0,2,0,0|2,0,0]=4 1130 B13R2.445 O=C(NC1CCC1)[C@@H]2CCCO2 Amb28204894 [0,0,0,2,0,0|2,0,0]=4 1131 B13R2.445 O=C(NC1CCC1)[C@H]2CCNC2 Amb30007877 [0,0,0,2,0,0|2,0,0]=4 1132 B13R2.445 O=C(OC1CCC1)N2CCCC2 Amb28282848 [0,0,0,2,0,0|1,0,0]=3 1133 B13R2.445 O=C(OC1CCC1)N2CCCO2 Amb28075618 [0,0,0,2,0,0|2,0,0]=4 1134 B13R2.445 O=C(OC1CCC1)N2CCNC2 Amb27630886 [0,0,0,2,0,0|2,0,0]=4 1135 B13R2.445 O=C(OC1CNC1)C2CCCC2 Amb21956323 [0,0,0,2,0,0|1,0,0]=3 1136 B13R2.445 O=C(OC1CNC1)N2CCCC2 Amb23598248 [0,0,0,2,0,0|2,0,0]=4 1137 B13R2.445 O=C(OC1COC1)C2CCCC2 Amb28063413 [0,0,0,2,0,0|1,0,0]=3 1138 B13R2.445 O=C(OC1COC1)C2CCSC2 Amb27406691 [0,0,0,2,0,0|2,0,0]=4 1139 B13R2.445 O=C(OC1COC1)[C@@H]2CCCN2 Amb27587653 [0,0,0,2,0,0|2,0,0]=4 1140 B13R2.549 CCC1CC1C(=O)C2CCOC2 Amb28320562 [0,0,0,2,0,0|2,0,0]=4 1141 B13R2.549 CC[C@@H]1C[C@H]1C(=O)N2CCCC2 Amb28383889 [0,0,0,2,0,0|1,0,0]=3 1142 B13R2.549 COC1CC1C(=O)C2CCCC2 Amb35717377 [0,0,0,2,0,0|2,0,0]=4 1143 B13R2.549 COC1CC1C(=O)N2CCCC2 Amb35671250 [0,0,0,2,0,0|2,0,0]=4 1144 B13R2.611 O=C1CC[C@H](CO)[C@H]2CCCN12 Amb28435807 [0,0,0,2,0,0|2,0,0]=4 1145 B13R2.674 O=C(C1CCCC1)C2CCCC2 Amb10608586 [0,0,0,2,0,0|1,0,0]=3 1146 B13R2.674 O=C(C1CCCC1)C2CCNC2 Amb27770965 [0,0,0,2,0,0|2,0,0]=4 1147 B13R2.674 O=C(C1CCCC1)N2CCCN2 Amb27783450 [0,0,0,2,0,0|2,0,0]=4 1148 B13R2.674 O=C(C1CCCC1)[C@@H]2CCNC2 Amb30039140 [0,0,0,2,0,0|2,0,0]=4 1149 B13R2.674 O=C(C1CCCC1)[C@H]2CCCN2 Amb30038969 [0,0,0,2,0,0|2,0,0]=4 1150 B13R2.674 O=C(C1CCCC1)[C@H]2CCNC2 Amb29889922 [0,0,0,2,0,0|2,0,0]=4 1151 B13R2.674 O=C(C1CCCN1)N2CCCC2 Amb9715514 [0,0,0,2,0,0|2,0,0]=4 1152 B13R2.674 O=C(C1CCCO1)N2CCCC2 Amb6872387 [0,0,0,2,0,0|2,0,0]=4 1153 B13R2.674 O=C(C1CCNC1)N2CCCC2 Amb18949011 [0,0,0,2,0,0|2,0,0]=4 1154 B13R2.674 O=C(C1CCNC1)N2CCCC2 Amb31307797 [0,0,0,2,0,0|2,0,0]=4 1155 B13R2.674 O=C(C1CCOC1)N2CCCC2 Amb28350558 [0,0,0,2,0,0|2,0,0]=4 1156 B13R2.674 O=C(N1CCCC1)N2CCCC2 Amb2778823 [0,0,0,2,0,0|2,0,0]=4 1157 B13R2.674 O=C([C@@H]1CCCN1)N2CCCC2 Amb5784222 [0,0,0,2,0,0|2,0,0]=4 1158 B13R2.674 O=C([C@@H]1CCCO1)N2CCCC2 Amb27593925 [0,0,0,2,0,0|2,0,0]=4 1159 B13R2.674 O=C([C@@H]1CCNC1)N2CCCC2 Amb27836645 [0,0,0,2,0,0|2,0,0]=4 1160 B13R2.674 O=C([C@H]1CCCN1)N2CCCC2 Amb24487334 [0,0,0,2,0,0|2,0,0]=4 1161 B13R2.674 O=C([C@H]1CCNC1)N2CCCC2 Amb24632968 [0,0,0,2,0,0|2,0,0]=4 1162 B13R2.674 O=C([C@H]1CCNC1)N2CCCC2 Amb27607896 [0,0,0,2,0,0|2,0,0]=4 1163 B13R2.677 C1=C(N2CCCC2)CCCCC1 Amb27852797 [0,0,0,2,0,0|2,0,0]=4 1164 B13R2.2452 CNCCN1C(=O)C2CCC1C2 Amb27186729 [0,0,0,2,0,0|2,0,0]=4 1165 B13R2.2452 NCCCN1C(=O)C2CCC1C2 Amb28129631 [0,0,0,2,0,0|2,0,0]=4 1166 B13R2.2452 O=C1C2CCC(C2)N1CCCCl Amb27843967 [0,0,0,2,0,0|2,0,0]=4 1167 B13R2.2452 O=C1C2CCC(C2)N1CCCS Amb27974348 [0,0,0,2,0,0|2,0,0]=4 1168 B13R2.2941 CCN1CCC(=O)C12CCCC2 Amb33167185 [0,0,0,2,0,0|2,0,0]=4 1169 B13R2.2941 COC1CCC(=O)C12CCCC2 Amb27954189 [0,0,0,2,0,0|2,0,0]=4 1170 B13R2.2941 O=C1CCC(CO)C12CCCC2 Amb27954096 [0,0,0,2,0,0|2,0,0]=4 1171 B13R2.2961 CCOC1CC(=O)C12CCCC2 Amb19336269 [0,0,0,2,0,0|2,0,0]=4 1172 B13R2.3040 CC1CCCC(=O)C2CCCC12 Amb27177756 [0,0,0,2,0,0|1,0,0]=3 1173 B13R2.3040 C[C@@H]1CCCC(=O)C2=CCC[C@@H]21 Amb27432591 [0,0,0,2,0,0|1,0,1]=4 1174 B13R2.3047 O=C1NCCCNC2CCCC12 Amb27841423 [0,0,0,2,0,0|2,0,0]=4 1175 B13R2.155 CC1CCC2CCC(=O)C=C2C1 Amb27177831 [0,0,0,2,0,0|1,0,1]=4 1176 B13R2.155 CN1CC[C@@H]2CCC(=O)C[C@@H]2C1 Amb28248091 [0,0,0,2,0,0|2,0,0]=4 1177 B13R2.155 CN1CC[C@@H]2CCC(=O)C[C@H]2C1 Amb28326024 [0,0,0,2,0,0|2,0,0]=4 1178 B13R2.155 CN1CC[C@H]2CCC(=O)C[C@@H]2C1 Amb28195869 [0,0,0,2,0,0|2,0,0]=4 1179 B13R2.155 C[C@H]1CC[C@H]2CCC(=O)C=C2C1 Amb27781989 [0,0,0,2,0,0|1,0,1]=4 1180 B13R2.155 N[C@H]1CC[C@@H]2CNC(=O)C[C@@H]2C1 Amb27640019 [0,0,0,2,0,0|2,0,0]=4 1181 B13R2.155 O=C1CC[C@@H]2CCC(O)CC2N1 Amb27797884 [0,0,0,2,0,0|2,0,0]=4 1182 B13R2.155 O=C1CC[C@H]2CC[C@H](O)C[C@@H]2C1 Amb28253889 [0,0,0,2,0,0|2,0,0]=4 1183 B13R2.155 O=C1CC[C@H]2CC[C@H](O)C[C@H]2C1 Amb28422751 [0,0,0,2,0,0|2,0,0]=4 1184 B13R2.155 O=C1CC[C@H]2COC(=O)C[C@H]2C1 Amb27427840 [0,0,0,2,0,0|1,0,1]=4 1185 B13R2.393 O=C1CCCCC2OC2CCC1 Amb32620332 [0,0,0,2,0,0|2,0,0]=4 1186 B13R2.3038 C[C@@]12CCCCC1C(=O)CCC2 Amb28201020 [0,0,0,2,0,0|1,0,0]=3 1187 B13R2.3038 C[C@@]12CCCC[C@H]1C(=O)CCC2 Amb27629655 [0,0,0,2,0,0|1,0,0]=3 1188 B13R2.3038 C[C@]12CCCC=C1C(=O)CCC2 Amb28253987 [0,0,0,2,0,0|1,0,1]=4 1189 B13R2.3038 C[C@]12CCCC[C@H]1C(=O)CCC2 Amb28132450 [0,0,0,2,0,0|1,0,0]=3 1190 B13R2.3038 O=C1CCCC2(O)CCCCN12 Amb27601513 [0,0,0,2,0,0|2,0,0]=4 1191 B13R2.3038 O=C1CCC[C@@]2(O)CCCC[C@@H]12 Amb28052507 [0,0,0,2,0,0|2,0,0]=4 1192 B13R2.3483 O=C1CCCC2CC(CCC1)C2 Amb27974639 [0,0,0,2,0,0|1,0,0]=3 1193 B13R2.218 O=C1CCCCC2CCCC2C1 Amb28351378 [0,0,0,2,0,0|1,0,0]=3 1194 B13R2.218 O=C1CCCC[C@@H]2CCC[C@@H]2C1 Amb28285836 [0,0,0,2,0,0|1,0,0]=3 1195 B13R2.218 O=C1CCCC[C@@H]2CCC[C@H]2C1 Amb28199945 [0,0,0,2,0,0|1,0,0]=3 1196 B13R2.218 O=C1CCCC[C@@H]2NCC[C@H]2N1 Amb30527616 [0,0,0,2,0,0|2,0,0]=4 1197 B13R2.2377 CCN1C2CCCC1CC(=O)C2 Amb18798931 [0,0,0,2,0,0|2,0,0]=4 1198 B13R2.5011 O=C1CC2CCCC(CCC2)N1 Amb27494164 [0,0,0,2,0,0|1,0,0]=3 1199 B13R2.33 O=C1CC[C@H]2CCCC[C@@H]2OC1 Amb28052365 [0,0,0,2,0,0|2,0,0]=4 1200 B13R2.163 NC1=NCCC2CCCCC2C1 Amb27657800 [0,0,0,2,0,0|2,0,0]=4 1201 B13R2.163 O=C1C=C2CCCCC2CCC1 Amb27177506 [0,0,0,2,0,0|1,0,1]=4 1202 B13R2.163 O=C1CC2CCCCN2CCN1 Amb26316859 [0,0,0,2,0,0|2,0,0]=4 1203 B13R2.163 O=C1CCC[C@@H]2CCCC[C@@H]2C1 Amb28457521 [0,0,0,2,0,0|1,0,0]=3 1204 B13R2.163 O=C1CCC[C@@H]2CCCC[C@H]2N1 Amb27220587 [0,0,0,2,0,0|1,0,0]=3 1205 B13R2.163 O=C1CCC[C@@H]2CCNC[C@H]2N1 Amb18826477 [0,0,0,2,0,0|2,0,0]=4 1206 B13R2.163 O=C1CCC[C@@H]2CNCC[C@H]2N1 Amb18826481 [0,0,0,2,0,0|2,0,0]=4 1207 B13R2.163 O=C1CCSC2CCCCC2N1 Amb28364400 [0,0,0,2,0,0|2,0,0]=4 1208 B13R2.163 O=C1COC[C@@H]2CCCC[C@@H]2N1 Amb27662094 [0,0,0,2,0,0|2,0,0]=4 1209 B13R2.163 O=C1COC[C@H]2CCCC[C@@H]2N1 Amb27790258 [0,0,0,2,0,0|2,0,0]=4 1210 B13R2.163 O=C1NCC[C@@H]2CCCC[C@H]2O1 Amb32992735 [0,0,0,2,0,0|1,0,0]=3 1211 B13R2.163 S=C1CCCC2CCCCC2N1 Amb28240524 [0,0,0,2,0,0|1,1,0]=4 1212 B13R2.210 O=C1CCC[C@@H]2CCC[C@@H]2CC1 Amb27854965 [0,0,0,2,0,0|1,0,0]=3 1213 B13R2.3672 O=C1CCC2CCCCCCC12 Amb28202072 [0,0,0,2,0,0|1,0,0]=3 1214 B13R2.3672 O=C1OCC2=C1CCCCCC2 Amb28255592 [0,0,0,2,0,0|0,0,2]=4 1215 B13R2.4688 NC1=NC2CCCCCCC2O1 Amb27214155 [0,0,0,2,0,0|2,0,0]=4 1216 B13R2.4688 O=C1C=C2CCCCCCC2C1 Amb27175871 [0,0,0,2,0,0|1,0,1]=4 1217 B13R2.4688 O=C1CC2CCCCCCC2C1 Amb28351616 [0,0,0,2,0,0|1,0,0]=3 1218 B13R2.4688 O=C1CC2CCCCCCC2N1 Amb28340979 [0,0,0,2,0,0|1,0,0]=3 1219 B13R2.4688 O=C1N[C@H]2CCCCCC[C@H]2O1 Amb27201637 [0,0,0,2,0,0|1,0,0]=3 1220 B13R2.4688 OC1C[C@H]2CCCCCC[C@@H]2O1 Amb27423114 [0,0,0,2,0,0|0,0,2]=4 1221 B13R2.4787 O=C1C[C@H]2CCCCCCC[C@H]12 Amb27433087 [0,0,0,2,0,0|1,0,0]=3 1222 B13R2.4787 O=C1NC2CCCCCCCC12 Amb27646369 [0,0,0,2,0,0|1,0,0]=3 1223 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@@H]12 Amb27983514 [0,0,0,2,0,0|1,0,0]=3 1224 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@H]12 Amb27841212 [0,0,0,2,0,0|1,0,0]=3 1225 B13R2.5226 O=C1CCCCCCC[C@H]2C[C@@H]12 Amb27640532 [0,0,0,2,0,0|1,0,0]=3 1226 B13R2.66 CCC1CCC(=O)CC1C2CC2 Amb32865455 [0,0,0,2,0,0|1,0,0]=3 1227 B13R2.66 O=C1CC(C2CC2)C(CO)CN1 Amb27438565 [0,0,0,2,0,0|2,0,0]=4 1228 B13R2.66 O=C1CC[C@H](CO)[C@@H](C2CC2)N1 Amb28247245 [0,0,0,2,0,0|2,0,0]=4 1229 B13R2.2136 O=C1CC[C@H]2CC[C@H](CO)[C@H]2O1 Amb28130415 [0,0,0,2,0,0|1,0,0]=3 1230 B13R2.5190 CC1C(=O)CC2CC(=O)OCC21 Amb28461135 [0,0,0,2,0,0|1,0,1]=4 1231 B13R2.5190 CC1C(O)CC2CC(=O)OCC21 Amb27667037 [0,0,0,2,0,0|1,0,0]=3 1232 B13R2.5190 C[C@@H]1C2COC(=O)CC2C[C@@H]1O Amb27635302 [0,0,0,2,0,0|1,0,0]=3 1233 B13R2.5190 C[C@@H]1[C@H](O)C[C@H]2CC(=O)OC[C@H]21 Amb23603910 [0,0,0,2,0,0|1,0,0]=3 1234 B13R2.5190 C[C@H]1[C@@H](O)C[C@H]2CC(=O)OC[C@@H]21 Amb27472682 [0,0,0,2,0,0|1,0,0]=3 1235 B13R2.7230 CC[C@]12CCCC1=CC(=O)CC2 Amb28202136 [0,0,0,2,0,0|1,0,1]=4 1236 B13R2.7230 O=C1CCC2(CO)CCCC2N1 Amb27463451 [0,0,0,2,0,0|2,0,0]=4 1237 B13R2.7368 O=C1CC2C(Cl)CC(O1)C2CO Amb28321222 [0,0,0,2,0,0|2,0,0]=4 1238 B13R2.581 CCC1CCCC2=CC(=O)CC21 Amb27802678 [0,0,0,2,0,0|1,0,1]=4 1239 B13R2.581 CCC1CCCC2CC(=O)CN12 Amb27599401 [0,0,0,2,0,0|2,0,0]=4 1240 B13R2.2891 O=C1C[C@@H]2C(CO)[C@H](O)C[C@@H]2O1 Amb27775478 [0,0,0,2,0,0|2,0,0]=4 1241 B13R2.2891 O=C1C[C@@H]2[C@@H](C[C@H](O)[C@H]2CO)O1 Amb22338804 [0,0,0,2,0,0|2,0,0]=4 1242 B13R2.2891 O=C1C[C@@H]2[C@H](C[C@@H](O)[C@@H]2CO)O1 Amb31206961 [0,0,0,2,0,0|2,0,0]=4 1243 B13R2.2891 O=C1C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2O1 Amb28400737 [0,0,0,2,0,0|2,0,0]=4 1244 B13R2.2891 O=C1C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2O1 Amb27423643 [0,0,0,2,0,0|2,0,0]=4 1245 B13R2.2891 O=C1C[C@H]2[C@@H](C[C@H](O)[C@H]2CO)O1 Amb24652784 [0,0,0,2,0,0|2,0,0]=4 1246 B13R2.2891 O=C1C[C@H]2[C@H](C[C@@H](O)[C@@H]2CO)O1 Amb2719622 [0,0,0,2,0,0|2,0,0]=4 1247 B13R2.2891 O=C1C[C@H]2[C@H](C[C@@H](O)[C@H]2CO)O1 Amb27448493 [0,0,0,2,0,0|2,0,0]=4 1248 B13R2.2891 O=C1C[C@H]2[C@H](C[C@H](F)[C@@H]2CO)O1 Amb27420135 [0,0,0,2,0,0|2,0,0]=4 1249 B13R2.4576 O=C1C[C@H](CCO)[C@@H](C2CC2)N1 Amb27192485 [0,0,0,2,0,0|2,0,0]=4 1250 B13R2.54 CCC1CC2CCCC(=O)C2C1 Amb28144101 [0,0,0,2,0,0|1,0,0]=3 1251 B13R2.54 CC[C@H]1C[C@@H]2CCCC(=O)[C@H]2C1 Amb27428254 [0,0,0,2,0,0|1,0,0]=3 1252 B13R2.669 NCC1CCC2CCC(=O)N2C1 Amb27171793 [0,0,0,2,0,0|2,0,0]=4 1253 B13R2.10201 CN1C2CCCC1CC(=O)NC2 Amb25793596 [0,0,0,2,0,0|2,0,0]=4 1254 B13R2.10201 CN1C2CCC[C@@H]1CNC(=O)C2 Amb28384777 [0,0,0,2,0,0|2,0,0]=4 1255 B13R2.10201 CN1[C@H]2CCC[C@@H]1CC(=O)NC2 Amb28197191 [0,0,0,2,0,0|2,0,0]=4 1256 B13R2.1401 CCC1CC1C(=O)NC2CC2N Amb28286198 [0,0,0,2,0,0|2,0,0]=4 1257 B13R2.6115 CC[C@@H]1C[C@H]1C(=O)NC2CNC2 Amb27860516 [0,0,0,2,0,0|2,0,0]=4 1258 B13R2.3408 CC1CC1CC(=O)NC2CC2C Amb27827195 [0,0,0,2,0,0|1,0,0]=3 1259 B13R2.3408 CC1CC1NC(=O)N[C@@H]2C[C@H]2C Amb27843255 [0,0,0,2,0,0|2,0,0]=4 1260 B13R2.3460 CC1CC1NC(=O)NCC2CC2 Amb27456123 [0,0,0,2,0,0|2,0,0]=4 1261 B13R2.5382 CC1CCN1C(=O)N[C@@H]2C[C@H]2C Amb28132120 [0,0,0,2,0,0|2,0,0]=4 1262 B13R2.10999 CC1CC1NC(=O)CC2COC2 Amb27414384 [0,0,0,2,0,0|2,0,0]=4 1263 B13R2.10999 CC1CC1NC(=O)CN2CCC2 Amb27761327 [0,0,0,2,0,0|2,0,0]=4 1264 B13R2.10999 C[C@@H]1C[C@H]1NC(=O)NC2CCC2 Amb27650740 [0,0,0,2,0,0|2,0,0]=4 1265 B13R2.14237 O=C(C=C1CCC1)OC2CCC2 Amb27857395 [0,0,0,2,0,0|0,0,2]=4 1266 B13R2.14237 O=C(CC1CCC1)NC2CNC2 Amb27587436 [0,0,0,2,0,0|2,0,0]=4 1267 B13R2.14237 O=C(CC1CNC1)NC2CCC2 Amb24475469 [0,0,0,2,0,0|2,0,0]=4 1268 B13R2.14237 O=C(NC1CCC1)NC2CCC2 Amb28194519 [0,0,0,2,0,0|2,0,0]=4 1269 B13R2.14237 O=C(NC1CNC1)OC2CCC2 Amb28282861 [0,0,0,2,0,0|2,0,0]=4 1270 B13R2.5180 CC1C(O)CCN2C(=O)CCC12 Amb27416768 [0,0,0,2,0,0|2,0,0]=4 1271 B13R2.5180 C[C@@H]1C(O)CCN2C(=O)CC[C@@H]12 Amb27443558 [0,0,0,2,0,0|2,0,0]=4 1272 B13R2.10232 C[C@@H]1CCC2C(=O)CCCC21O Amb27178043 [0,0,0,2,0,0|2,0,0]=4 1273 B13R2.10232 C[C@H]1CC[C@@H]2C(=O)CCC[C@]12C Amb27428025 [0,0,0,2,0,0|1,0,0]=3 1274 B13R2.8001 C1CCC2(CC1)OCCCCO2 Amb27843486 [0,0,0,2,0,0|0,0,2]=4