0 B11R0.3 BrCCCCCCCCCCBr Amb2721556 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C#CCCCCCCCCCC Amb2721432 [0,0,0,0,0,0|1,0,1]=2 2 B11R0.3 C=CCCCCCCCCC=O Amb8513533 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.3 C=CCCCCCCCCCBr Amb2691196 [0,0,0,0,0,0|2,0,0]=2 4 B11R0.3 C=CCCCCCCCCCC Amb3940486 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.3 C=CCCCCCCCCCCl Amb2721562 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.3 C=CCCCCCCCCCN Amb2721533 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.3 C=CCCCCCCCCCO Amb2721673 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.3 CCCCCCCCCCCBr Amb8514664 [0,0,0,0,0,0|1,0,1]=2 9 B11R0.3 CCCCCCCCCCCC Amb8513157 [0,0,0,0,0,0|1,0,1]=2 10 B11R0.3 CCCCCCCCCCCCl Amb9787117 [0,0,0,0,0,0|1,0,1]=2 11 B11R0.3 CCCCCCCCCCCN Amb3941511 [0,0,0,0,0,0|1,0,1]=2 12 B11R0.3 CCCCCCCCCCCO Amb6646062 [0,0,0,0,0,0|0,0,2]=2 13 B11R0.3 CCCCCCCCCCNC Amb33934687 [0,0,0,0,0,0|2,0,0]=2 14 B11R0.3 CCCCCCCCCCNC Amb9787067 [0,0,0,0,0,0|2,0,0]=2 15 B11R0.3 CCCCCCCCCN=C=S Amb2689944 [0,0,0,0,0,0|1,1,1]=3 16 B11R0.3 CCCCCCCCCN=[N+]=[N-] Amb18633019 [0,0,0,0,0,0|3,0,0]=3 17 B11R0.3 CCCCCCCCCNCC Amb7761767 [0,0,0,0,0,0|2,0,1]=3 18 B11R0.3 CCCCCCCCNCCN Amb18794624 [0,0,0,0,0,0|2,0,1]=3 19 B11R0.3 CCCCCCCCNCCN Amb22358941 [0,0,0,0,0,0|2,0,1]=3 20 B11R0.3 CCCCCCCCNCCO Amb7757629 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.3 CCCCCCCCOCCN Amb7790956 [0,0,0,0,0,0|2,0,1]=3 22 B11R0.3 CCCCCCCCOCCO Amb9787110 [0,0,0,0,0,0|1,0,2]=3 23 B11R0.3 CCCCCCCCSCCN Amb7794933 [0,0,0,0,0,0|2,0,1]=3 24 B11R0.3 CCCCCCCCSCCO Amb33531593 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.3 CCCCCCCCSCCS Amb9787630 [0,0,0,0,0,0|1,1,1]=3 26 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [0,0,0,0,0,0|0,0,2]=2 27 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [0,0,0,0,0,0|0,0,4]=4 28 B11R0.3 CCCCCCCNCCCC Amb4313708 [0,0,0,0,0,0|2,0,1]=3 29 B11R0.3 CCCCCCCNCCCN Amb18794637 [0,0,0,0,0,0|2,0,1]=3 30 B11R0.3 CCCCCCCNCCCO Amb4304117 [0,0,0,0,0,0|1,0,2]=3 31 B11R0.3 CCCCCCNCCCCC Amb6656070 [0,0,0,0,0,0|2,0,1]=3 32 B11R0.3 CCCCCCNCCCOC Amb7760836 [0,0,0,0,0,0|3,0,0]=3 33 B11R0.3 CCCCCSCCOCCN Amb17501985 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.3 CCCCNCCCCCOC Amb33133268 [0,0,0,0,0,0|3,0,0]=3 35 B11R0.3 CCCCNCCNCCCC Amb20214589 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.3 CCCCOCCOCCCC Amb22168138 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.3 CCCCOCCOCCOC Amb24059881 [0,0,0,0,0,0|4,0,0]=4 38 B11R0.3 CCCCSCCSCCCC Amb9787613 [0,0,0,0,0,0|3,0,1]=4 39 B11R0.3 CCCC\C=C\CCCCCC Amb22546624 [0,0,0,0,0,0|1,0,3]=4 40 B11R0.3 CCCNCCCOCCOC Amb6734665 [0,0,0,0,0,0|4,0,0]=4 41 B11R0.3 CCCSCCCCSCCC Amb22366042 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.3 CCNCCCCCCNCC Amb22733571 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.3 CCOCCOCCOCC=O Amb32669837 [0,0,0,0,0,0|3,0,0]=3 44 B11R0.3 CCSCCCCCCSCC Amb9786285 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.3 COCCCCCNCCOC Amb18804450 [0,0,0,0,0,0|4,0,0]=4 46 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [0,0,0,0,0,0|2,0,1]=3 47 B11R0.3 ClCCCCCCCCCCCl Amb8514864 [0,0,0,0,0,0|2,0,1]=3 48 B11R0.3 FCCCCCCCCCCF Amb33756851 [0,0,0,0,0,0|2,0,1]=3 49 B11R0.3 ICCCCCCCCCCI Amb10071532 [0,0,0,0,0,0|2,0,1]=3 50 B11R0.3 N#CCCCCCCCCC#N Amb8516779 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.3 NCCCCCCCCCCN Amb33446968 [0,0,0,0,0,0|2,0,1]=3 52 B11R0.3 NCCCCCCCCCCN Amb798005 [0,0,0,0,0,0|2,0,1]=3 53 B11R0.3 NCCCCCCCCCCO Amb17607975 [0,0,0,0,0,0|1,0,2]=3 54 B11R0.3 NNCCCCCCCCNN Amb33339064 [0,0,0,0,0,0|4,0,0]=4 55 B11R0.3 NNCCCCCCCCNN Amb33465519 [0,0,0,0,0,0|4,0,0]=4 56 B11R0.3 NOCCCCCCCCON Amb33465512 [0,0,0,0,0,0|4,0,0]=4 57 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [0,0,0,0,0,0|1,0,0]=1 58 B11R0.3 OCCCCCCCCCCBr Amb2694963 [0,0,0,0,0,0|1,0,2]=3 59 B11R0.3 OCCCCCCCCCCCl Amb10844747 [0,0,0,0,0,0|1,0,2]=3 60 B11R0.3 OCCCCCCCCCCO Amb2721538 [0,0,0,0,0,0|1,0,2]=3 61 B11R0.3 [N-]=[N+]=NCCCCCCCCN Amb34913577 [0,0,0,0,0,0|4,0,0]=4 62 B11R0.3 [N-]=[N+]=NCCCCCCCCN Amb34913580 [0,0,0,0,0,0|4,0,0]=4 63 B11R0.3 [N-]=[N+]=NCCCCCCCCO Amb34913576 [0,0,0,0,0,0|4,0,0]=4 64 B10R0.71 BrCCCCCCCCCBr Amb8513101 [1,0,0,0,0,0|2,0,0]=3 65 B10R0.71 BrCCCCOCCCCBr Amb24064682 [1,0,0,0,0,0|3,0,0]=4 66 B10R0.71 C#CCCCCCCCCO Amb16231465 [1,0,0,0,0,0|0,0,3]=4 67 B10R0.71 C=CCCCCCCCC=O Amb22734770 [1,0,0,0,0,0|0,0,2]=3 68 B10R0.71 C=CCCCCCCCCBr Amb9786895 [1,0,0,0,0,0|1,0,1]=3 69 B10R0.71 C=CCCCCCCCCN Amb28652858 [1,0,0,0,0,0|1,0,1]=3 70 B10R0.71 C=CCCCCCCCCN Amb32653011 [1,0,0,0,0,0|1,0,1]=3 71 B10R0.71 C=CCCCCCCCCO Amb6364973 [1,0,0,0,0,0|1,0,1]=3 72 B10R0.71 CCC#CCCCCCCCl Amb22052713 [1,0,0,0,0,0|1,0,2]=4 73 B10R0.71 CCCCC#CCCNC=O Amb27272587 [1,0,0,0,0,0|1,0,2]=4 74 B10R0.71 CCCCCCCC#CCO Amb17774678 [1,0,0,0,0,0|0,0,3]=4 75 B10R0.71 CCCCCCCCCC=O Amb3940437 [1,0,0,0,0,0|0,0,0]=1 76 B10R0.71 CCCCCCCCCCBr Amb2721517 [1,0,0,0,0,0|1,0,0]=2 77 B10R0.71 CCCCCCCCCCCl Amb8513081 [1,0,0,0,0,0|1,0,0]=2 78 B10R0.71 CCCCCCCCCCF Amb2688085 [1,0,0,0,0,0|1,0,0]=2 79 B10R0.71 CCCCCCCCCCI Amb3940280 [1,0,0,0,0,0|1,0,0]=2 80 B10R0.71 CCCCCCCCCCN Amb3940460 [1,0,0,0,0,0|1,0,0]=2 81 B10R0.71 CCCCCCCCCCO Amb3940390 [1,0,0,0,0,0|0,0,1]=2 82 B10R0.71 CCCCCCCCCCS Amb9787174 [1,0,0,0,0,0|0,1,0]=2 83 B10R0.71 CCCCCCCCCNC Amb10609826 [1,0,0,0,0,0|1,0,1]=3 84 B10R0.71 CCCCCCCCCNC Amb7761761 [1,0,0,0,0,0|1,0,1]=3 85 B10R0.71 CCCCCCCCN=C=O Amb3940552 [1,0,0,0,0,0|1,0,1]=3 86 B10R0.71 CCCCCCCCN=C=S Amb6572519 [1,0,0,0,0,0|1,1,1]=4 87 B10R0.71 CCCCCCCCNC=O Amb9787543 [1,0,0,0,0,0|1,0,0]=2 88 B10R0.71 CCCCCCCCOCC Amb9787535 [1,0,0,0,0,0|1,0,1]=3 89 B10R0.71 CCCCCCCCOCCl Amb22230404 [1,0,0,0,0,0|2,0,0]=3 90 B10R0.71 CCCCCCCCSCC Amb17672979 [1,0,0,0,0,0|1,0,1]=3 91 B10R0.71 CCCCCCCNCCC Amb4313521 [1,0,0,0,0,0|1,0,1]=3 92 B10R0.71 CCCCCCCNCCO Amb7809068 [1,0,0,0,0,0|1,0,1]=3 93 B10R0.71 CCCCCCCOCCO Amb8515986 [1,0,0,0,0,0|1,0,1]=3 94 B10R0.71 CCCCCCCSCCN Amb7794934 [1,0,0,0,0,0|2,0,0]=3 95 B10R0.71 CCCCCCCSCCO Amb7968786 [1,0,0,0,0,0|1,0,1]=3 96 B10R0.71 CCCCCCC\C=C\C=O Amb8517160 [1,0,0,0,0,0|0,0,2]=3 97 B10R0.71 CCCCCCNCCC#N Amb2688717 [1,0,0,0,0,0|2,0,1]=4 98 B10R0.71 CCCCCCNCCCC Amb6730566 [1,0,0,0,0,0|1,0,1]=3 99 B10R0.71 CCCCCCNCCCN Amb17315272 [1,0,0,0,0,0|2,0,0]=3 100 B10R0.71 CCCCCCNCCCO Amb7758124 [1,0,0,0,0,0|1,0,1]=3 101 B10R0.71 CCCCCCNCCOC Amb7760715 [1,0,0,0,0,0|2,0,1]=4 102 B10R0.71 CCCCCCOCCC#N Amb7792025 [1,0,0,0,0,0|2,0,1]=4 103 B10R0.71 CCCCCCOCCCN Amb7764734 [1,0,0,0,0,0|2,0,0]=3 104 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,0,0,0,0|0,0,3]=4 105 B10R0.71 CCCCCNCCCCC Amb3941371 [1,0,0,0,0,0|1,0,1]=3 106 B10R0.71 CCCCCNCCCOC Amb6730381 [1,0,0,0,0,0|2,0,1]=4 107 B10R0.71 CCCCCSCCCCC Amb4020127 [1,0,0,0,0,0|1,0,1]=3 108 B10R0.71 CCCCCSCCCCN Amb17500943 [1,0,0,0,0,0|2,0,0]=3 109 B10R0.71 CCCCC\C=C\CCC=O Amb33512982 [1,0,0,0,0,0|0,0,2]=3 110 B10R0.71 CCCCNCCNCCO Amb32454894 [1,0,0,0,0,0|2,0,1]=4 111 B10R0.71 CCCCNCCOCCO Amb6736236 [1,0,0,0,0,0|2,0,1]=4 112 B10R0.71 CCCCOCCOCCCl Amb8828497 [1,0,0,0,0,0|3,0,0]=4 113 B10R0.71 CCCCOCCOCCN Amb7790849 [1,0,0,0,0,0|3,0,0]=4 114 B10R0.71 CCCCOCCOCCO Amb8513428 [1,0,0,0,0,0|2,0,1]=4 115 B10R0.71 CCCCOCCSCCO Amb9787502 [1,0,0,0,0,0|2,0,1]=4 116 B10R0.71 CCCCSCCOCCN Amb17501984 [1,0,0,0,0,0|3,0,0]=4 117 B10R0.71 CCCCSCCOCCO Amb9786123 [1,0,0,0,0,0|2,0,1]=4 118 B10R0.71 CCCNCCCCCOC Amb18797681 [1,0,0,0,0,0|2,0,1]=4 119 B10R0.71 CCNCCCNCCCO Amb20171980 [1,0,0,0,0,0|2,0,1]=4 120 B10R0.71 CCOCCCNCCCN Amb17315298 [1,0,0,0,0,0|3,0,0]=4 121 B10R0.71 COCCCOCCCCBr Amb32688353 [1,0,0,0,0,0|3,0,0]=4 122 B10R0.71 COCCCOCCCCCl Amb18184963 [1,0,0,0,0,0|3,0,0]=4 123 B10R0.71 COCCOCCCCCBr Amb32688356 [1,0,0,0,0,0|3,0,0]=4 124 B10R0.71 COCCOCCCCCCl Amb9001656 [1,0,0,0,0,0|3,0,0]=4 125 B10R0.71 COCCOCCOCC=O Amb32668382 [1,0,0,0,0,0|3,0,0]=4 126 B10R0.71 COCOCCCCCCCl Amb22641573 [1,0,0,0,0,0|3,0,0]=4 127 B10R0.71 ClCCCCCCCCCCl Amb8513111 [1,0,0,0,0,0|2,0,0]=3 128 B10R0.71 ClCCCCOCCCCCl Amb2700588 [1,0,0,0,0,0|3,0,0]=4 129 B10R0.71 ICCCCCCCCCI Amb20242392 [1,0,0,0,0,0|2,0,0]=3 130 B10R0.71 N#CCCCCCCCCO Amb22641582 [1,0,0,0,0,0|1,0,2]=4 131 B10R0.71 NCCCCCCCCCN Amb8513818 [1,0,0,0,0,0|2,0,0]=3 132 B10R0.71 NCCCCCCCCCO Amb34183942 [1,0,0,0,0,0|1,0,1]=3 133 B10R0.71 NCCCCNCCCCN Amb31031073 [1,0,0,0,0,0|3,0,0]=4 134 B10R0.71 OCCCCCCCCCBr Amb2694968 [1,0,0,0,0,0|1,0,1]=3 135 B10R0.71 OCCCCCCCCCI Amb32410519 [1,0,0,0,0,0|1,0,1]=3 136 B10R0.71 OCCCCCCCCCO Amb2721246 [1,0,0,0,0,0|1,0,1]=3 137 B10R0.71 OCCCCNCCCCO Amb21858890 [1,0,0,0,0,0|2,0,1]=4 138 B10R0.71 OCCCCOCCCCCl Amb32663942 [1,0,0,0,0,0|2,0,1]=4 139 B10R0.71 OCCOCCCCCCCl Amb33719365 [1,0,0,0,0,0|2,0,1]=4 140 B10R0.71 SCCCCCCCCCS Amb8513270 [1,0,0,0,0,0|1,1,0]=3 141 B12R0.1 C=CCCCCCCC(=O)OCC Amb6298913 [0,1,0,0,0,0|2,0,1]=4 142 B12R0.1 CCCCCCCCC(O)CCC Amb9787107 [0,1,0,0,0,0|1,0,1]=3 143 B12R0.5 BrCCCCCCCCCCCBr Amb8514480 [0,1,0,0,0,0|1,0,1]=3 144 B12R0.5 C#CCCCCCCCCCCO Amb10602413 [0,1,0,0,0,0|1,0,1]=3 145 B12R0.5 C=CCCCCCCCCCCC Amb2721661 [0,1,0,0,0,0|1,0,0]=2 146 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [0,1,0,0,0,0|1,0,0]=2 147 B12R0.5 C=CCNCCCCCCCCC Amb7761762 [0,1,0,0,0,0|1,0,0]=2 148 B12R0.5 CCCCC#CCCCCCCCl Amb16232464 [0,1,0,0,0,0|1,0,2]=4 149 B12R0.5 CCCCCCCCCC#CCO Amb2609119 [0,1,0,0,0,0|0,0,3]=4 150 B12R0.5 CCCCCCCCCCCC#N Amb8384531 [0,1,0,0,0,0|1,0,1]=3 151 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [0,1,0,0,0,0|0,0,0]=1 152 B12R0.5 CCCCCCCCCCCCBr Amb6891945 [0,1,0,0,0,0|1,0,1]=3 153 B12R0.5 CCCCCCCCCCCCC Amb29471649 [0,1,0,0,0,0|1,0,1]=3 154 B12R0.5 CCCCCCCCCCCCC Amb8513362 [0,1,0,0,0,0|1,0,1]=3 155 B12R0.5 CCCCCCCCCCCCCl Amb4008392 [0,1,0,0,0,0|1,0,1]=3 156 B12R0.5 CCCCCCCCCCCCI Amb3940281 [0,1,0,0,0,0|1,0,1]=3 157 B12R0.5 CCCCCCCCCCCCN Amb3940463 [0,1,0,0,0,0|1,0,1]=3 158 B12R0.5 CCCCCCCCCCCCO Amb2721434 [0,1,0,0,0,0|0,0,2]=3 159 B12R0.5 CCCCCCCCCCCC[NH3+] Amb22049481 [0,1,0,0,0,0|1,0,1]=3 160 B12R0.5 CCCCCCCCCCCNC Amb32676722 [0,1,0,0,0,0|1,0,1]=3 161 B12R0.5 CCCCCCCCCCCNC Amb9787074 [0,1,0,0,0,0|1,0,1]=3 162 B12R0.5 CCCCCCCCCCN=C=S Amb2686679 [0,1,0,0,0,0|0,1,1]=3 163 B12R0.5 CCCCCCCCCCN=[N+]=[N-] Amb17939439 [0,1,0,0,0,0|2,0,0]=3 164 B12R0.5 CCCCCCCCCNCCC Amb7794670 [0,1,0,0,0,0|1,0,1]=3 165 B12R0.5 CCCCCCCCCSCCN Amb7794936 [0,1,0,0,0,0|1,0,1]=3 166 B12R0.5 CCCCCCCCCSCCO Amb7968787 [0,1,0,0,0,0|0,0,2]=3 167 B12R0.5 CCCCCCCCNCCC#N Amb2689969 [0,1,0,0,0,0|1,0,1]=3 168 B12R0.5 CCCCCCCCNCCCN Amb19058864 [0,1,0,0,0,0|1,0,1]=3 169 B12R0.5 CCCCCCCCNCCNC Amb2691994 [0,1,0,0,0,0|2,0,0]=3 170 B12R0.5 CCCCCCCCOCCCN Amb13951369 [0,1,0,0,0,0|1,0,1]=3 171 B12R0.5 CCCCCCCCOCCCN Amb7764731 [0,1,0,0,0,0|1,0,1]=3 172 B12R0.5 CCCCCCCNCCCCC Amb7761456 [0,1,0,0,0,0|1,0,1]=3 173 B12R0.5 CCCCCCC\C=C\C=C\C=O Amb22045171 [0,1,0,0,0,0|0,0,3]=4 174 B12R0.5 CCCCCCNCCCCCC Amb3938960 [0,1,0,0,0,0|1,0,1]=3 175 B12R0.5 CCCCCCOCCCCCC Amb9787554 [0,1,0,0,0,0|1,0,1]=3 176 B12R0.5 CCCCCCOCCOCCO Amb9787187 [0,1,0,0,0,0|1,0,2]=4 177 B12R0.5 CCCCCCSCCCCCC Amb8513185 [0,1,0,0,0,0|1,0,1]=3 178 B12R0.5 CCCCC\C=C/CC\C=C\C=O Amb22348277 [0,1,0,0,0,0|0,0,3]=4 179 B12R0.5 CCCCOCCOCCCCN Amb9208521 [0,1,0,0,0,0|2,0,1]=4 180 B12R0.5 CCCC\C=C\CCCCCCO Amb33513191 [0,1,0,0,0,0|0,0,3]=4 181 B12R0.5 CCOCCCCCCCCCBr Amb33719481 [0,1,0,0,0,0|1,0,1]=3 182 B12R0.5 CCOCCCCCCCCCO Amb22233218 [0,1,0,0,0,0|0,0,2]=3 183 B12R0.5 COCCCCCNCCCOC Amb33133269 [0,1,0,0,0,0|3,0,0]=4 184 B12R0.5 NCCCCCCCCCCCN Amb16233911 [0,1,0,0,0,0|1,0,1]=3 185 B12R0.5 NCCCCCCCCCCCO Amb26304136 [0,1,0,0,0,0|0,0,2]=3 186 B12R0.5 NCCCCCCCCCCCO Amb30988059 [0,1,0,0,0,0|0,0,2]=3 187 B12R0.5 NCCCCCCCCCCCS Amb22336989 [0,1,0,0,0,0|0,1,1]=3 188 B12R0.5 NOCCCCCCCCCON Amb33483168 [0,1,0,0,0,0|3,0,0]=4 189 B12R0.5 OCCCCCCCCCCCBr Amb3372065 [0,1,0,0,0,0|0,0,2]=3 190 B12R0.5 OCCCCCCCCCCCO Amb15692712 [0,1,0,0,0,0|0,0,2]=3 191 B12R0.5 OCCCCCCCCCCCS Amb8396653 [0,1,0,0,0,0|0,0,2]=3 192 B12R0.5 [N-]=[N+]=NCCCCCCCCCN Amb34913617 [0,1,0,0,0,0|3,0,0]=4 193 B12R0.5 [N-]=[N+]=NCCCCCCCCCN Amb34913619 [0,1,0,0,0,0|3,0,0]=4 194 B12R0.5 [N-]=[N+]=NCCCCCCCCCO Amb34913618 [0,1,0,0,0,0|3,0,0]=4 195 B12R0.47 CCCCCCC(C)NCCCO Amb7761294 [0,1,0,0,0,0|1,0,2]=4 196 B12R0.47 CCCCCCC(O)CCCCC Amb9787109 [0,1,0,0,0,0|1,0,1]=3 197 B12R0.206 CCCCCCCC(=O)CCCC Amb6366430 [0,1,0,0,0,0|1,0,2]=4 198 B12R0.206 CCCCCCCC(C)NCCO Amb7809070 [0,1,0,0,0,0|1,0,2]=4 199 B12R0.206 CCCCCCNC(C)CCCO Amb33363358 [0,1,0,0,0,0|1,0,2]=4 200 B12R0.206 CCCCN(C)CCCCCCN Amb5357899 [0,1,0,0,0,0|2,0,1]=4 201 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [0,1,0,0,0,0|0,0,2]=3 202 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [0,1,0,0,0,0|1,0,0]=2 203 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [0,1,0,0,0,0|1,0,0]=2 204 B12R0.234 C=CCCCCCCCCC(=O)Cl Amb2721637 [0,1,0,0,0,0|0,0,2]=3 205 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [0,1,0,0,0,0|0,0,2]=3 206 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [0,1,0,0,0,0|0,0,2]=3 207 B12R0.234 CC(=O)NCCCNCCCCN Amb22641893 [0,1,0,0,0,0|3,0,0]=4 208 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,1,0,0,0,0|2,0,0]=3 209 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [0,1,0,0,0,0|1,0,1]=3 210 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [0,1,0,0,0,0|0,0,0]=1 211 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [0,1,0,0,0,0|0,0,0]=1 212 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [0,1,0,0,0,0|0,0,0]=1 213 B12R0.234 CCCCCCCCCCC(C)N Amb8869702 [0,1,0,0,0,0|1,0,1]=3 214 B12R0.234 CCCCCCCCCCN(C)C Amb9787202 [0,1,0,0,0,0|2,0,0]=3 215 B12R0.234 CCCCCCCCCOC(=S)[S-] Amb534232 [0,1,0,0,0,0|1,1,0]=3 216 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [0,1,0,0,0,0|1,0,0]=2 217 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [0,1,0,0,0,0|1,0,0]=2 218 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [0,1,0,0,0,0|0,0,2]=3 219 B12R0.234 CCOCCOCCCCC(=O)O Amb9207787 [0,1,0,0,0,0|2,0,0]=3 220 B12R0.234 COCCOCCOCCC(=O)O Amb16184341 [0,1,0,0,0,0|3,0,0]=4 221 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [0,1,0,0,0,0|1,0,1]=3 222 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,1,0,0,0,0|1,0,0]=2 223 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [0,1,0,0,0,0|1,0,0]=2 224 B12R0.234 NCCOCCSCCCC(=O)O Amb17502011 [0,1,0,0,0,0|3,0,0]=4 225 B12R0.234 O=C(O)CCCCCCCC#CBr Amb32422815 [0,1,0,0,0,0|1,0,2]=4 226 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [0,1,0,0,0,0|1,0,0]=2 227 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [0,1,0,0,0,0|1,0,0]=2 228 B12R0.234 O=C(O)CCCCCCCN=C=S Amb33471542 [0,1,0,0,0,0|2,0,1]=4 229 B12R0.234 O=C(O)\C=C\CCCCCCCO Amb33757093 [0,1,0,0,0,0|1,0,2]=4 230 B12R0.234 O=C=NCCCCCCCC(=O)O Amb32665820 [0,1,0,0,0,0|2,0,1]=4 231 B12R0.234 [N-]=[N+]=NCCCCCCCC(=O)O Amb34932690 [0,1,0,0,0,0|3,0,0]=4 232 B12R0.248 C=CC(=O)NCCCCCCCC Amb28556071 [0,1,0,0,0,0|2,0,1]=4 233 B12R0.248 C=CC(=O)OCCCCCCCC Amb2778626 [0,1,0,0,0,0|2,0,1]=4 234 B12R0.248 C=CCCCCCCCC(=O)OC Amb533244 [0,1,0,0,0,0|2,0,1]=4 235 B12R0.248 CCCCCCCCCC(=O)NN Amb6530432 [0,1,0,0,0,0|2,0,1]=4 236 B12R0.248 CCCCCCCCCC(=O)NO Amb33548521 [0,1,0,0,0,0|1,0,2]=4 237 B12R0.248 CCCCCCCCCC(=O)OC Amb4378003 [0,1,0,0,0,0|2,0,1]=4 238 B12R0.248 CCCCCCCCCC(C)C=O Amb3940427 [0,1,0,0,0,0|0,0,0]=1 239 B12R0.248 COC(=O)CCCCCCCC=O Amb8391799 [0,1,0,0,0,0|1,0,1]=3 240 B12R1.8 BrCCCCCN1CCCCC1 Amb33624633 [0,0,0,1,0,0|2,0,1]=4 241 B12R1.8 BrCCCCOC1CCCCC1 Amb8855440 [0,0,0,1,0,0|2,0,1]=4 242 B12R1.8 C#CCCCNC1CCCCC1 Amb33033438 [0,0,0,1,0,0|2,0,1]=4 243 B12R1.8 C=CCSCCC1CCCCN1 Amb17503509 [0,0,0,1,0,0|3,0,0]=4 244 B12R1.8 CCCCCCC1CCCCC1 Amb22230753 [0,0,0,1,0,0|1,0,1]=3 245 B12R1.8 CCCCCCC1CCCCN1 Amb2235857 [0,0,0,1,0,0|1,0,1]=3 246 B12R1.8 CCCCCCC1CCCCN1 Amb3788214 [0,0,0,1,0,0|1,0,1]=3 247 B12R1.8 CCCCCCC1CCCNC1 Amb22642853 [0,0,0,1,0,0|2,0,0]=3 248 B12R1.8 CCCCCCC1CCNCC1 Amb35745608 [0,0,0,1,0,0|2,0,1]=4 249 B12R1.8 CCCCCCC1CCNCC1 Amb3933576 [0,0,0,1,0,0|2,0,1]=4 250 B12R1.8 CCCCCCN1CC=CCC1 Amb32428385 [0,0,0,1,0,0|2,0,1]=4 251 B12R1.8 CCCCCNC1CCCSC1 Amb19059613 [0,0,0,1,0,0|3,0,0]=4 252 B12R1.8 CCCCOCC1CCCCN1 Amb18802453 [0,0,0,1,0,0|2,0,1]=4 253 B12R1.8 CCCCOCC1CCCNC1 Amb18802451 [0,0,0,1,0,0|3,0,0]=4 254 B12R1.8 CCCC\C=C\C1C=CCCC1 Amb22546770 [0,0,0,1,0,0|1,0,2]=4 255 B12R1.8 CCCSCCC1CCCCN1 Amb17503510 [0,0,0,1,0,0|2,0,1]=4 256 B12R1.8 CNCCCCN1CCCCC1 Amb18793821 [0,0,0,1,0,0|3,0,0]=4 257 B12R1.8 CNCCCNC1CCCCC1 Amb18802059 [0,0,0,1,0,0|3,0,0]=4 258 B12R1.8 COCCCNC1CCCCC1 Amb35750760 [0,0,0,1,0,0|3,0,0]=4 259 B12R1.8 COCCCNC1CCCCC1 Amb6730320 [0,0,0,1,0,0|3,0,0]=4 260 B12R1.8 COCCNCC1CCCCC1 Amb6685600 [0,0,0,1,0,0|3,0,0]=4 261 B12R1.8 CSCCCNC1CCCCC1 Amb6719476 [0,0,0,1,0,0|3,0,0]=4 262 B12R1.8 ClCCCCCN1CCCCC1 Amb19515039 [0,0,0,1,0,0|2,0,1]=4 263 B12R1.8 ClCCCCOC1CCCCC1 Amb19073215 [0,0,0,1,0,0|2,0,1]=4 264 B12R1.8 N#CCCCCN1CCCCC1 Amb4011659 [0,0,0,1,0,0|2,0,1]=4 265 B12R1.8 N#CCCCNC1CCCCC1 Amb6706957 [0,0,0,1,0,0|2,0,1]=4 266 B12R1.8 NCCCCCC1CCCCC1 Amb18825833 [0,0,0,1,0,0|1,0,1]=3 267 B12R1.8 NCCCCCN1CCCCC1 Amb34914067 [0,0,0,1,0,0|2,0,1]=4 268 B12R1.8 NCCCCCN1CCCCC1 Amb5357882 [0,0,0,1,0,0|2,0,1]=4 269 B12R1.8 NCCCOCC1CCCCC1 Amb18802489 [0,0,0,1,0,0|2,0,1]=4 270 B12R1.8 O=C=NCCCC1CCCCC1 Amb33449653 [0,0,0,1,0,0|1,0,1]=3 271 B12R1.8 O=CCCC#CC1CCCCC1 Amb27816394 [0,0,0,1,0,0|0,0,2]=3 272 B12R1.8 O=CCCCCC1CCCCC1 Amb33359606 [0,0,0,1,0,0|0,0,0]=1 273 B12R1.8 O=CCCCCN1CCOCC1 Amb33324401 [0,0,0,1,0,0|2,0,0]=3 274 B12R1.8 OCCCCCN1CCCCC1 Amb13883419 [0,0,0,1,0,0|1,0,2]=4 275 B12R1.8 OCCCCNC1CCCCC1 Amb6334829 [0,0,0,1,0,0|1,0,2]=4 276 B12R1.8 OCCCNCC1CCCCC1 Amb6733597 [0,0,0,1,0,0|1,0,2]=4 277 B12R1.8 [N-]=[N+]=NCCCC1CCCCC1 Amb33429707 [0,0,0,1,0,0|3,0,0]=4 278 B12R1.18 C#CCCC1CCCCCC1=O Amb27814092 [0,0,0,1,0,0|0,0,2]=3 279 B12R1.18 C#CCCC1CCCCCC1Br Amb27637578 [0,0,0,1,0,0|2,0,1]=4 280 B12R1.18 C#CCCC1CCCCCC1N Amb27955048 [0,0,0,1,0,0|2,0,1]=4 281 B12R1.18 C#CCCC1CCCCCC1O Amb25764667 [0,0,0,1,0,0|2,0,1]=4 282 B12R1.18 C#CCCC1CCCCNC1=O Amb27952658 [0,0,0,1,0,0|1,0,2]=4 283 B12R1.18 C#CCCN1CCCCCC1=O Amb27455906 [0,0,0,1,0,0|1,0,2]=4 284 B12R1.18 C#CCCN1CCCCCC1C Amb28200151 [0,0,0,1,0,0|2,0,1]=4 285 B12R1.18 C#CCC[C@@H]1CCCCC[C@H]1O Amb32945566 [0,0,0,1,0,0|2,0,1]=4 286 B12R1.18 C=C1CCCCCC1CCCO Amb27457881 [0,0,0,1,0,0|2,0,0]=3 287 B12R1.18 C=CCCC1CCCCCC1O Amb27480225 [0,0,0,1,0,0|2,0,0]=3 288 B12R1.18 C=CCCN1CCCCCC1C Amb27756864 [0,0,0,1,0,0|2,0,0]=3 289 B12R1.18 C=CCCN1CCCOCC1C Amb27414258 [0,0,0,1,0,0|3,0,0]=4 290 B12R1.18 C=CCCN1CCOCCC1C Amb27809448 [0,0,0,1,0,0|3,0,0]=4 291 B12R1.18 C=CCC[C@@H]1CCCCC[C@H]1O Amb33213933 [0,0,0,1,0,0|2,0,0]=3 292 B12R1.18 C=CCNC1CCCCCC1Cl Amb28256726 [0,0,0,1,0,0|3,0,0]=4 293 B12R1.18 C=CCOC1CCCCCC1O Amb27206059 [0,0,0,1,0,0|3,0,0]=4 294 B12R1.18 C=CCO[C@@H]1CCCCC[C@@H]1O Amb27653264 [0,0,0,1,0,0|3,0,0]=4 295 B12R1.18 CC1CCCCCC1NCCF Amb28286000 [0,0,0,1,0,0|2,0,1]=4 296 B12R1.18 CC1CCCCCN1CCC#N Amb27195624 [0,0,0,1,0,0|2,0,1]=4 297 B12R1.18 CC1CCCCCN1CCC=O Amb27779071 [0,0,0,1,0,0|1,0,0]=2 298 B12R1.18 CC1CCCCCN1CCCCl Amb27212852 [0,0,0,1,0,0|2,0,1]=4 299 B12R1.18 CC1CCCCCN1CCCO Amb27254073 [0,0,0,1,0,0|1,0,2]=4 300 B12R1.18 CC1CCCCCN1C\C=C\Cl Amb27649530 [0,0,0,1,0,0|2,0,1]=4 301 B12R1.18 CCCCC1CCCC=CC1=O Amb28199947 [0,0,0,1,0,0|0,0,2]=3 302 B12R1.18 CCCCC1CCCCCC1=O Amb18799266 [0,0,0,1,0,0|0,0,0]=1 303 B12R1.18 CCCCC1CCCCCC1Br Amb28365719 [0,0,0,1,0,0|1,0,1]=3 304 B12R1.18 CCCCC1CCCCCC1Cl Amb28187102 [0,0,0,1,0,0|1,0,1]=3 305 B12R1.18 CCCCC1CCCCCC1O Amb18806714 [0,0,0,1,0,0|0,0,2]=3 306 B12R1.18 CCCCC1CCCCNC1=O Amb27770065 [0,0,0,1,0,0|1,0,0]=2 307 B12R1.18 CCCCC1NCCCCC1C Amb27986201 [0,0,0,1,0,0|2,0,1]=4 308 B12R1.18 CCCCC1NCCCNC1=O Amb32719900 [0,0,0,1,0,0|2,0,0]=3 309 B12R1.18 CCCCN1CCCNCC1=O Amb26644654 [0,0,0,1,0,0|2,0,0]=3 310 B12R1.18 CCCCN1CCNCCC1=O Amb21959310 [0,0,0,1,0,0|2,0,0]=3 311 B12R1.18 CCCC[C@@H]1CCCCC[C@H]1O Amb26435137 [0,0,0,1,0,0|0,0,2]=3 312 B12R1.18 CCCOC1CCCCCC1Br Amb26431584 [0,0,0,1,0,0|2,0,1]=4 313 B12R1.18 CCCOC1CCCCCC1I Amb25188247 [0,0,0,1,0,0|2,0,1]=4 314 B12R1.18 CCCSC1CCCCCC1O Amb27444903 [0,0,0,1,0,0|1,0,2]=4 315 B12R1.18 CCCSC1CCCCNC1=O Amb27203415 [0,0,0,1,0,0|2,0,0]=3 316 B12R1.18 CCOCC1CCCCCC1=O Amb27465325 [0,0,0,1,0,0|1,0,0]=2 317 B12R1.18 CCOCC1CCCCCC1O Amb27628602 [0,0,0,1,0,0|1,0,2]=4 318 B12R1.18 CCOC[C@@H]1CCCCC[C@H]1O Amb33212821 [0,0,0,1,0,0|1,0,2]=4 319 B12R1.18 CCOC[C@@H]1NCCCNC1=O Amb32719941 [0,0,0,1,0,0|3,0,0]=4 320 B12R1.18 CCO\C=C1/CCCCCC1=O Amb33291539 [0,0,0,1,0,0|1,0,2]=4 321 B12R1.18 CCO\C=C1\CCCCCC1=O Amb27402811 [0,0,0,1,0,0|1,0,2]=4 322 B12R1.18 CN1CCCCCC1CCCN Amb18198764 [0,0,0,1,0,0|2,0,1]=4 323 B12R1.18 CNCCN1CCCCCC1=O Amb18977654 [0,0,0,1,0,0|2,0,0]=3 324 B12R1.18 COCCC1CCCCCC1Br Amb27397473 [0,0,0,1,0,0|2,0,1]=4 325 B12R1.18 COCCC1CCCCCC1O Amb18807461 [0,0,0,1,0,0|1,0,2]=4 326 B12R1.18 COCCC1NCCCNC1=O Amb32719932 [0,0,0,1,0,0|3,0,0]=4 327 B12R1.18 COCCN1CCCNCC1=O Amb33547963 [0,0,0,1,0,0|3,0,0]=4 328 B12R1.18 COCCN1CCNCCC1=O Amb21959308 [0,0,0,1,0,0|3,0,0]=4 329 B12R1.18 COCCN1CCNCCC1=O Amb28988472 [0,0,0,1,0,0|3,0,0]=4 330 B12R1.18 CSCCC1CCCCCC1Br Amb27770850 [0,0,0,1,0,0|2,0,1]=4 331 B12R1.18 CSCCC1NCCCNC1=O Amb32719907 [0,0,0,1,0,0|3,0,0]=4 332 B12R1.18 CSCCN1CCNCCC1=O Amb35641615 [0,0,0,1,0,0|3,0,0]=4 333 B12R1.18 CSCC[C@@H]1NCCCNC1=O Amb32719926 [0,0,0,1,0,0|3,0,0]=4 334 B12R1.18 C\C=C\CC1CCCCNC1=O Amb27615324 [0,0,0,1,0,0|1,0,2]=4 335 B12R1.18 N#CCCC1CCCCCC1O Amb27587561 [0,0,0,1,0,0|2,0,1]=4 336 B12R1.18 N#CCCN1CCCCCC1=O Amb5720330 [0,0,0,1,0,0|2,0,1]=4 337 B12R1.18 NCCCN1CCCCCC1=O Amb1153735 [0,0,0,1,0,0|2,0,0]=3 338 B12R1.18 NCCCN1CCCCCC1=O Amb28991407 [0,0,0,1,0,0|2,0,0]=3 339 B12R1.18 O=C1CCCCCC1CCCO Amb27614789 [0,0,0,1,0,0|1,0,0]=2 340 B12R1.18 O=C1CCCCCC1C\C=C\Cl Amb28118877 [0,0,0,1,0,0|1,0,2]=4 341 B12R1.18 O=C1NCCCCC1CCCO Amb27157529 [0,0,0,1,0,0|2,0,0]=3 342 B12R1.18 O=C1NCCCCC1NCCF Amb27860047 [0,0,0,1,0,0|3,0,0]=4 343 B12R1.18 O=CCCC1CCCCCC1=O Amb28123079 [0,0,0,1,0,0|1,0,1]=3 344 B12R1.18 OCCCN1CCCCCC1=S Amb27853954 [0,0,0,1,0,0|2,1,0]=4 345 B12R1.37 BrCCCCCCN1CCCC1 Amb33624789 [0,0,0,1,0,0|2,0,1]=4 346 B12R1.37 BrCCCCCOC1CCCC1 Amb32689538 [0,0,0,1,0,0|2,0,1]=4 347 B12R1.37 BrCCCCOCC1CCCC1 Amb32690549 [0,0,0,1,0,0|2,0,1]=4 348 B12R1.37 CCCCCCCC1CCCN1 Amb3788212 [0,0,0,1,0,0|1,0,1]=3 349 B12R1.37 CCCCCCCC1OCCO1 Amb25368281 [0,0,0,1,0,0|1,0,2]=4 350 B12R1.37 CCCCCCNC1CCCC1 Amb6730518 [0,0,0,1,0,0|2,0,1]=4 351 B12R1.37 CCCCCCNC1CCSC1 Amb6730523 [0,0,0,1,0,0|3,0,0]=4 352 B12R1.37 CCCCCNCC1CCCO1 Amb6708057 [0,0,0,1,0,0|1,0,2]=4 353 B12R1.37 COCCCCNC1CCCC1 Amb18807086 [0,0,0,1,0,0|3,0,0]=4 354 B12R1.37 ClCCCCCOC1CCCC1 Amb9001646 [0,0,0,1,0,0|2,0,1]=4 355 B12R1.37 ClCCCCOCC1CCCC1 Amb32690548 [0,0,0,1,0,0|2,0,1]=4 356 B12R1.37 NCCCCCCC1CCCC1 Amb33380241 [0,0,0,1,0,0|1,0,1]=3 357 B12R1.37 NCCCCCCN1CCCC1 Amb2613450 [0,0,0,1,0,0|2,0,1]=4 358 B12R1.37 NCCCOCCC1CCCC1 Amb33449988 [0,0,0,1,0,0|2,0,1]=4 359 B12R1.37 O=C=NCCCCC1CCCC1 Amb33374588 [0,0,0,1,0,0|1,0,1]=3 360 B12R1.37 O=C=NCCCCN1CCCC1 Amb33449712 [0,0,0,1,0,0|2,0,1]=4 361 B12R1.37 O=CCCCCCC1CCCC1 Amb33380237 [0,0,0,1,0,0|0,0,0]=1 362 B12R1.37 O=CCCCCCN1CCCC1 Amb33274869 [0,0,0,1,0,0|1,0,0]=2 363 B12R1.37 [N-]=[N+]=NCCCCC1CCCC1 Amb33379886 [0,0,0,1,0,0|3,0,0]=4 364 B12R1.52 C=CCC1CCCCCCC1O Amb27604455 [0,0,0,1,0,0|2,0,0]=3 365 B12R1.52 C=CC[C@@H]1CCCCCC[C@H]1O Amb27457903 [0,0,0,1,0,0|2,0,0]=3 366 B12R1.52 CCOC1CCCCCCC1Br Amb26615083 [0,0,0,1,0,0|2,0,1]=4 367 B12R1.52 CCOC1CCCCCCC1I Amb25130056 [0,0,0,1,0,0|2,0,1]=4 368 B12R1.52 CCOC1CCCCCCC1O Amb18807444 [0,0,0,1,0,0|1,0,2]=4 369 B12R1.52 CCSC1CCCCCCC1N Amb28288745 [0,0,0,1,0,0|2,0,1]=4 370 B12R1.52 CC\C=C1/CCCCCCC1=O Amb27954034 [0,0,0,1,0,0|0,0,2]=3 371 B12R1.52 CC\C=C1\CCCCCCC1=O Amb26484217 [0,0,0,1,0,0|0,0,2]=3 372 B12R1.52 N#CCC1CCCCCCC1=O Amb28058875 [0,0,0,1,0,0|1,0,1]=3 373 B12R1.52 N#CCC1CCCCCCC1O Amb27451097 [0,0,0,1,0,0|2,0,1]=4 374 B12R1.52 O=CCC1CCCCCCC1=O Amb27830090 [0,0,0,1,0,0|1,0,1]=3 375 B12R1.52 OC1CCCCCCC1\C=C\Cl Amb28320770 [0,0,0,1,0,0|2,0,1]=4 376 B12R1.52 [N-]=[N+]=NC1CCCCCCC1=O Amb27794754 [0,0,0,1,0,0|3,0,0]=4 377 B12R1.73 CN1CCCCCCCC1C#N Amb27966230 [0,0,0,1,0,0|2,0,1]=4 378 B12R1.73 CN1CCCCCCCC1CN Amb27636671 [0,0,0,1,0,0|2,0,1]=4 379 B12R1.73 CN1CCCCCCCC1CO Amb28368837 [0,0,0,1,0,0|1,0,2]=4 380 B12R1.73 [N-]=[N+]=C1CCCCCCCC1=O Amb17594137 [0,0,0,1,0,0|2,0,1]=4 381 B12R1.121 C#CCCC1CCCCC1CN Amb27391001 [0,0,0,1,0,0|2,0,1]=4 382 B12R1.121 CC#CCN1CCCCC1C=O Amb18798439 [0,0,0,1,0,0|1,0,2]=4 383 B12R1.121 CCC1CCCCC1NCCO Amb19018948 [0,0,0,1,0,0|1,0,2]=4 384 B12R1.121 CCC1CCCCC1OCCO Amb18807445 [0,0,0,1,0,0|1,0,2]=4 385 B12R1.121 CCC1CCCCN1CCC#N Amb8872864 [0,0,0,1,0,0|2,0,1]=4 386 B12R1.121 CCC1CCCCN1CCCCl Amb17336179 [0,0,0,1,0,0|2,0,1]=4 387 B12R1.121 CCC1CCCCN1CCCN Amb9703676 [0,0,0,1,0,0|2,0,1]=4 388 B12R1.121 CCC1CCCCN1CCCO Amb9246593 [0,0,0,1,0,0|1,0,2]=4 389 B12R1.121 CCC1CCCCN1CCNC Amb8894089 [0,0,0,1,0,0|3,0,0]=4 390 B12R1.121 CCC1CCCCN1C\C=C\Cl Amb27456173 [0,0,0,1,0,0|2,0,1]=4 391 B12R1.121 CCCCC1NCCCC1CN Amb33500847 [0,0,0,1,0,0|2,0,1]=4 392 B12R1.121 CCCCN1CCCCC1CN Amb9731141 [0,0,0,1,0,0|2,0,1]=4 393 B12R1.121 CCCCN1CCCC[C@@H]1CN Amb33218413 [0,0,0,1,0,0|2,0,1]=4 394 B12R1.121 CCCCN1CCCC[C@H]1CN Amb33218400 [0,0,0,1,0,0|2,0,1]=4 395 B12R1.121 CCN1CCCCC1CN=C=O Amb27186727 [0,0,0,1,0,0|2,0,1]=4 396 B12R1.121 COC1CCCCC1CN=C=O Amb25159373 [0,0,0,1,0,0|2,0,1]=4 397 B12R1.121 C\C=C\CN1CCCCC1CC Amb27211425 [0,0,0,1,0,0|2,0,1]=4 398 B12R1.121 O=C=NCC1CCCCC1CF Amb27186753 [0,0,0,1,0,0|2,0,1]=4 399 B12R1.121 [C-]#[N+]CCC1CCCCC1CF Amb27791332 [0,0,0,1,0,0|3,0,0]=4 400 B12R1.150 C=C1CCCCCCCCC1O Amb27432139 [0,0,0,1,0,0|2,0,0]=3 401 B12R1.150 CC1CC=CCCCCNC1=O Amb25936084 [0,0,0,1,0,0|1,0,2]=4 402 B12R1.150 C[C@@H]1CC=CCCCCNC1=O Amb28243785 [0,0,0,1,0,0|1,0,2]=4 403 B12R1.150 C[C@@H]1CCCCCCCNC1=O Amb28047251 [0,0,0,1,0,0|1,0,0]=2 404 B12R1.150 C[C@H]1CC=CCCCCNC1=O Amb28367817 [0,0,0,1,0,0|1,0,2]=4 405 B12R1.150 C[C@H]1CCCCCCCNC1=O Amb28059295 [0,0,0,1,0,0|1,0,0]=2 406 B12R1.150 Cl[C@@H]1CCCCCCCC[C@H]1Cl Amb28130442 [0,0,0,1,0,0|2,0,1]=4 407 B12R1.150 NC1CCCCCCCCC1O Amb25152507 [0,0,0,1,0,0|1,0,2]=4 408 B12R1.150 O=C1CCCCCCCCC1=O Amb17594209 [0,0,0,1,0,0|1,0,1]=3 409 B12R1.150 O=C1CCCCCCCCC1Br Amb28244232 [0,0,0,1,0,0|1,0,0]=2 410 B12R1.150 O=C1CCCCCCCCC1Cl Amb27233508 [0,0,0,1,0,0|1,0,0]=2 411 B12R1.150 O=C1CCCCCCCCC1F Amb27828822 [0,0,0,1,0,0|1,0,0]=2 412 B12R1.150 O=C1CCCCCCCCC1O Amb4017052 [0,0,0,1,0,0|1,0,0]=2 413 B12R1.150 O=C1NCCCCCCCC1Br Amb27410410 [0,0,0,1,0,0|2,0,0]=3 414 B12R1.150 OC1CCCCCCCCC1Cl Amb27828119 [0,0,0,1,0,0|1,0,2]=4 415 B12R1.150 OC1CCCCCCCCC1O Amb17594327 [0,0,0,1,0,0|1,0,2]=4 416 B12R1.150 O[C@@H]1CCCCCCCC[C@H]1Cl Amb28132360 [0,0,0,1,0,0|1,0,2]=4 417 B12R1.150 O[C@@H]1CCCCCCCC[C@H]1O Amb28290410 [0,0,0,1,0,0|1,0,2]=4 418 B12R1.169 C#CCC1CCCCC1CNC Amb27808915 [0,0,0,1,0,0|2,0,1]=4 419 B12R1.169 C#CCC1CCCCC1NCC Amb18798499 [0,0,0,1,0,0|2,0,1]=4 420 B12R1.169 C#CCN1CCCCC1CC=O Amb28241397 [0,0,0,1,0,0|1,0,2]=4 421 B12R1.169 C=C=CC1CCCCC1CC=O Amb27177462 [0,0,0,1,0,0|0,0,3]=4 422 B12R1.169 C=CCC1CCCCC1NC=O Amb35719495 [0,0,0,1,0,0|1,0,2]=4 423 B12R1.169 CCCC1CCCCN1CC#N Amb27976634 [0,0,0,1,0,0|2,0,1]=4 424 B12R1.173 OCCN1CCCCCCCC1 Amb27980603 [0,0,0,1,0,0|1,0,2]=4 425 B12R1.215 CN1CCCCCCNCCC1 Amb32753622 [0,0,0,1,0,0|3,0,0]=4 426 B12R1.215 O=C1CCC#CCCCCCC1 Amb27869824 [0,0,0,1,0,0|0,0,2]=3 427 B12R1.215 O=C1CCCC#CCCCCC1 Amb27234351 [0,0,0,1,0,0|0,0,2]=3 428 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [0,0,0,1,0,0|0,0,0]=1 429 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [0,0,0,1,0,0|1,0,0]=2 430 B12R1.215 O=C1CCCCCOCCCC1 Amb27177976 [0,0,0,1,0,0|1,0,0]=2 431 B12R1.215 O=C1CCNCCCCCCN1 Amb25704380 [0,0,0,1,0,0|2,0,0]=3 432 B12R1.267 C#CCCCC1CCCCC1=O Amb27175821 [0,0,0,1,0,0|0,0,2]=3 433 B12R1.267 C#CCCCC1CCCCC1N Amb27416555 [0,0,0,1,0,0|2,0,1]=4 434 B12R1.267 C#CCCCC1CCCCC1O Amb24416932 [0,0,0,1,0,0|2,0,1]=4 435 B12R1.267 C#CCCCC1CCCNC1=O Amb27603127 [0,0,0,1,0,0|1,0,2]=4 436 B12R1.267 C#CCCCC1CNCCC1=O Amb27976717 [0,0,0,1,0,0|1,0,2]=4 437 B12R1.267 C#CCCCN1CCCCC1C Amb27195311 [0,0,0,1,0,0|2,0,1]=4 438 B12R1.267 C#CCCC[C@@H]1CCCC[C@H]1O Amb26426712 [0,0,0,1,0,0|2,0,1]=4 439 B12R1.267 C=C=CCCC1CCCCC1=O Amb28053969 [0,0,0,1,0,0|0,0,3]=4 440 B12R1.267 C=CCCCC1CCCCC1=O Amb17594142 [0,0,0,1,0,0|0,0,2]=3 441 B12R1.267 C=CCCCC1CCCCC1O Amb33213369 [0,0,0,1,0,0|2,0,0]=3 442 B12R1.267 C=CCCC[C@@H]1CCCC[C@H]1O Amb32945331 [0,0,0,1,0,0|2,0,0]=3 443 B12R1.267 CC#CCCC1CCCCC1=O Amb27256491 [0,0,0,1,0,0|0,0,2]=3 444 B12R1.267 CC#CCCC1CCCNC1=O Amb27863720 [0,0,0,1,0,0|1,0,2]=4 445 B12R1.267 CC#CCCC1CNCCC1=O Amb27178430 [0,0,0,1,0,0|1,0,2]=4 446 B12R1.267 CC#CCCC1COCCC1=O Amb27831773 [0,0,0,1,0,0|1,0,2]=4 447 B12R1.267 CC1CCCCC1CNCC#N Amb18979886 [0,0,0,1,0,0|2,0,1]=4 448 B12R1.267 CC1CCCCC1NCCC#N Amb6736393 [0,0,0,1,0,0|2,0,1]=4 449 B12R1.267 CC1CCCCC1NCCCN Amb17315297 [0,0,0,1,0,0|2,0,1]=4 450 B12R1.267 CC1CCCCC1NCCCO Amb4304111 [0,0,0,1,0,0|1,0,2]=4 451 B12R1.267 CC1CCCCC1NC\C=C\Cl Amb27587496 [0,0,0,1,0,0|2,0,1]=4 452 B12R1.267 CC1CCCCN1CCCC#N Amb6268645 [0,0,0,1,0,0|2,0,1]=4 453 B12R1.267 CC1CCCCN1CCCCCl Amb17336177 [0,0,0,1,0,0|2,0,1]=4 454 B12R1.267 CC1CCCCN1CCCCN Amb5357863 [0,0,0,1,0,0|2,0,1]=4 455 B12R1.267 CC1CCCCN1CCCON Amb17104890 [0,0,0,1,0,0|3,0,0]=4 456 B12R1.267 CC1CCCCN1CCN=C=O Amb27803090 [0,0,0,1,0,0|2,0,1]=4 457 B12R1.267 CCC#CCC1CCCCC1=O Amb27599447 [0,0,0,1,0,0|0,0,2]=3 458 B12R1.267 CCCCCC1CCCCC1=O Amb18788895 [0,0,0,1,0,0|0,0,0]=1 459 B12R1.267 CCCCCC1CCCCC1O Amb18806707 [0,0,0,1,0,0|0,0,2]=3 460 B12R1.267 CCCCC[C@@H]1CCCC[C@H]1O Amb32944228 [0,0,0,1,0,0|0,0,2]=3 461 B12R1.267 CCCCNC1CCCCC1C Amb6690979 [0,0,0,1,0,0|2,0,1]=4 462 B12R1.267 CCCCOC1CCCCC1Br Amb33349372 [0,0,0,1,0,0|2,0,1]=4 463 B12R1.267 CCCCOC1CCCCC1I Amb33349604 [0,0,0,1,0,0|2,0,1]=4 464 B12R1.267 CCCC\C=C1/CCCCC1=O Amb27176057 [0,0,0,1,0,0|0,0,2]=3 465 B12R1.267 CCCC\C=C1\CCCCC1=O Amb26548610 [0,0,0,1,0,0|0,0,2]=3 466 B12R1.267 CCCNCC1CCCNC1=O Amb32756838 [0,0,0,1,0,0|2,0,0]=3 467 B12R1.267 CCCOCC1CCCCC1O Amb33213642 [0,0,0,1,0,0|1,0,2]=4 468 B12R1.267 CCCOC[C@@H]1CCCC[C@H]1O Amb32945321 [0,0,0,1,0,0|1,0,2]=4 469 B12R1.267 CCC\C=C\[C@H]1CCCCC1=O Amb28321855 [0,0,0,1,0,0|0,0,2]=3 470 B12R1.267 CCC\C=N\N1CCCCC1=O Amb28293820 [0,0,0,1,0,0|2,0,1]=4 471 B12R1.267 CN1CCCCC1CCCC=O Amb33322453 [0,0,0,1,0,0|1,0,0]=2 472 B12R1.267 CN1CCCCC1CCCCN Amb33322457 [0,0,0,1,0,0|2,0,1]=4 473 B12R1.267 CN1CCCCC1CCN=C=O Amb33323466 [0,0,0,1,0,0|2,0,1]=4 474 B12R1.267 COCCCC1CCCCC1O Amb18807460 [0,0,0,1,0,0|1,0,2]=4 475 B12R1.267 COCCC[C@@H]1CCCC[C@H]1O Amb32945788 [0,0,0,1,0,0|1,0,2]=4 476 B12R1.267 COCCNC1CCCCC1C Amb6685591 [0,0,0,1,0,0|3,0,0]=4 477 B12R1.267 C\C=C\CCC1CCCCC1=O Amb26592783 [0,0,0,1,0,0|0,0,2]=3 478 B12R1.267 C\C=C\COC1CCCCC1=O Amb25179608 [0,0,0,1,0,0|1,0,2]=4 479 B12R1.267 N#CCCCC1CCCCC1=O Amb18646376 [0,0,0,1,0,0|1,0,1]=3 480 B12R1.267 NCCCCN1CCCCC1=O Amb6751260 [0,0,0,1,0,0|2,0,0]=3 481 B12R1.267 NCCCCN1CCOCC1=O Amb18254549 [0,0,0,1,0,0|3,0,0]=4 482 B12R1.267 O=C1CCCCC1CNCCBr Amb1146038 [0,0,0,1,0,0|2,0,0]=3 483 B12R1.267 O=C1CCCCC1CNCCBr Amb2602398 [0,0,0,1,0,0|2,0,0]=3 484 B12R1.267 O=C1CCCCC1C\C=C/CO Amb27409618 [0,0,0,1,0,0|1,0,2]=4 485 B12R1.267 O=C1CCCCC1C\C=C\CO Amb25108064 [0,0,0,1,0,0|1,0,2]=4 486 B12R1.267 O=C=NCCC1CCCCC1F Amb27209068 [0,0,0,1,0,0|2,0,1]=4 487 B12R1.267 O=C\C=C\CC1CCCCC1O Amb27859379 [0,0,0,1,0,0|1,0,2]=4 488 B12R1.267 [C-]#[N+]CCCN1CCCCC1C Amb33747524 [0,0,0,1,0,0|3,0,0]=4 489 B12R1.271 CNCCCCNCC1CC1C Amb28963358 [0,0,0,1,0,0|3,0,0]=4 490 B12R1.271 CNCCCCNCC1CC1C Amb32670700 [0,0,0,1,0,0|3,0,0]=4 491 B12R1.272 C=CCCCCCOC1CNC1 Amb32941472 [0,0,0,1,0,0|3,0,0]=4 492 B12R1.272 CCCCCCCOC1CNC1 Amb18802643 [0,0,0,1,0,0|3,0,0]=4 493 B12R1.272 COCCCCCNC1CCC1 Amb33133272 [0,0,0,1,0,0|3,0,0]=4 494 B12R1.281 C#CCC1CCCCCC1CN Amb27170406 [0,0,0,1,0,0|2,0,1]=4 495 B12R1.281 C=CCC1CCCCCC1NC Amb18799003 [0,0,0,1,0,0|2,0,0]=3 496 B12R1.281 C=CCN1CCCCCC1CBr Amb27468425 [0,0,0,1,0,0|3,0,0]=4 497 B12R1.281 C=CCN1CCCCCC1CO Amb27881501 [0,0,0,1,0,0|3,0,0]=4 498 B12R1.281 CCC1CCCCCC1CCN Amb35733868 [0,0,0,1,0,0|1,0,1]=3 499 B12R1.281 CCC1CCCCCC1NOC Amb35725726 [0,0,0,1,0,0|3,0,0]=4 500 B12R1.281 CCC1CCCCCN1CCI Amb28207013 [0,0,0,1,0,0|2,0,1]=4 501 B12R1.281 CCC1CCCCCN1CCO Amb27601383 [0,0,0,1,0,0|1,0,2]=4 502 B12R1.281 CCC1CCCCCN1CCS Amb27640921 [0,0,0,1,0,0|1,1,1]=4 503 B12R1.281 CCCC1CCCCCC1NC Amb18801600 [0,0,0,1,0,0|2,0,0]=3 504 B12R1.281 CCN1CCCCCC1CC#N Amb27246476 [0,0,0,1,0,0|2,0,1]=4 505 B12R1.281 CCN1CCCCCC1CCO Amb27187666 [0,0,0,1,0,0|1,0,2]=4 506 B12R1.281 CCNC1CCCCCC1CO Amb27190715 [0,0,0,1,0,0|1,0,2]=4 507 B12R1.281 CCSC1CCCCCC1CN Amb9391478 [0,0,0,1,0,0|2,0,1]=4 508 B12R1.329 C#CCNC1CCCCCCC1 Amb5262822 [0,0,0,1,0,0|2,0,1]=4 509 B12R1.329 C=CCCC1=CCCCCCC1 Amb30012337 [0,0,0,1,0,0|1,0,2]=4 510 B12R1.329 C=CCNC1CCCCCCC1 Amb32652162 [0,0,0,1,0,0|2,0,0]=3 511 B12R1.329 C=CCNC1CCCCCCC1 Amb6683796 [0,0,0,1,0,0|2,0,0]=3 512 B12R1.329 CCCNC1C=CCCCCC1 Amb27770740 [0,0,0,1,0,0|2,0,0]=3 513 B12R1.329 CCNCC1CCCCCCN1 Amb27465063 [0,0,0,1,0,0|2,0,1]=4 514 B12R1.329 CNCCC1CCCCCCC1 Amb18563069 [0,0,0,1,0,0|2,0,0]=3 515 B12R1.329 COCCN1CCCCCCC1 Amb13979396 [0,0,0,1,0,0|3,0,0]=4 516 B12R1.329 FCCNC1CCCCCCC1 Amb27950263 [0,0,0,1,0,0|2,0,1]=4 517 B12R1.329 ICCCN1CCCCCCC1 Amb27451540 [0,0,0,1,0,0|2,0,1]=4 518 B12R1.329 N#CCCN1CCCCCCC1 Amb6750398 [0,0,0,1,0,0|2,0,1]=4 519 B12R1.329 O=CCCC1C=CCCCCC1 Amb28255663 [0,0,0,1,0,0|0,0,2]=3 520 B12R1.329 O=CNN=C1CCCCCCC1 Amb27163825 [0,0,0,1,0,0|2,0,1]=4 521 B12R1.329 O=C\C=C\C1CCCCCCC1 Amb28315294 [0,0,0,1,0,0|0,0,2]=3 522 B12R1.329 OCCCC1CCCCCCN1 Amb18198426 [0,0,0,1,0,0|1,0,2]=4 523 B12R1.329 OCCCN1CCCCCCC1 Amb9246713 [0,0,0,1,0,0|1,0,2]=4 524 B12R1.329 OCCNC1CCCCCCC1 Amb32729413 [0,0,0,1,0,0|1,0,2]=4 525 B12R1.329 OCCNC1CCCCCCC1 Amb6710305 [0,0,0,1,0,0|1,0,2]=4 526 B12R1.329 SCCNC1CCCCCCC1 Amb26371947 [0,0,0,1,0,0|1,1,1]=4 527 B12R1.372 CCCCCCC1=CCCC1=O Amb533163 [0,0,0,1,0,0|0,0,2]=3 528 B12R1.372 CCCCCCC1CCCC1=O Amb621142 [0,0,0,1,0,0|0,0,0]=1 529 B12R1.372 CCCCCCN1CCCC1=O Amb8387412 [0,0,0,1,0,0|1,0,0]=2 530 B12R1.372 CCCCCOC1CCCC1Br Amb33129925 [0,0,0,1,0,0|2,0,1]=4 531 B12R1.372 CCCCCOC1CCCC1I Amb33348895 [0,0,0,1,0,0|2,0,1]=4 532 B12R1.372 CCOCCCN1CCNC1=O Amb32427138 [0,0,0,1,0,0|3,0,0]=4 533 B12R1.372 CN1CCCC1CCCCC=O Amb33320354 [0,0,0,1,0,0|1,0,0]=2 534 B12R1.372 CN1CCCC1CCCCCN Amb33320356 [0,0,0,1,0,0|2,0,1]=4 535 B12R1.372 CN1CCCC1CCCN=C=O Amb33321397 [0,0,0,1,0,0|2,0,1]=4 536 B12R1.372 COCCCNC1CCCC1C Amb33496277 [0,0,0,1,0,0|3,0,0]=4 537 B12R1.373 CCCCCCN1CCC1CN Amb33252021 [0,0,0,1,0,0|2,0,1]=4 538 B12R1.375 CCCCNCCCCC1CC1 Amb32675845 [0,0,0,1,0,0|2,0,1]=4 539 B12R1.375 COCCNCCCCC1CC1 Amb32675835 [0,0,0,1,0,0|3,0,0]=4 540 B12R1.383 CC1CCC1CNCCCCO Amb32421511 [0,0,0,1,0,0|1,0,2]=4 541 B12R1.399 CNC1CCCCCCC1SC Amb27952593 [0,0,0,1,0,0|3,0,0]=4 542 B12R1.399 O=CN1CCCCCCC1CO Amb27179762 [0,0,0,1,0,0|2,0,0]=3 543 B12R1.399 OCC1CCCCCCC1CO Amb27472666 [0,0,0,1,0,0|1,0,2]=4 544 B12R1.410 CCC1CCCCCCCCC1 Amb6359494 [0,0,0,1,0,0|1,0,1]=3 545 B12R1.410 CNC1CCCCCCCCC1 Amb13883575 [0,0,0,1,0,0|2,0,0]=3 546 B12R1.410 OCC1CCCCCCCCC1 Amb28189439 [0,0,0,1,0,0|0,0,2]=3 547 B12R1.410 OCC1CCCCNCCCC1 Amb27259380 [0,0,0,1,0,0|1,0,2]=4 548 B12R1.410 ON=C1CCCCCCCCC1 Amb17671029 [0,0,0,1,0,0|1,0,2]=4 549 B12R1.458 CCCC1CCC1CNCCN Amb32420104 [0,0,0,1,0,0|2,0,1]=4 550 B12R1.550 C1=CCCCCCCCCCC1 Amb534273 [0,0,0,1,0,0|1,0,0]=2 551 B12R1.550 C1=CCCCCCCCCCC1 Amb9787102 [0,0,0,1,0,0|1,0,0]=2 552 B12R1.550 C1CCCCNCCNCCC1 Amb28135408 [0,0,0,1,0,0|2,0,1]=4 553 B12R1.550 C1CCNCCCCCNCC1 Amb24743503 [0,0,0,1,0,0|2,0,1]=4 554 B12R1.1414 C#CCCCC1CCCCNC1 Amb27873618 [0,0,0,1,0,0|2,0,1]=4 555 B12R1.1414 C#CCNCC1CCCCCC1 Amb27389942 [0,0,0,1,0,0|2,0,1]=4 556 B12R1.1414 CCCCNC1CCCCCC1 Amb22587068 [0,0,0,1,0,0|2,0,1]=4 557 B12R1.1414 CCCCNC1CCCCCC1 Amb6690970 [0,0,0,1,0,0|2,0,1]=4 558 B12R1.1414 CNCCCN1CCCCCC1 Amb10607516 [0,0,0,1,0,0|3,0,0]=4 559 B12R1.1414 COCCCN1CCCCCC1 Amb17232846 [0,0,0,1,0,0|3,0,0]=4 560 B12R1.1414 COCCNC1CCCCCC1 Amb6685581 [0,0,0,1,0,0|3,0,0]=4 561 B12R1.1414 ClCCCCN1CCCCCC1 Amb17336176 [0,0,0,1,0,0|2,0,1]=4 562 B12R1.1414 N#CCCCN1CCCCCC1 Amb4010764 [0,0,0,1,0,0|2,0,1]=4 563 B12R1.1414 NCCCCC1CCCCCC1 Amb33079329 [0,0,0,1,0,0|1,0,1]=3 564 B12R1.1414 NCCCCN1CCCCCC1 Amb22586873 [0,0,0,1,0,0|2,0,1]=4 565 B12R1.1414 NCCCCN1CCCCCC1 Amb5357868 [0,0,0,1,0,0|2,0,1]=4 566 B12R1.1414 NCCCNC1CCCCCC1 Amb17315279 [0,0,0,1,0,0|2,0,1]=4 567 B12R1.1414 NCCCOC1CCCCCC1 Amb19025686 [0,0,0,1,0,0|2,0,1]=4 568 B12R1.1414 NOCCCN1CCCCCC1 Amb17104889 [0,0,0,1,0,0|3,0,0]=4 569 B12R1.1414 O=C=NCCC1CCCCCC1 Amb25222900 [0,0,0,1,0,0|1,0,1]=3 570 B12R1.1414 O=CCCCC1CCCCCC1 Amb32880555 [0,0,0,1,0,0|0,0,0]=1 571 B12R1.1414 OCCCCN1CCCCCC1 Amb3204766 [0,0,0,1,0,0|1,0,2]=4 572 B12R1.1414 OCCCNC1CCCCCC1 Amb35752311 [0,0,0,1,0,0|1,0,2]=4 573 B12R1.1414 OCCCNC1CCCCCC1 Amb6733580 [0,0,0,1,0,0|1,0,2]=4 574 B12R1.1414 [N-]=[N+]=NCCC1CCCCCC1 Amb32881852 [0,0,0,1,0,0|3,0,0]=4 575 B9R0.45 BrCCCCCCCCBr Amb2725461 [2,0,0,0,0,0|2,0,0]=4 576 B9R0.45 C#CCCCCCCCC Amb2721541 [2,0,0,0,0,0|0,0,2]=4 577 B9R0.45 C=CCCCCCCC=O Amb28193259 [2,0,0,0,0,0|0,0,2]=4 578 B9R0.45 C=CCCCCCCCBr Amb19895211 [2,0,0,0,0,0|1,0,1]=4 579 B9R0.45 C=CCCCCCCCC Amb3940503 [2,0,0,0,0,0|0,0,1]=3 580 B9R0.45 C=CCCCCCCCCl Amb6298880 [2,0,0,0,0,0|1,0,1]=4 581 B9R0.45 C=CCCCCCCCN Amb24763980 [2,0,0,0,0,0|1,0,1]=4 582 B9R0.45 C=CCCCCCCCN Amb32653343 [2,0,0,0,0,0|1,0,1]=4 583 B9R0.45 C=CCCCCCCCO Amb22733549 [2,0,0,0,0,0|1,0,1]=4 584 B9R0.45 C=CCCCCCCNC Amb28120535 [2,0,0,0,0,0|1,0,1]=4 585 B9R0.45 C=CCCCCCSCC Amb27396740 [2,0,0,0,0,0|1,0,1]=4 586 B9R0.45 C=CCCCCNCCC Amb26576689 [2,0,0,0,0,0|1,0,1]=4 587 B9R0.45 C=CCCCNCCCC Amb27799206 [2,0,0,0,0,0|1,0,1]=4 588 B9R0.45 C=CCCNCCCCC Amb27838999 [2,0,0,0,0,0|1,0,1]=4 589 B9R0.45 C=CCNCCCCCC Amb7756950 [2,0,0,0,0,0|1,0,1]=4 590 B9R0.45 C=CCOCCCCCC Amb17933923 [2,0,0,0,0,0|1,0,1]=4 591 B9R0.45 C=CCSCCCCCC Amb22733767 [2,0,0,0,0,0|1,0,1]=4 592 B9R0.45 CC#CCCCCCC=O Amb28198592 [2,0,0,0,0,0|0,0,2]=4 593 B9R0.45 CC#CCCCCCCC Amb2721539 [2,0,0,0,0,0|0,0,2]=4 594 B9R0.45 CCC#CCCCCCC Amb2721540 [2,0,0,0,0,0|0,0,2]=4 595 B9R0.45 CCCC#CCCCCC Amb2721550 [2,0,0,0,0,0|0,0,2]=4 596 B9R0.45 CCCCC#CCCC=O Amb27790685 [2,0,0,0,0,0|0,0,2]=4 597 B9R0.45 CCCCC#CCCCC Amb2721554 [2,0,0,0,0,0|0,0,2]=4 598 B9R0.45 CCCCCCCCC#N Amb7764626 [2,0,0,0,0,0|1,0,1]=4 599 B9R0.45 CCCCCCCCCBr Amb3940224 [2,0,0,0,0,0|1,0,0]=3 600 B9R0.45 CCCCCCCCCC Amb7757835 [2,0,0,0,0,0|0,0,0]=2 601 B9R0.45 CCCCCCCCCCl Amb6652537 [2,0,0,0,0,0|1,0,0]=3 602 B9R0.45 CCCCCCCCCF Amb8515361 [2,0,0,0,0,0|1,0,0]=3 603 B9R0.45 CCCCCCCCCI Amb3940284 [2,0,0,0,0,0|1,0,0]=3 604 B9R0.45 CCCCCCCCCN Amb3987584 [2,0,0,0,0,0|1,0,0]=3 605 B9R0.45 CCCCCCCCCO Amb3940342 [2,0,0,0,0,0|0,0,1]=3 606 B9R0.45 CCCCCCCCC[Mg+] Amb22351330 [2,0,0,0,0,0|1,0,0]=3 607 B9R0.45 CCCCCCCCNC Amb7757640 [2,0,0,0,0,0|1,0,0]=3 608 B9R0.45 CCCCCCCCNN Amb7786451 [2,0,0,0,0,0|2,0,0]=4 609 B9R0.45 CCCCCCCCNO Amb28069968 [2,0,0,0,0,0|1,0,1]=4 610 B9R0.45 CCCCCCCCON Amb2818885 [2,0,0,0,0,0|2,0,0]=4 611 B9R0.45 CCCCCCCCSC Amb10553780 [2,0,0,0,0,0|1,0,0]=3 612 B9R0.45 CCCCCCCN=C=O Amb3940866 [2,0,0,0,0,0|1,0,1]=4 613 B9R0.45 CCCCCCCNC=O Amb27170738 [2,0,0,0,0,0|1,0,0]=3 614 B9R0.45 CCCCCCCOC=O Amb9787223 [2,0,0,0,0,0|1,0,0]=3 615 B9R0.45 CCCCCCCOCC Amb26332517 [2,0,0,0,0,0|1,0,0]=3 616 B9R0.45 CCCCCCNCCC Amb6730565 [2,0,0,0,0,0|1,0,0]=3 617 B9R0.45 CCCCCCNCCCl Amb27175028 [2,0,0,0,0,0|2,0,0]=4 618 B9R0.45 CCCCCCNCCN Amb33611669 [2,0,0,0,0,0|2,0,0]=4 619 B9R0.45 CCCCCCNCCN Amb9786764 [2,0,0,0,0,0|2,0,0]=4 620 B9R0.45 CCCCCCNCCO Amb2720857 [2,0,0,0,0,0|1,0,1]=4 621 B9R0.45 CCCCCCOCC=O Amb26624223 [2,0,0,0,0,0|1,0,0]=3 622 B9R0.45 CCCCCCOCCC Amb27838831 [2,0,0,0,0,0|1,0,0]=3 623 B9R0.45 CCCCCCOCCCl Amb8828502 [2,0,0,0,0,0|2,0,0]=4 624 B9R0.45 CCCCCCOCCO Amb9787183 [2,0,0,0,0,0|1,0,1]=4 625 B9R0.45 CCCCCCPCCN Amb28121064 [2,0,0,0,0,0|2,0,0]=4 626 B9R0.45 CCCCCCSCCCl Amb22228746 [2,0,0,0,0,0|2,0,0]=4 627 B9R0.45 CCCCCCSCCN Amb7794935 [2,0,0,0,0,0|2,0,0]=4 628 B9R0.45 CCCCCC\C=C\C=O Amb24061310 [2,0,0,0,0,0|0,0,2]=4 629 B9R0.45 CCCCCNCCCBr Amb27171159 [2,0,0,0,0,0|2,0,0]=4 630 B9R0.45 CCCCCNCCCC Amb6688183 [2,0,0,0,0,0|1,0,0]=3 631 B9R0.45 CCCCCNCCCF Amb27757655 [2,0,0,0,0,0|2,0,0]=4 632 B9R0.45 CCCCCNCCCN Amb17315271 [2,0,0,0,0,0|2,0,0]=4 633 B9R0.45 CCCCCNCCCO Amb6733807 [2,0,0,0,0,0|1,0,1]=4 634 B9R0.45 CCCCCNCCNC Amb2691992 [2,0,0,0,0,0|2,0,0]=4 635 B9R0.45 CCCCCNCCOC Amb6708081 [2,0,0,0,0,0|2,0,0]=4 636 B9R0.45 CCCCCOCCC=O Amb27628424 [2,0,0,0,0,0|1,0,0]=3 637 B9R0.45 CCCCCSCCCF Amb28204722 [2,0,0,0,0,0|2,0,0]=4 638 B9R0.45 CCCCCSCCCN Amb17500694 [2,0,0,0,0,0|2,0,0]=4 639 B9R0.45 CCCCCSCCCO Amb17502837 [2,0,0,0,0,0|1,0,1]=4 640 B9R0.45 CCCCCSCCSC Amb28282346 [2,0,0,0,0,0|2,0,0]=4 641 B9R0.45 CCCCNCCCCBr Amb27403712 [2,0,0,0,0,0|2,0,0]=4 642 B9R0.45 CCCCNCCCNC Amb24502382 [2,0,0,0,0,0|2,0,0]=4 643 B9R0.45 CCCCNCCCOC Amb6730310 [2,0,0,0,0,0|2,0,0]=4 644 B9R0.45 CCCCNCCOCC Amb9241010 [2,0,0,0,0,0|2,0,0]=4 645 B9R0.45 CCCCOCCCCBr Amb8895240 [2,0,0,0,0,0|2,0,0]=4 646 B9R0.45 CCCCOCCCCCl Amb18798377 [2,0,0,0,0,0|2,0,0]=4 647 B9R0.45 CCCCOCCCCO Amb19375051 [2,0,0,0,0,0|1,0,1]=4 648 B9R0.45 CCCCOCCOCC Amb25248413 [2,0,0,0,0,0|2,0,0]=4 649 B9R0.45 CCCCSCCCCN Amb9480126 [2,0,0,0,0,0|2,0,0]=4 650 B9R0.45 CCCCSCCCCS Amb28206440 [2,0,0,0,0,0|1,1,0]=4 651 B9R0.45 CCCCSCCCOC Amb27651352 [2,0,0,0,0,0|2,0,0]=4 652 B9R0.45 CCCCSCCOCC Amb10669603 [2,0,0,0,0,0|2,0,0]=4 653 B9R0.45 CCCCSSCCCC Amb8513071 [2,0,0,0,0,0|2,0,0]=4 654 B9R0.45 CCCC[Te][Te]CCCC Amb8515301 [2,0,0,0,0,0|2,0,0]=4 655 B9R0.45 CCCC\C=C/CCCC Amb27196227 [2,0,0,0,0,0|0,0,2]=4 656 B9R0.45 CCCC\C=C\CCC=O Amb27966384 [2,0,0,0,0,0|0,0,2]=4 657 B9R0.45 CCCC\C=C\CCCC Amb2721542 [2,0,0,0,0,0|0,0,2]=4 658 B9R0.45 CCCNCCCCCBr Amb27614955 [2,0,0,0,0,0|2,0,0]=4 659 B9R0.45 CCCNCCCCCO Amb17334254 [2,0,0,0,0,0|1,0,1]=4 660 B9R0.45 CCCNCCCCSC Amb18798068 [2,0,0,0,0,0|2,0,0]=4 661 B9R0.45 CCCNCCCSCC Amb18177748 [2,0,0,0,0,0|2,0,0]=4 662 B9R0.45 CCCOCCCCCBr Amb27494337 [2,0,0,0,0,0|2,0,0]=4 663 B9R0.45 CCCOCCCCCN Amb27869443 [2,0,0,0,0,0|2,0,0]=4 664 B9R0.45 CCCOCCCNC=O Amb27453700 [2,0,0,0,0,0|2,0,0]=4 665 B9R0.45 CCCOCCOCCC Amb27441214 [2,0,0,0,0,0|2,0,0]=4 666 B9R0.45 CCCSCCCCCBr Amb27603024 [2,0,0,0,0,0|2,0,0]=4 667 B9R0.45 CCCSCCCCCCl Amb9304986 [2,0,0,0,0,0|2,0,0]=4 668 B9R0.45 CCCSCCCCCS Amb27431515 [2,0,0,0,0,0|1,1,0]=4 669 B9R0.45 CCCSCCSCCC Amb4019972 [2,0,0,0,0,0|2,0,0]=4 670 B9R0.45 CCC\C=C\CCCC=O Amb33361614 [2,0,0,0,0,0|0,0,2]=4 671 B9R0.45 CCC\C=C\CCCCC Amb22231673 [2,0,0,0,0,0|0,0,2]=4 672 B9R0.45 CCNCCCCCCN Amb25855319 [2,0,0,0,0,0|2,0,0]=4 673 B9R0.45 CCNCCCCCOC Amb28186272 [2,0,0,0,0,0|2,0,0]=4 674 B9R0.45 CCNCCCCCSC Amb27167121 [2,0,0,0,0,0|2,0,0]=4 675 B9R0.45 CCNCCCCNCC Amb20621746 [2,0,0,0,0,0|2,0,0]=4 676 B9R0.45 CCOCCCCCCS Amb27834959 [2,0,0,0,0,0|1,1,0]=4 677 B9R0.45 CCOCCCCNC=O Amb27634560 [2,0,0,0,0,0|2,0,0]=4 678 B9R0.45 CCOCCCCOCC Amb10807403 [2,0,0,0,0,0|2,0,0]=4 679 B9R0.45 CCOCCOCCC=O Amb27167183 [2,0,0,0,0,0|2,0,0]=4 680 B9R0.45 CCSCCCCCCCl Amb18186755 [2,0,0,0,0,0|2,0,0]=4 681 B9R0.45 CCSCCCCSCC Amb4017492 [2,0,0,0,0,0|2,0,0]=4 682 B9R0.45 CC\C=C\CCCCCC Amb22231672 [2,0,0,0,0,0|0,0,2]=4 683 B9R0.45 CNCCCCCCNC Amb9826092 [2,0,0,0,0,0|2,0,0]=4 684 B9R0.45 COCCCCCCCCl Amb28066514 [2,0,0,0,0,0|2,0,0]=4 685 B9R0.45 COCCCCCCOC Amb10807404 [2,0,0,0,0,0|2,0,0]=4 686 B9R0.45 CSCCCCCCCN Amb27860341 [2,0,0,0,0,0|2,0,0]=4 687 B9R0.45 CSCCCCCCSC Amb6366244 [2,0,0,0,0,0|2,0,0]=4 688 B9R0.45 CSCCCCCNC=O Amb27165514 [2,0,0,0,0,0|2,0,0]=4 689 B9R0.45 C\C=C/CCCCCCC Amb26019969 [2,0,0,0,0,0|0,0,2]=4 690 B9R0.45 ClCCCCCCCCCl Amb2721447 [2,0,0,0,0,0|2,0,0]=4 691 B9R0.45 FCCCCCCCCBr Amb27265588 [2,0,0,0,0,0|2,0,0]=4 692 B9R0.45 FCCCCCCCCCl Amb28067739 [2,0,0,0,0,0|2,0,0]=4 693 B9R0.45 FCCCCCCCCF Amb22641491 [2,0,0,0,0,0|2,0,0]=4 694 B9R0.45 N#CCCCCCCC=O Amb26516252 [2,0,0,0,0,0|1,0,1]=4 695 B9R0.45 NCCCCCCCCN Amb8387247 [2,0,0,0,0,0|2,0,0]=4 696 B9R0.45 NCCCCCCCCO Amb24116967 [2,0,0,0,0,0|1,0,1]=4 697 B9R0.45 NCCCCCCNC=O Amb28251393 [2,0,0,0,0,0|2,0,0]=4 698 B9R0.45 NCCCNCCCC=O Amb27489145 [2,0,0,0,0,0|2,0,0]=4 699 B9R0.45 O=CCCCCCCC=O Amb27836602 [2,0,0,0,0,0|1,0,1]=4 700 B9R0.45 O=CCCCCCCCF Amb25075653 [2,0,0,0,0,0|1,0,0]=3 701 B9R0.45 O=CCCCCCCCO Amb25765567 [2,0,0,0,0,0|1,0,0]=3 702 B9R0.45 OCCCCCCCCBr Amb4296902 [2,0,0,0,0,0|1,0,1]=4 703 B9R0.45 OCCCCCCCCCl Amb6366711 [2,0,0,0,0,0|1,0,1]=4 704 B9R0.45 OCCCCCCCCF Amb25330666 [2,0,0,0,0,0|1,0,1]=4 705 B9R0.45 OCCCCCCCCI Amb32411246 [2,0,0,0,0,0|1,0,1]=4 706 B9R0.45 OCCCCCCCCO Amb8383419 [2,0,0,0,0,0|1,0,1]=4 707 B9R0.45 OCCCCCCCCS Amb28046913 [2,0,0,0,0,0|1,0,1]=4 708 B9R0.45 [NH3+]CCCCCCCC[NH3+] Amb16234024 [2,0,0,0,0,0|2,0,0]=4 709 B11R0.4 CCCCCCCC(O)CCC Amb18803156 [1,1,0,0,0,0|0,0,1]=3 710 B11R0.4 CCCCCCCC(O)CCN Amb32693374 [1,1,0,0,0,0|1,0,0]=3 711 B11R0.4 CCOC(=O)CCCCCC=O Amb8471024 [1,1,0,0,0,0|1,0,1]=4 712 B11R0.40 C=CS(=O)CCCCCCCC Amb1032994 [1,1,0,0,0,0|1,0,1]=4 713 B11R0.40 CCCCCCCCC(=O)CC Amb9024774 [1,1,0,0,0,0|0,0,2]=4 714 B11R0.40 CCCCCCCCC(Br)CBr Amb9787331 [1,1,0,0,0,0|1,0,0]=3 715 B11R0.40 CCCCCCCCC(C)CBr Amb32688274 [1,1,0,0,0,0|1,0,0]=3 716 B11R0.40 CCCCCCCCC(C)CCl Amb32688273 [1,1,0,0,0,0|1,0,0]=3 717 B11R0.40 CCCCCCCCC(N)CO Amb22536244 [1,1,0,0,0,0|0,0,1]=3 718 B11R0.40 CCCCCCCCC(O)CO Amb8517521 [1,1,0,0,0,0|0,0,1]=3 719 B11R0.40 CCCCCCCNC(C)CC Amb7794405 [1,1,0,0,0,0|1,0,1]=4 720 B11R0.40 CCCCCCOCC(O)CCl Amb9787121 [1,1,0,0,0,0|2,0,0]=4 721 B11R0.81 CCCCCCC(C)OCCCl Amb8828496 [1,1,0,0,0,0|2,0,0]=4 722 B11R0.81 CCCCN(C)CCCCCN Amb5357879 [1,1,0,0,0,0|2,0,0]=4 723 B11R0.140 CCCCCC(=O)CCCCC Amb6608883 [1,1,0,0,0,0|0,0,2]=4 724 B11R0.140 CCCCCC(N)CCCCC Amb9620841 [1,1,0,0,0,0|0,0,1]=3 725 B11R0.140 CCCCCC(S)CCCCC Amb32788302 [1,1,0,0,0,0|0,0,1]=3 726 B11R0.140 NCCCCC(F)CCCCN Amb33620813 [1,1,0,0,0,0|2,0,0]=4 727 B11R0.148 C#CCCCCCCCC(=O)O Amb22388895 [1,1,0,0,0,0|0,0,2]=4 728 B11R0.148 C=C(Br)CCCCCCCCC Amb6298936 [1,1,0,0,0,0|0,0,1]=3 729 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [1,1,0,0,0,0|0,0,1]=3 730 B11R0.148 C=C(Cl)CCCCCCCCC Amb6298930 [1,1,0,0,0,0|0,0,1]=3 731 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [1,1,0,0,0,0|0,0,2]=4 732 B11R0.148 CC(=O)OCCCCCCC=O Amb22364796 [1,1,0,0,0,0|1,0,1]=4 733 B11R0.148 CC(C)CCNCCCCCO Amb17334954 [1,1,0,0,0,0|1,0,1]=4 734 B11R0.148 CC(O)CCCCCCCCO Amb33331053 [1,1,0,0,0,0|0,0,1]=3 735 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [1,1,0,0,0,0|0,0,0]=2 736 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [1,1,0,0,0,0|0,0,0]=2 737 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [1,1,0,0,0,0|0,0,0]=2 738 B11R0.148 CCCCCCCCCC(C)C Amb22043228 [1,1,0,0,0,0|0,0,1]=3 739 B11R0.148 CCCCCCCCCC(C)N Amb6366423 [1,1,0,0,0,0|0,0,1]=3 740 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [1,1,0,0,0,0|0,0,0]=2 741 B11R0.148 CCCCCCCCCC(N)=S Amb7794719 [1,1,0,0,0,0|0,1,0]=3 742 B11R0.148 CCCCCCCCCS(=O)Cl Amb32720537 [1,1,0,0,0,0|1,0,0]=3 743 B11R0.148 CCCCCCCCCS(=O)[O-] Amb32755589 [1,1,0,0,0,0|1,0,0]=3 744 B11R0.148 CCCCCCCCCS(N)=O Amb32720538 [1,1,0,0,0,0|1,0,0]=3 745 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [1,1,0,0,0,0|1,0,0]=3 746 B11R0.148 CCCCCCCCNC(N)=S Amb1152183 [1,1,0,0,0,0|1,1,0]=4 747 B11R0.148 CCCCCCCCOC(=O)Cl Amb8515453 [1,1,0,0,0,0|1,0,0]=3 748 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [1,1,0,0,0,0|1,0,0]=3 749 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [1,1,0,0,0,0|1,0,0]=3 750 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [1,1,0,0,0,0|1,0,0]=3 751 B11R0.148 CCCCCCCNCC(C)C Amb7757190 [1,1,0,0,0,0|1,0,1]=4 752 B11R0.148 CCCCCCC\C=C\C(=O)O Amb6336657 [1,1,0,0,0,0|0,0,2]=4 753 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [1,1,0,0,0,0|1,0,0]=3 754 B11R0.148 CCCCCCNCCC(C)C Amb6620655 [1,1,0,0,0,0|1,0,1]=4 755 B11R0.148 CCCCC\C=C\CCC(=O)O Amb24079160 [1,1,0,0,0,0|0,0,2]=4 756 B11R0.148 CCCCOCCOCC(=O)O Amb9204477 [1,1,0,0,0,0|2,0,0]=4 757 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,1,0,0,0,0|1,0,0]=3 758 B11R0.148 CCC\C=C\CCCCC(=O)O Amb24063196 [1,1,0,0,0,0|0,0,2]=4 759 B11R0.148 CCNCCOCCCC(=O)O Amb18110845 [1,1,0,0,0,0|2,0,0]=4 760 B11R0.148 CCOCCOCCCC(=O)O Amb6262117 [1,1,0,0,0,0|2,0,0]=4 761 B11R0.148 CN(C)CCCCCCCCN Amb24117500 [1,1,0,0,0,0|2,0,0]=4 762 B11R0.148 CNCCCNCCCC(=O)O Amb28963363 [1,1,0,0,0,0|2,0,0]=4 763 B11R0.148 CNCCCNCCCC(=O)O Amb33470189 [1,1,0,0,0,0|2,0,0]=4 764 B11R0.148 COCCOCCCCC(=O)O Amb9207792 [1,1,0,0,0,0|2,0,0]=4 765 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [1,1,0,0,0,0|2,0,0]=4 766 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [1,1,0,0,0,0|1,0,0]=3 767 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [1,1,0,0,0,0|1,0,0]=3 768 B13R0.2 C=CCCCCCCCC(=O)OCC Amb30666619 [0,2,0,0,0,0|1,0,1]=4 769 B13R0.2 C=COC(=O)CCCCCCCCC Amb17672564 [0,2,0,0,0,0|1,0,1]=4 770 B13R0.2 CCCCCCCCCC(=O)CCC Amb9031610 [0,2,0,0,0,0|1,0,1]=4 771 B13R0.2 CCCCCCCCCC(C)CC=O Amb33421993 [0,2,0,0,0,0|0,0,0]=2 772 B13R0.2 CCCCCCCCCC(C)CCO Amb33321507 [0,2,0,0,0,0|0,0,2]=4 773 B13R0.2 CCCCCCCCCC(O)CCO Amb24081769 [0,2,0,0,0,0|0,0,2]=4 774 B13R0.2 CCCCCCCCNC(C)COC Amb7757669 [0,2,0,0,0,0|2,0,0]=4 775 B13R0.2 CCOC(=O)CCCCCCCC=O Amb30666661 [0,2,0,0,0,0|0,0,1]=3 776 B13R0.66 CCCCCCCCS(=O)CCCCl Amb22731437 [0,2,0,0,0,0|1,0,1]=4 777 B13R0.88 CCCC(=O)NCCCCCC(=O)O Amb6251697 [0,2,0,0,0,0|1,0,1]=4 778 B13R0.88 CCOC(=O)CCCCCCC(=O)O Amb8471020 [0,2,0,0,0,0|1,0,1]=4 779 B13R0.335 CCCCCCCCC(C)CC(=O)O Amb28653289 [0,2,0,0,0,0|0,0,0]=2 780 B13R0.335 CCCCCCCOC(=O)CC(C)=O Amb9787148 [0,2,0,0,0,0|1,0,1]=4 781 B13R0.340 CCCCCCCCC(F)[C@@H](O)CO Amb24122594 [0,2,0,0,0,0|0,0,2]=4 782 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [0,2,0,0,0,0|0,0,1]=3 783 B13R0.54 C=CCCCCCCCCOC(C)=O Amb10563791 [0,2,0,0,0,0|0,0,2]=4 784 B13R0.54 CC(C)CCCCCCCCCCO Amb22055767 [0,2,0,0,0,0|0,0,2]=4 785 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [0,2,0,0,0,0|0,0,0]=2 786 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [0,2,0,0,0,0|0,0,0]=2 787 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [0,2,0,0,0,0|0,0,0]=2 788 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [0,2,0,0,0,0|0,0,0]=2 789 B13R0.54 CCCCCCCCCCCC(C)Br Amb22734063 [0,2,0,0,0,0|1,0,1]=4 790 B13R0.54 CCCCCCCCCCCC(C)N Amb21953727 [0,2,0,0,0,0|1,0,1]=4 791 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [0,2,0,0,0,0|0,0,0]=2 792 B13R0.54 CCCCCCCCCCCC(N)=S Amb13953232 [0,2,0,0,0,0|0,1,0]=3 793 B13R0.54 CCCCCCCCCCCN(C)C Amb8516600 [0,2,0,0,0,0|1,0,1]=4 794 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,2,0,0,0,0|0,0,0]=2 795 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [0,2,0,0,0,0|0,0,1]=3 796 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [0,2,0,0,0,0|0,0,1]=3 797 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,2,0,0,0,0|0,0,0]=2 798 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [0,2,0,0,0,0|0,0,0]=2 799 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [0,2,0,0,0,0|1,0,0]=3 800 B13R0.54 CCCCOCCOCCOC(C)=O Amb8516522 [0,2,0,0,0,0|2,0,0]=4 801 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,2,0,0,0,0|0,0,0]=2 802 B13R0.54 CCCC\C=C/CCCCOC(C)=O Amb4025835 [0,2,0,0,0,0|0,0,2]=4 803 B13R0.54 CN(C)CCCCCCCCCCN Amb24117501 [0,2,0,0,0,0|1,0,1]=4 804 B13R0.54 COCCOCCOCCCC(=O)O Amb32667431 [0,2,0,0,0,0|2,0,0]=4 805 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [0,2,0,0,0,0|0,0,1]=3 806 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,2,0,0,0,0|0,0,0]=2 807 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [0,2,0,0,0,0|0,0,0]=2 808 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [0,2,0,0,0,0|0,0,0]=2 809 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [0,2,0,0,0,0|0,0,0]=2 810 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [0,2,0,0,0,0|0,0,0]=2 811 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [0,2,0,0,0,0|0,0,0]=2 812 B13R0.54 [N-]=[N+]=NCCCCCCCCC(=O)O Amb34913620 [0,2,0,0,0,0|2,0,0]=4 813 B13R0.147 C=CC(=O)OCCCCCCCCC Amb20670989 [0,2,0,0,0,0|1,0,0]=3 814 B13R0.147 C=CCCCCCCCCC(=O)NN Amb6393023 [0,2,0,0,0,0|0,0,2]=4 815 B13R0.147 C=CCCCCCCCCC(=O)OC Amb612439 [0,2,0,0,0,0|0,0,2]=4 816 B13R0.147 CC#CCCCCCCCC(=O)OC Amb22641576 [0,2,0,0,0,0|0,0,2]=4 817 B13R0.147 CCCCCCCCCCC(=O)NN Amb534278 [0,2,0,0,0,0|0,0,0]=2 818 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,2,0,0,0,0|0,0,0]=2 819 B13R0.147 CCCCCCCCCCC(Br)CBr Amb9787291 [0,2,0,0,0,0|1,0,1]=4 820 B13R0.147 CCCCCCCCCCC(C)C=O Amb32671323 [0,2,0,0,0,0|0,0,0]=2 821 B13R0.147 CCCCCCCCCCC(C)CBr Amb30988003 [0,2,0,0,0,0|1,0,1]=4 822 B13R0.147 CCCCCCCCCCC(C)CO Amb30988002 [0,2,0,0,0,0|0,0,2]=4 823 B13R0.147 CCCCCCCCCCC(Cl)CCl Amb9787269 [0,2,0,0,0,0|1,0,1]=4 824 B13R0.147 CCCCCCCCCCC(O)CO Amb22002456 [0,2,0,0,0,0|0,0,2]=4 825 B13R0.147 CCCCCCCCCNC(=O)CCl Amb17797886 [0,2,0,0,0,0|1,0,0]=3 826 B13R0.147 CCCCCCCCCNC(C)CC Amb7794406 [0,2,0,0,0,0|1,0,1]=4 827 B13R0.147 CCCCCCCCOCC(O)CO Amb4458899 [0,2,0,0,0,0|0,0,2]=4 828 B13R0.147 CCCCCCCNCCC(=O)NC Amb18333360 [0,2,0,0,0,0|1,0,0]=3 829 B13R0.147 CCCCCCCNCCC(=O)NN Amb20171959 [0,2,0,0,0,0|1,0,0]=3 830 B13R0.147 COC(=O)CCCCCCCCC=O Amb9787740 [0,2,0,0,0,0|0,0,1]=3 831 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [0,2,0,0,0,0|1,0,0]=3 832 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [0,2,0,0,0,0|1,0,0]=3 833 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [0,2,0,0,0,0|1,0,0]=3 834 B13R0.147 C\C=C\CCCCCCCC(=O)OC Amb22641574 [0,2,0,0,0,0|0,0,2]=4 835 B13R0.147 NCCCCCCCCNC(=O)CBr Amb19981082 [0,2,0,0,0,0|2,0,0]=4 836 B13R0.165 CCCCCCC(=O)CCCCCC Amb1158882 [0,2,0,0,0,0|1,0,1]=4 837 B13R0.165 CCCCCCC(N)COCCOC Amb32716396 [0,2,0,0,0,0|2,0,0]=4 838 B13R0.165 CCCCCCC(O)COCCOC Amb32716372 [0,2,0,0,0,0|2,0,0]=4 839 B13R0.336 BrCCCCCCCCCCCCBr Amb8513538 [0,2,0,0,0,0|1,0,1]=4 840 B13R0.336 C=CCSCCCCCCCCCC Amb9787753 [0,2,0,0,0,0|1,0,0]=3 841 B13R0.336 CCCCCCCCCCCCCBr Amb16234183 [0,2,0,0,0,0|1,0,1]=4 842 B13R0.336 CCCCCCCCCCCCCC Amb8513726 [0,2,0,0,0,0|1,0,1]=4 843 B13R0.336 CCCCCCCCCCCCCCl Amb9787118 [0,2,0,0,0,0|1,0,1]=4 844 B13R0.336 CCCCCCCCCCCCCN Amb8513364 [0,2,0,0,0,0|1,0,1]=4 845 B13R0.336 CCCCCCCCCCCCCO Amb2748034 [0,2,0,0,0,0|0,0,2]=4 846 B13R0.336 CCCCCCCCCCCCNC Amb3941528 [0,2,0,0,0,0|1,0,1]=4 847 B13R0.336 CCCCCCCCCCCCON Amb24117984 [0,2,0,0,0,0|0,0,2]=4 848 B13R0.336 CCCCCCCCCCCN=C=S Amb19883893 [0,2,0,0,0,0|0,1,1]=4 849 B13R0.336 CCCCCCCCCCCSCC Amb32410616 [0,2,0,0,0,0|0,1,1]=4 850 B13R0.336 CCCCCCCCCCNCCC Amb9787079 [0,2,0,0,0,0|1,0,1]=4 851 B13R0.336 CCCCCCCCCCNCCN Amb18333779 [0,2,0,0,0,0|1,0,1]=4 852 B13R0.336 CCCCCCCCCCNCCO Amb9787053 [0,2,0,0,0,0|0,0,2]=4 853 B13R0.336 CCCCCCCCCCOCCCl Amb9787198 [0,2,0,0,0,0|1,0,1]=4 854 B13R0.336 CCCCCCCCCCSCCO Amb1032989 [0,2,0,0,0,0|0,0,2]=4 855 B13R0.336 CCCCCCCCCC\C=C\C#N Amb6600578 [0,2,0,0,0,0|1,0,0]=3 856 B13R0.336 CCCCCCCCCNCCOC Amb7794404 [0,2,0,0,0,0|0,0,2]=4 857 B13R0.336 CCCCCCCOCCOCCCl Amb9786143 [0,2,0,0,0,0|1,0,1]=4 858 B13R0.336 CCCCCCSSCCCCCC Amb6366453 [0,2,0,0,0,0|1,0,1]=4 859 B13R0.336 CCCOCCOCCCCCCCl Amb33620488 [0,2,0,0,0,0|1,0,1]=4 860 B13R0.336 CNCCCCCCCCCCCO Amb32653434 [0,2,0,0,0,0|0,0,2]=4 861 B13R0.336 ClCCCCCCCCCCCCCl Amb8514863 [0,2,0,0,0,0|1,0,1]=4 862 B13R0.336 N#CCCCCCCCCCCCBr Amb31031008 [0,2,0,0,0,0|1,0,1]=4 863 B13R0.336 NCCCCCCCCCCCCN Amb9786762 [0,2,0,0,0,0|1,0,1]=4 864 B13R0.336 NCCCCCCCCCCCCO Amb17608041 [0,2,0,0,0,0|0,0,2]=4 865 B13R0.336 O=CCCCCCCCCCCC=O Amb33456151 [0,2,0,0,0,0|0,0,0]=2 866 B13R0.336 OCCCCCCCCCCCCBr Amb2694964 [0,2,0,0,0,0|0,0,2]=4 867 B13R0.336 OCCCCCCCCCCCCO Amb9787352 [0,2,0,0,0,0|0,0,2]=4 868 B13R0.336 OCCCCCOCCCCCCCl Amb33719428 [0,2,0,0,0,0|0,0,2]=4 869 B13R0.336 SCCCCCCCCCCCCBr Amb32663658 [0,2,0,0,0,0|0,1,1]=4 870 B13R0.336 [N-]=[N+]=NCCCCCCCCCCN Amb34912554 [0,2,0,0,0,0|2,0,0]=4 871 B13R0.336 [N-]=[N+]=NCCCCCCCCCCO Amb17608636 [0,2,0,0,0,0|2,0,0]=4 872 B13R0.338 CCCCCCCC(C)NCCCO Amb7795535 [0,2,0,0,0,0|0,0,2]=4 873 B13R0.188 CCCCCC(=O)CCCCC(=O)O Amb6305236 [0,2,0,0,0,0|0,0,1]=3 874 B13R0.119 CCCCC(=O)CCCCCC(=O)O Amb6305233 [0,2,0,0,0,0|0,0,1]=3 875 B13R0.154 CCCCCCCC(=O)NCC(=O)O Amb3998086 [0,2,0,0,0,0|1,0,1]=4 876 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] Amb19148937 [0,2,0,0,0,0|0,0,0]=2 877 B13R0.154 CCCCCCNC(=O)CCC(N)=O Amb17143236 [0,2,0,0,0,0|1,0,1]=4 878 B13R0.150 CCCCCCCCCC(C)C(=O)O Amb18320092 [0,2,0,0,0,0|0,0,0]=2 879 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O Amb34139108 [0,2,0,0,0,0|0,0,0]=2 880 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O Amb34152043 [0,2,0,0,0,0|0,0,0]=2 881 B13R0.150 CCCCCCCCNC(=O)C(=O)O Amb28653366 [0,2,0,0,0,0|1,0,1]=4 882 B13R0.179 CC(Br)CCCCCCCCC(=O)O Amb8487858 [0,2,0,0,0,0|0,0,0]=2 883 B13R0.179 CC(C)OCCOCCCCC(=O)O Amb9207797 [0,2,0,0,0,0|2,0,0]=4 884 B13R0.179 NC(=O)CCCCCCCCC(N)=O Amb6366826 [0,2,0,0,0,0|1,0,1]=4 885 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl Amb6608951 [0,2,0,0,0,0|1,0,1]=4 886 B13R0.179 O=C(O)CCCCCCCCC(=O)O Amb4037061 [0,2,0,0,0,0|1,0,1]=4 887 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] Amb22168122 [0,2,0,0,0,0|1,0,1]=4 888 B13R0.202 COC(=O)CCCCCCCC(=O)O Amb2099653 [0,2,0,0,0,0|1,0,1]=4 889 B13R0.202 O=C(O)CCCCCCCC(F)CBr Amb22547613 [0,2,0,0,0,0|1,0,0]=3 890 B13R0.280 CCCCCCCCCCC(C)(C)O Amb33330860 [0,2,0,0,0,0|0,0,2]=4 891 B13R0.280 CCCCCCCCCCP(=O)(O)O Amb9786421 [0,2,0,0,0,0|1,0,0]=3 892 B13R0.280 CCCCCCCCCCP(C)(C)=O Amb1239581 [0,2,0,0,0,0|1,0,0]=3 893 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl Amb8517441 [0,2,0,0,0,0|1,0,0]=3 894 B13R0.280 CCCCCCCCCCS(=O)(=O)F Amb33352607 [0,2,0,0,0,0|1,0,0]=3 895 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] Amb2686676 [0,2,0,0,0,0|1,0,0]=3 896 B13R0.280 CCCCCCCCCCS(N)(=O)=O Amb9789393 [0,2,0,0,0,0|1,0,0]=3 897 B13R0.280 CCCCCCCCCC[N+](C)(C)C Amb8383488 [0,2,0,0,0,0|2,0,0]=4 898 B13R0.280 CCCCCCCCCC[N+](C)(C)C Amb8383489 [0,2,0,0,0,0|2,0,0]=4 899 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] Amb22265088 [0,2,0,0,0,0|1,0,1]=4 900 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl Amb2686678 [0,2,0,0,0,0|1,1,0]=4 901 B13R0.280 CCCCCCCOCCS(=O)(=O)Cl Amb32940028 [0,2,0,0,0,0|2,0,0]=4 902 B13R0.280 CCCCCCOCCCS(=O)(=O)Cl Amb32939915 [0,2,0,0,0,0|2,0,0]=4 903 B13R0.280 CCCCCOCCCCS(=O)(=O)Cl Amb32940399 [0,2,0,0,0,0|2,0,0]=4 904 B13R0.280 CCCCOCCCCCS(=O)(=O)Cl Amb32939832 [0,2,0,0,0,0|2,0,0]=4 905 B13R0.280 CCCOCCCCCCS(=O)(=O)Cl Amb32939865 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.4 BrCCCCCC1CCCC1 Amb33005083 [1,0,0,1,0,0|1,0,0]=3 907 B11R1.4 BrCCCCCC1CCCO1 Amb32688248 [1,0,0,1,0,0|1,0,1]=4 908 B11R1.4 BrCCCCCC1CCOC1 Amb32690149 [1,0,0,1,0,0|2,0,0]=4 909 B11R1.4 BrCCCCCN1CCCC1 Amb33005047 [1,0,0,1,0,0|2,0,0]=4 910 B11R1.4 BrCCCCCN1CCCC1 Amb33624785 [1,0,0,1,0,0|2,0,0]=4 911 B11R1.4 BrCCCCOC1CCCC1 Amb8855441 [1,0,0,1,0,0|2,0,0]=4 912 B11R1.4 C#CCCCCC1CCCC1 Amb33380242 [1,0,0,1,0,0|0,0,2]=4 913 B11R1.4 CCCCCCC1CCCN1 Amb2235790 [1,0,0,1,0,0|1,0,0]=3 914 B11R1.4 CCCCCCC1CCCO1 Amb10558596 [1,0,0,1,0,0|0,0,1]=3 915 B11R1.4 CCCCCNC1CCCC1 Amb6688081 [1,0,0,1,0,0|1,0,1]=4 916 B11R1.4 CCCCNCC1CCCO1 Amb4313709 [1,0,0,1,0,0|1,0,1]=4 917 B11R1.4 CCCCOCC1CCCN1 Amb32430276 [1,0,0,1,0,0|2,0,0]=4 918 B11R1.4 CNCCCCC1CCCC1 Amb33448409 [1,0,0,1,0,0|1,0,1]=4 919 B11R1.4 ClCCCCCC1CCCO1 Amb32688218 [1,0,0,1,0,0|1,0,1]=4 920 B11R1.4 ClCCCCCC1CCOC1 Amb32690148 [1,0,0,1,0,0|2,0,0]=4 921 B11R1.4 ClCCCCOC1CCCC1 Amb18184123 [1,0,0,1,0,0|2,0,0]=4 922 B11R1.4 N#CCCCCC1CCCC1 Amb33374908 [1,0,0,1,0,0|1,0,1]=4 923 B11R1.4 NCCCCCC1CCCC1 Amb18200303 [1,0,0,1,0,0|1,0,0]=3 924 B11R1.4 NCCCCCN1CCCC1 Amb22728865 [1,0,0,1,0,0|2,0,0]=4 925 B11R1.4 NCCCCCN1CCCC1 Amb5357881 [1,0,0,1,0,0|2,0,0]=4 926 B11R1.4 NCCCOCC1CCCC1 Amb18797162 [1,0,0,1,0,0|2,0,0]=4 927 B11R1.4 NCCOCCC1CCCC1 Amb33481730 [1,0,0,1,0,0|2,0,0]=4 928 B11R1.4 NOCCCCC1CCCC1 Amb33374554 [1,0,0,1,0,0|2,0,0]=4 929 B11R1.4 O=C=NCCCC1CCCC1 Amb26083705 [1,0,0,1,0,0|1,0,1]=4 930 B11R1.4 O=CCCCCC1CCCC1 Amb33358714 [1,0,0,1,0,0|0,0,0]=2 931 B11R1.4 O=CCCCCN1CCCC1 Amb33225870 [1,0,0,1,0,0|1,0,0]=3 932 B11R1.4 O=CNCCCC1CCCN1 Amb27989289 [1,0,0,1,0,0|2,0,0]=4 933 B11R1.4 O=CNCCCC1CCNC1 Amb27989293 [1,0,0,1,0,0|2,0,0]=4 934 B11R1.4 O=CNCCCN1CCCC1 Amb28386791 [1,0,0,1,0,0|2,0,0]=4 935 B11R1.4 O=CNCCOC1CCCC1 Amb27818501 [1,0,0,1,0,0|2,0,0]=4 936 B11R1.4 O=C\C=C\CCC1CCCC1 Amb33374529 [1,0,0,1,0,0|0,0,2]=4 937 B11R1.4 OCCCCCC1CCCC1 Amb33358865 [1,0,0,1,0,0|0,0,1]=3 938 B11R1.4 OCCCCCN1CCCC1 Amb17334420 [1,0,0,1,0,0|1,0,1]=4 939 B11R1.4 OCCCNCC1CCCC1 Amb18177551 [1,0,0,1,0,0|1,0,1]=4 940 B11R1.4 SCCCCCC1CCCC1 Amb33379887 [1,0,0,1,0,0|0,1,0]=3 941 B11R1.4 SCCCCCN1CCCC1 Amb32954137 [1,0,0,1,0,0|1,1,0]=4 942 B11R1.4 [C-]#[N+]CCCCC1CCCC1 Amb33374569 [1,0,0,1,0,0|1,0,1]=4 943 B11R1.5 C=C1CCCCCC1CCO Amb27829924 [1,0,0,1,0,0|1,0,1]=4 944 B11R1.5 C=CCC1CCCCCC1=O Amb18181756 [1,0,0,1,0,0|0,0,2]=4 945 B11R1.5 C=CCC1CCCCCC1Cl Amb18185761 [1,0,0,1,0,0|1,0,1]=4 946 B11R1.5 C=CCC1CCCCCC1O Amb18182944 [1,0,0,1,0,0|1,0,1]=4 947 B11R1.5 C=CC[C@@H]1CCCCC[C@H]1O Amb25968545 [1,0,0,1,0,0|1,0,1]=4 948 B11R1.5 CC1CCCCCC1CCN Amb27639026 [1,0,0,1,0,0|1,0,0]=3 949 B11R1.5 CC1CCCCCN1CCF Amb28187917 [1,0,0,1,0,0|2,0,0]=4 950 B11R1.5 CC1CCCCCN1CCI Amb27840345 [1,0,0,1,0,0|2,0,0]=4 951 B11R1.5 CC1CCSCCN1CC=O Amb27786524 [1,0,0,1,0,0|2,0,0]=4 952 B11R1.5 CC1COCCCN1CC=O Amb28195623 [1,0,0,1,0,0|2,0,0]=4 953 B11R1.5 CCCC1CCCCCC1Br Amb27809042 [1,0,0,1,0,0|1,0,0]=3 954 B11R1.5 CCCC1CCCCCC1Cl Amb28291245 [1,0,0,1,0,0|1,0,0]=3 955 B11R1.5 CCCC1CCCCCC1O Amb18799751 [1,0,0,1,0,0|0,0,1]=3 956 B11R1.5 CCCC1CSCCNC1=O Amb28284783 [1,0,0,1,0,0|2,0,0]=4 957 B11R1.5 CCCC1NCCCNC1=O Amb32719912 [1,0,0,1,0,0|2,0,0]=4 958 B11R1.5 CCCN1CCCNCC1=O Amb22549346 [1,0,0,1,0,0|2,0,0]=4 959 B11R1.5 CCCN1CCNCCC1=O Amb22498695 [1,0,0,1,0,0|2,0,0]=4 960 B11R1.5 CCC[C@@H]1CCCCC[C@H]1O Amb24675468 [1,0,0,1,0,0|0,0,1]=3 961 B11R1.5 CCC[C@H]1NCCCNC1=O Amb32719924 [1,0,0,1,0,0|2,0,0]=4 962 B11R1.5 CCOC1CCCCCC1Br Amb24418269 [1,0,0,1,0,0|2,0,0]=4 963 B11R1.5 CCOC1CCCCCC1I Amb27590958 [1,0,0,1,0,0|2,0,0]=4 964 B11R1.5 CCO[C@@H]1CCCCC[C@H]1N Amb33339088 [1,0,0,1,0,0|2,0,0]=4 965 B11R1.5 CN1CCCCCC1CCN Amb27264633 [1,0,0,1,0,0|2,0,0]=4 966 B11R1.5 CN1CCCCCC1CCO Amb28126475 [1,0,0,1,0,0|1,0,1]=4 967 B11R1.5 COCC1CCCCCC1O Amb26871984 [1,0,0,1,0,0|1,0,1]=4 968 B11R1.5 COCC1CCCCNC1=O Amb25093894 [1,0,0,1,0,0|2,0,0]=4 969 B11R1.5 COC[C@@H]1CCCCC[C@H]1O Amb33213541 [1,0,0,1,0,0|1,0,1]=4 970 B11R1.5 C[C@@H]1CCOCC[C@H]1OC=O Amb25257191 [1,0,0,1,0,0|2,0,0]=4 971 B11R1.5 NCCC1CCCCCC1=O Amb18200342 [1,0,0,1,0,0|1,0,0]=3 972 B11R1.5 NCCC1CCCCCC1F Amb28199101 [1,0,0,1,0,0|2,0,0]=4 973 B11R1.5 NCCC1CCCCCC1O Amb18199945 [1,0,0,1,0,0|1,0,1]=4 974 B11R1.5 NCCN1CCCCCC1=O Amb10610308 [1,0,0,1,0,0|2,0,0]=4 975 B11R1.5 NCCN1CCCCCC1=O Amb6252150 [1,0,0,1,0,0|2,0,0]=4 976 B11R1.5 NCCN1CCCCCC1=O Amb7969849 [1,0,0,1,0,0|2,0,0]=4 977 B11R1.5 O=C1CCCCCC1CCO Amb27395084 [1,0,0,1,0,0|1,0,0]=3 978 B11R1.5 O=C1CCCCCN1CCO Amb9370344 [1,0,0,1,0,0|2,0,0]=4 979 B11R1.5 O=C1NCCCCC1CCO Amb26456499 [1,0,0,1,0,0|2,0,0]=4 980 B11R1.5 O=CCC1OCCCCC1O Amb28350808 [1,0,0,1,0,0|2,0,0]=4 981 B11R1.5 O=COC1CCCCCC1Cl Amb27444181 [1,0,0,1,0,0|2,0,0]=4 982 B11R1.5 OC1CCCCCC1CCF Amb28363868 [1,0,0,1,0,0|1,0,1]=4 983 B11R1.17 C=C1CCCCC1CCC=O Amb28239533 [1,0,0,1,0,0|0,0,2]=4 984 B11R1.17 C=C1CCCCC1CCCBr Amb27654983 [1,0,0,1,0,0|1,0,1]=4 985 B11R1.17 C=CCCC1CCCCC1Br Amb28079317 [1,0,0,1,0,0|1,0,1]=4 986 B11R1.17 C=CCCC1CCCCC1O Amb25227048 [1,0,0,1,0,0|1,0,1]=4 987 B11R1.17 C=CCC[C@@H]1CCCC[C@H]1O Amb27793096 [1,0,0,1,0,0|1,0,1]=4 988 B11R1.17 C=CCNC1CCCCC1C Amb4304020 [1,0,0,1,0,0|1,0,1]=4 989 B11R1.17 C=CCN[C@@H]1CCCC[C@@H]1C Amb27633906 [1,0,0,1,0,0|1,0,1]=4 990 B11R1.17 C=CCN[C@H]1CCCC[C@H]1C Amb27462045 [1,0,0,1,0,0|1,0,1]=4 991 B11R1.17 CC1=C(CCC=O)CCCC1 Amb27592943 [1,0,0,1,0,0|0,0,2]=4 992 B11R1.17 CC1CCCCC1CCCN Amb28135308 [1,0,0,1,0,0|1,0,0]=3 993 B11R1.17 CC1CCCCC1NCCBr Amb28319772 [1,0,0,1,0,0|2,0,0]=4 994 B11R1.17 CC1CCCCC1NCCF Amb27413393 [1,0,0,1,0,0|2,0,0]=4 995 B11R1.17 CC1CCCCC1NCCO Amb6712645 [1,0,0,1,0,0|1,0,1]=4 996 B11R1.17 CC1CCCCC1NCCS Amb28293920 [1,0,0,1,0,0|1,1,0]=4 997 B11R1.17 CC1CCCCC1OCC=O Amb18183071 [1,0,0,1,0,0|1,0,0]=3 998 B11R1.17 CC1CCCCC1OCCBr Amb6255500 [1,0,0,1,0,0|2,0,0]=4 999 B11R1.17 CC1CCCCC1OCCCl Amb8828472 [1,0,0,1,0,0|2,0,0]=4 1000 B11R1.17 CC1CCCCC1OCCN Amb9711437 [1,0,0,1,0,0|2,0,0]=4 1001 B11R1.17 CC1CCCCC1\C=C\C=O Amb24513220 [1,0,0,1,0,0|0,0,2]=4 1002 B11R1.17 CC1CCCCN1CCCCl Amb17335100 [1,0,0,1,0,0|2,0,0]=4 1003 B11R1.17 CC1CCCCN1CCCN Amb3939840 [1,0,0,1,0,0|2,0,0]=4 1004 B11R1.17 CC1CCCCN1CCCO Amb3939429 [1,0,0,1,0,0|1,0,1]=4 1005 B11R1.17 CC1CCCNC1CCCN Amb30007640 [1,0,0,1,0,0|2,0,0]=4 1006 B11R1.17 CC1CNCCN1CCC=O Amb27419928 [1,0,0,1,0,0|2,0,0]=4 1007 B11R1.17 CC1CSCCN1CCC=O Amb27872905 [1,0,0,1,0,0|2,0,0]=4 1008 B11R1.17 CC1NCCCC1CCCN Amb27389996 [1,0,0,1,0,0|2,0,0]=4 1009 B11R1.17 CCCCC1CCCCC1=O Amb3940594 [1,0,0,1,0,0|0,0,0]=2 1010 B11R1.17 CCCCC1CCCCC1C Amb24484363 [1,0,0,1,0,0|0,0,1]=3 1011 B11R1.17 CCCCC1CCCCC1O Amb3354798 [1,0,0,1,0,0|0,0,1]=3 1012 B11R1.17 CCCCC1CCCNC1C Amb25989636 [1,0,0,1,0,0|1,0,1]=4 1013 B11R1.17 CCCCC1CCNCC1C Amb25096286 [1,0,0,1,0,0|1,0,1]=4 1014 B11R1.17 CCCCC1CCNCC1N Amb24566143 [1,0,0,1,0,0|2,0,0]=4 1015 B11R1.17 CCCCC1CNCCC1C Amb26512801 [1,0,0,1,0,0|1,0,1]=4 1016 B11R1.17 CCCCC1CNCCC1N Amb24565409 [1,0,0,1,0,0|2,0,0]=4 1017 B11R1.17 CCCCC1COCCC1Br Amb27235549 [1,0,0,1,0,0|2,0,0]=4 1018 B11R1.17 CCCCC1NCCCC1C Amb25690783 [1,0,0,1,0,0|1,0,1]=4 1019 B11R1.17 CCCCC1NCCCC1N Amb33500836 [1,0,0,1,0,0|2,0,0]=4 1020 B11R1.17 CCCCC1NCCCC1O Amb27176604 [1,0,0,1,0,0|1,0,1]=4 1021 B11R1.17 CCCCC1NCCNC1=O Amb18989085 [1,0,0,1,0,0|2,0,0]=4 1022 B11R1.17 CCCCC1OCCCC1O Amb27651657 [1,0,0,1,0,0|1,0,1]=4 1023 B11R1.17 CCCCN1CCCCC1=S Amb24589190 [1,0,0,1,0,0|1,1,0]=4 1024 B11R1.17 CCCCN1CCNCC1=O Amb10607569 [1,0,0,1,0,0|2,0,0]=4 1025 B11R1.17 CCCC[C@@H]1CCCC[C@@H]1O Amb25933579 [1,0,0,1,0,0|0,0,1]=3 1026 B11R1.17 CCCC[C@@H]1CCCC[C@H]1N Amb28457366 [1,0,0,1,0,0|1,0,0]=3 1027 B11R1.17 CCCC[C@@H]1CCCC[C@H]1O Amb26614644 [1,0,0,1,0,0|0,0,1]=3 1028 B11R1.17 CCCC[C@@H]1CCNC[C@H]1N Amb28385546 [1,0,0,1,0,0|2,0,0]=4 1029 B11R1.17 CCCC[C@@H]1NCCC[C@@H]1C Amb28400060 [1,0,0,1,0,0|1,0,1]=4 1030 B11R1.17 CCCC[C@@H]1NCCC[C@@H]1O Amb27965046 [1,0,0,1,0,0|1,0,1]=4 1031 B11R1.17 CCCC[C@@H]1OCCC[C@H]1O Amb27852842 [1,0,0,1,0,0|1,0,1]=4 1032 B11R1.17 CCCC[C@H]1NCCC[C@@H]1O Amb27213987 [1,0,0,1,0,0|1,0,1]=4 1033 B11R1.17 CCCNC1CCCCC1C Amb6261656 [1,0,0,1,0,0|1,0,1]=4 1034 B11R1.17 CCCNC1CCCCC1N Amb23559103 [1,0,0,1,0,0|2,0,0]=4 1035 B11R1.17 CCCNC1CCCCC1O Amb844924 [1,0,0,1,0,0|1,0,1]=4 1036 B11R1.17 CCCNC1CCCCC1S Amb18647769 [1,0,0,1,0,0|1,1,0]=4 1037 B11R1.17 CCCN[C@@H]1CCCC[C@@H]1O Amb23263413 [1,0,0,1,0,0|1,0,1]=4 1038 B11R1.17 CCCN[C@@H]1CCCC[C@H]1C Amb28051950 [1,0,0,1,0,0|1,0,1]=4 1039 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O Amb10608055 [1,0,0,1,0,0|1,0,1]=4 1040 B11R1.17 CCCOC1CCCCC1Br Amb26629820 [1,0,0,1,0,0|2,0,0]=4 1041 B11R1.17 CCCOC1CCCCC1Cl Amb27454968 [1,0,0,1,0,0|2,0,0]=4 1042 B11R1.17 CCCOC1CCCCC1I Amb25893297 [1,0,0,1,0,0|2,0,0]=4 1043 B11R1.17 CCCOC1CCCCC1O Amb18183283 [1,0,0,1,0,0|1,0,1]=4 1044 B11R1.17 CCCO[C@@H]1CCCC[C@H]1N Amb33744134 [1,0,0,1,0,0|2,0,0]=4 1045 B11R1.17 CCCO[C@@H]1CCCC[C@H]1O Amb28319930 [1,0,0,1,0,0|1,0,1]=4 1046 B11R1.17 CCCS[C@@H]1CCCC[C@H]1O Amb25699949 [1,0,0,1,0,0|1,0,1]=4 1047 B11R1.17 CCCS[C@H]1CCCC[C@@H]1O Amb27822957 [1,0,0,1,0,0|1,0,1]=4 1048 B11R1.17 CCC\C=C1/CCCCC1=O Amb3372069 [1,0,0,1,0,0|0,0,2]=4 1049 B11R1.17 CCNCC1CCCCC1O Amb18644960 [1,0,0,1,0,0|1,0,1]=4 1050 B11R1.17 CCOCC1CCCCC1=O Amb27399156 [1,0,0,1,0,0|1,0,0]=3 1051 B11R1.17 CCOCC1CCCCC1Cl Amb28289871 [1,0,0,1,0,0|2,0,0]=4 1052 B11R1.17 CCOCC1CCCCC1O Amb26996081 [1,0,0,1,0,0|1,0,1]=4 1053 B11R1.17 CCOC[C@@H]1CCCC[C@H]1O Amb26970539 [1,0,0,1,0,0|1,0,1]=4 1054 B11R1.17 CN1CCCCC1CCC=O Amb33322456 [1,0,0,1,0,0|1,0,0]=3 1055 B11R1.17 CN1CCCCC1CCCBr Amb33434051 [1,0,0,1,0,0|2,0,0]=4 1056 B11R1.17 CN1CCCCC1CCCCl Amb27635346 [1,0,0,1,0,0|2,0,0]=4 1057 B11R1.17 CN1CCCCC1CCCN Amb18830694 [1,0,0,1,0,0|2,0,0]=4 1058 B11R1.17 CN1CCCCC1CCCO Amb25846934 [1,0,0,1,0,0|1,0,1]=4 1059 B11R1.17 CN1CCCCC1CCCS Amb33322431 [1,0,0,1,0,0|1,1,0]=4 1060 B11R1.17 CNCCC1CCCCC1F Amb28135872 [1,0,0,1,0,0|2,0,0]=4 1061 B11R1.17 CNCCC1CCCCC1N Amb27776146 [1,0,0,1,0,0|2,0,0]=4 1062 B11R1.17 CNCCC1CCCCC1O Amb28077324 [1,0,0,1,0,0|1,0,1]=4 1063 B11R1.17 CNCCN1CCCCC1=O Amb10607655 [1,0,0,1,0,0|2,0,0]=4 1064 B11R1.17 CNCCN1CCCCC1=O Amb8503381 [1,0,0,1,0,0|2,0,0]=4 1065 B11R1.17 COCCC1CCCCC1Cl Amb18808936 [1,0,0,1,0,0|2,0,0]=4 1066 B11R1.17 COCCC1CCCNC1=O Amb28313285 [1,0,0,1,0,0|2,0,0]=4 1067 B11R1.17 COCCC1COCCC1=O Amb27628599 [1,0,0,1,0,0|2,0,0]=4 1068 B11R1.17 COCC[C@@H]1CCCC[C@@H]1O Amb27978371 [1,0,0,1,0,0|1,0,1]=4 1069 B11R1.17 COCC[C@@H]1CCCC[C@H]1O Amb27197114 [1,0,0,1,0,0|1,0,1]=4 1070 B11R1.17 COCC[C@H]1CCCCC1=O Amb27974073 [1,0,0,1,0,0|1,0,0]=3 1071 B11R1.17 COCOC1CCCCC1=O Amb27750289 [1,0,0,1,0,0|2,0,0]=4 1072 B11R1.17 CSCCC1CCCNC1=O Amb27949745 [1,0,0,1,0,0|2,0,0]=4 1073 B11R1.17 C[C@@H]1CCCCN1CCCN Amb25807782 [1,0,0,1,0,0|2,0,0]=4 1074 B11R1.17 C[C@@H]1CCCN[C@@H]1CCCN Amb35682241 [1,0,0,1,0,0|2,0,0]=4 1075 B11R1.17 C[C@H]1CCCC[C@H]1OCCO Amb27220257 [1,0,0,1,0,0|1,0,1]=4 1076 B11R1.17 N#CCCC1CCCCC1=O Amb2720475 [1,0,0,1,0,0|1,0,1]=4 1077 B11R1.17 NCCCC1CCCCC1=O Amb18251486 [1,0,0,1,0,0|1,0,0]=3 1078 B11R1.17 NCCCC1CCCCC1O Amb9783182 [1,0,0,1,0,0|1,0,1]=4 1079 B11R1.17 NCCCC1CCCNC1=O Amb27863499 [1,0,0,1,0,0|2,0,0]=4 1080 B11R1.17 NCCCN1CCCCC1=O Amb6751261 [1,0,0,1,0,0|2,0,0]=4 1081 B11R1.17 NCCC[C@@H]1CCCC[C@H]1O Amb27845404 [1,0,0,1,0,0|1,0,1]=4 1082 B11R1.17 N[C@H]1CCCC[C@H]1CCCBr Amb27219876 [1,0,0,1,0,0|2,0,0]=4 1083 B11R1.17 O=C1CCCCC1CCCO Amb27481191 [1,0,0,1,0,0|1,0,0]=3 1084 B11R1.17 O=C1CCCCN1CCCCl Amb6751295 [1,0,0,1,0,0|2,0,0]=4 1085 B11R1.17 O=C1CCCCN1CCCO Amb9370460 [1,0,0,1,0,0|2,0,0]=4 1086 B11R1.17 O=C1CCOCC1CCCF Amb27640843 [1,0,0,1,0,0|2,0,0]=4 1087 B11R1.17 O=C1CCOCC1CCCO Amb28284744 [1,0,0,1,0,0|2,0,0]=4 1088 B11R1.17 O=C1NCCCC1CCCO Amb25978142 [1,0,0,1,0,0|2,0,0]=4 1089 B11R1.17 O=C1OCCCC1CCCI Amb27261546 [1,0,0,1,0,0|2,0,0]=4 1090 B11R1.17 O=CCCC1CCCCC1O Amb27166081 [1,0,0,1,0,0|1,0,0]=3 1091 B11R1.17 OCCCC1CCCCC1O Amb27170228 [1,0,0,1,0,0|1,0,1]=4 1092 B11R1.17 OCCC[C@@H]1CCCC[C@H]1O Amb27448760 [1,0,0,1,0,0|1,0,1]=4 1093 B11R1.18 C#CCCC1CCCC1C=O Amb27442997 [1,0,0,1,0,0|0,0,2]=4 1094 B11R1.18 C#CCC[C@@H]1CCC[C@H]1C=O Amb28143047 [1,0,0,1,0,0|0,0,2]=4 1095 B11R1.18 C=CC1CCCN1CCCC Amb25383205 [1,0,0,1,0,0|1,0,1]=4 1096 B11R1.18 C=CCCC1CCCC1NC Amb27271588 [1,0,0,1,0,0|1,0,1]=4 1097 B11R1.18 CCC1CCCC1NCCF Amb27987646 [1,0,0,1,0,0|2,0,0]=4 1098 B11R1.18 CCC1CCCN1CCCBr Amb27986411 [1,0,0,1,0,0|2,0,0]=4 1099 B11R1.18 CCC1CCCN1CCCCl Amb18790722 [1,0,0,1,0,0|2,0,0]=4 1100 B11R1.18 CCC1CCCN1CCCN Amb18304548 [1,0,0,1,0,0|2,0,0]=4 1101 B11R1.18 CCC1CCCN1CCCO Amb18179765 [1,0,0,1,0,0|1,0,1]=4 1102 B11R1.18 CCCCC1CCCC1CC Amb27674064 [1,0,0,1,0,0|0,0,1]=3 1103 B11R1.18 CCCCC1OCCC1CN Amb27987725 [1,0,0,1,0,0|2,0,0]=4 1104 B11R1.18 CCCCC1OCCC1CO Amb27987731 [1,0,0,1,0,0|1,0,1]=4 1105 B11R1.18 CCCCN1CCCC1CCl Amb27269158 [1,0,0,1,0,0|2,0,0]=4 1106 B11R1.18 CCCCN1CCCC1CN Amb6673981 [1,0,0,1,0,0|2,0,0]=4 1107 B11R1.18 CCCCN1CCCC1CO Amb18799841 [1,0,0,1,0,0|1,0,1]=4 1108 B11R1.18 CCCCN1CCC[C@@H]1CN Amb27818752 [1,0,0,1,0,0|2,0,0]=4 1109 B11R1.18 CCCCN1CCC[C@@H]1CO Amb27670885 [1,0,0,1,0,0|1,0,1]=4 1110 B11R1.18 CCCCN1CCC[C@H]1CN Amb27818751 [1,0,0,1,0,0|2,0,0]=4 1111 B11R1.18 CCCCN1CCC[C@H]1CO Amb27670884 [1,0,0,1,0,0|1,0,1]=4 1112 B11R1.18 CCCC[C@H]1OCC[C@@H]1C=O Amb24765269 [1,0,0,1,0,0|1,0,0]=3 1113 B11R1.18 CCCC[C@H]1OCC[C@H]1C=O Amb24765268 [1,0,0,1,0,0|1,0,0]=3 1114 B11R1.18 CCCNC1CCCC1CCl Amb27492475 [1,0,0,1,0,0|2,0,0]=4 1115 B11R1.18 CCCNC1CCCC1CN Amb27271606 [1,0,0,1,0,0|2,0,0]=4 1116 B11R1.18 CCCNC1CCCC1CO Amb27269399 [1,0,0,1,0,0|1,0,1]=4 1117 B11R1.18 CCCSC1CCCC1CN Amb9391524 [1,0,0,1,0,0|2,0,0]=4 1118 B11R1.18 CCN1CCCC1CCCBr Amb27670648 [1,0,0,1,0,0|2,0,0]=4 1119 B11R1.18 CCN1CCCC1CCCCl Amb27269167 [1,0,0,1,0,0|2,0,0]=4 1120 B11R1.18 CCNCC1CCCC1CN Amb27672028 [1,0,0,1,0,0|2,0,0]=4 1121 B11R1.18 CCNCC1CCCC1CO Amb27271612 [1,0,0,1,0,0|1,0,1]=4 1122 B11R1.18 CCOCC1CCCC1CN Amb27670426 [1,0,0,1,0,0|2,0,0]=4 1123 B11R1.18 CC\C=C/[C@H]1CCC[C@H]1C=O Amb28122412 [1,0,0,1,0,0|0,0,2]=4 1124 B11R1.18 CNC1CCCC1CCCF Amb27988859 [1,0,0,1,0,0|2,0,0]=4 1125 B11R1.18 COC1CCCC1CCC=O Amb28079946 [1,0,0,1,0,0|1,0,0]=3 1126 B11R1.18 COC1CCCC1CCCBr Amb28079934 [1,0,0,1,0,0|2,0,0]=4 1127 B11R1.18 COC1CCCC1CCCCl Amb28079933 [1,0,0,1,0,0|2,0,0]=4 1128 B11R1.18 COC1CCCC1CCCN Amb28079940 [1,0,0,1,0,0|2,0,0]=4 1129 B11R1.18 COC1CCCC1CCCO Amb28079932 [1,0,0,1,0,0|1,0,1]=4 1130 B11R1.18 COCCN1CCCC1C=O Amb23586304 [1,0,0,1,0,0|2,0,0]=4 1131 B11R1.18 CSCCC1CCCC1CN Amb27986374 [1,0,0,1,0,0|2,0,0]=4 1132 B11R1.18 OCCC[C@H]1CCC[C@H]1CO Amb27989722 [1,0,0,1,0,0|1,0,1]=4 1133 B11R1.26 C=C1CCCCCCC1CO Amb27765896 [1,0,0,1,0,0|1,0,1]=4 1134 B11R1.26 CCC1CCCCCCC1=O Amb28284886 [1,0,0,1,0,0|0,0,0]=2 1135 B11R1.26 CCC1CCCCCCC1O Amb28342347 [1,0,0,1,0,0|0,0,1]=3 1136 B11R1.26 CC[C@@H]1CCCCCC[C@H]1O Amb25931014 [1,0,0,1,0,0|0,0,1]=3 1137 B11R1.26 COC1CCCCCCC1Br Amb27480443 [1,0,0,1,0,0|2,0,0]=4 1138 B11R1.26 COC1CCCCCCC1Cl Amb27232713 [1,0,0,1,0,0|2,0,0]=4 1139 B11R1.26 COC1CCCCCCC1F Amb25309265 [1,0,0,1,0,0|2,0,0]=4 1140 B11R1.26 COC1CCCCCCC1I Amb25693588 [1,0,0,1,0,0|2,0,0]=4 1141 B11R1.26 C\C=C1\CCCCCCC1=O Amb25967372 [1,0,0,1,0,0|0,0,2]=4 1142 B11R1.26 N#CC1CCCCCCC1=O Amb27954163 [1,0,0,1,0,0|1,0,1]=4 1143 B11R1.26 NC1CCCCCCC1CO Amb27798202 [1,0,0,1,0,0|1,0,1]=4 1144 B11R1.26 NCC1CCCCCCC1O Amb26386383 [1,0,0,1,0,0|1,0,1]=4 1145 B11R1.26 NCN1CCCCCCC1=O Amb28436920 [1,0,0,1,0,0|2,0,0]=4 1146 B11R1.26 O=C1CCCCCCN1CCl Amb8844104 [1,0,0,1,0,0|2,0,0]=4 1147 B11R1.26 O=C1CCCCCCN1CO Amb8844103 [1,0,0,1,0,0|2,0,0]=4 1148 B11R1.26 O=CC1CCCCCCC1=O Amb27863967 [1,0,0,1,0,0|1,0,1]=4 1149 B11R1.26 OCC1CCCCCCC1O Amb26612870 [1,0,0,1,0,0|1,0,1]=4 1150 B11R1.26 OC[C@H]1CCCCCC[C@@H]1O Amb28292208 [1,0,0,1,0,0|1,0,1]=4 1151 B11R1.28 BrCCCCC1=CCCCC1 Amb27673529 [1,0,0,1,0,0|1,0,1]=4 1152 B11R1.28 BrCCCCC1CCCCC1 Amb21937167 [1,0,0,1,0,0|1,0,0]=3 1153 B11R1.28 BrCCCCC1CCCCO1 Amb32690655 [1,0,0,1,0,0|1,0,1]=4 1154 B11R1.28 BrCCCCC1CCNCC1 Amb10602362 [1,0,0,1,0,0|2,0,0]=4 1155 B11R1.28 BrCCCCC1CCOCC1 Amb26651654 [1,0,0,1,0,0|2,0,0]=4 1156 B11R1.28 BrCCCCN1CCCCC1 Amb27986415 [1,0,0,1,0,0|2,0,0]=4 1157 B11R1.28 BrCCCCN1CCCCC1 Amb33624630 [1,0,0,1,0,0|2,0,0]=4 1158 B11R1.28 BrCCCOC1CCCCC1 Amb8828202 [1,0,0,1,0,0|2,0,0]=4 1159 B11R1.28 C#CCCCC1CCCCC1 Amb24062905 [1,0,0,1,0,0|0,0,2]=4 1160 B11R1.28 C=CCCCC1CCCCC1 Amb24117204 [1,0,0,1,0,0|0,0,1]=3 1161 B11R1.28 C=CCCCC1CCCCN1 Amb27271589 [1,0,0,1,0,0|1,0,1]=4 1162 B11R1.28 C=CCCCN1CCCCC1 Amb27986500 [1,0,0,1,0,0|1,0,1]=4 1163 B11R1.28 C=CCCNC1CCCCC1 Amb10559348 [1,0,0,1,0,0|1,0,1]=4 1164 B11R1.28 C=CCNCC1CCCCC1 Amb6683817 [1,0,0,1,0,0|1,0,1]=4 1165 B11R1.28 CCCCCC1CCCCC1 Amb4035883 [1,0,0,1,0,0|0,0,1]=3 1166 B11R1.28 CCCCCC1CCCCN1 Amb35745661 [1,0,0,1,0,0|1,0,0]=3 1167 B11R1.28 CCCCCC1CCCCN1 Amb3788144 [1,0,0,1,0,0|1,0,0]=3 1168 B11R1.28 CCCCCC1CCCNC1 Amb22642855 [1,0,0,1,0,0|1,0,1]=4 1169 B11R1.28 CCCCCC1CCCNC1 Amb35745623 [1,0,0,1,0,0|1,0,1]=4 1170 B11R1.28 CCCCCC1CCNCC1 Amb3933573 [1,0,0,1,0,0|1,0,1]=4 1171 B11R1.28 CCCCCC1CCOCO1 Amb27673274 [1,0,0,1,0,0|1,0,1]=4 1172 B11R1.28 CCCCCC1CNCCN1 Amb26659400 [1,0,0,1,0,0|2,0,0]=4 1173 B11R1.28 CCCCCC1COCCN1 Amb27673037 [1,0,0,1,0,0|2,0,0]=4 1174 B11R1.28 CCCCCC1NCCCS1 Amb27271116 [1,0,0,1,0,0|1,1,0]=4 1175 B11R1.28 CCCCCN1CCCCC1 Amb10573561 [1,0,0,1,0,0|1,0,1]=4 1176 B11R1.28 CCCCCN1CCCCN1 Amb27671793 [1,0,0,1,0,0|2,0,0]=4 1177 B11R1.28 CCCCNC1CCCCC1 Amb33548377 [1,0,0,1,0,0|1,0,1]=4 1178 B11R1.28 CCCCNC1CCCCC1 Amb4313711 [1,0,0,1,0,0|1,0,1]=4 1179 B11R1.28 CCCCOC1CCCCO1 Amb33856103 [1,0,0,1,0,0|1,0,1]=4 1180 B11R1.28 CCCCSC1CCCCC1 Amb17672783 [1,0,0,1,0,0|1,0,1]=4 1181 B11R1.28 CCCNCC1=CCCCC1 Amb27492062 [1,0,0,1,0,0|1,0,1]=4 1182 B11R1.28 CCCNCC1CCCCC1 Amb1042518 [1,0,0,1,0,0|1,0,1]=4 1183 B11R1.28 CCCNCC1CCCCC1 Amb2119490 [1,0,0,1,0,0|1,0,1]=4 1184 B11R1.28 CCCNCC1CCCCO1 Amb9258727 [1,0,0,1,0,0|1,0,1]=4 1185 B11R1.28 CCCOCC1CCCCN1 Amb18797153 [1,0,0,1,0,0|2,0,0]=4 1186 B11R1.28 CCCSCC1CCCCN1 Amb18803880 [1,0,0,1,0,0|2,0,0]=4 1187 B11R1.28 CCNCCC1=CCCCC1 Amb1833361 [1,0,0,1,0,0|1,0,1]=4 1188 B11R1.28 CCNCCC1=CCCCC1 Amb6537903 [1,0,0,1,0,0|1,0,1]=4 1189 B11R1.28 CCNCCC1CCCCC1 Amb8853691 [1,0,0,1,0,0|1,0,1]=4 1190 B11R1.28 CCNCCC1CCCCO1 Amb18312531 [1,0,0,1,0,0|1,0,1]=4 1191 B11R1.28 CCOCCC1CCCCN1 Amb17773408 [1,0,0,1,0,0|2,0,0]=4 1192 B11R1.28 CCSCCC1CCCCN1 Amb17503513 [1,0,0,1,0,0|2,0,0]=4 1193 B11R1.28 CCSCCC1CCCCN1 Amb35745722 [1,0,0,1,0,0|2,0,0]=4 1194 B11R1.28 CNCCCC1=CCCCC1 Amb28388045 [1,0,0,1,0,0|1,0,1]=4 1195 B11R1.28 CNCCCC1CCCCC1 Amb8853671 [1,0,0,1,0,0|1,0,1]=4 1196 B11R1.28 CNCCCC1CCCCN1 Amb18799769 [1,0,0,1,0,0|2,0,0]=4 1197 B11R1.28 CNCCCC1CCCCO1 Amb27266780 [1,0,0,1,0,0|1,0,1]=4 1198 B11R1.28 COCCCC1CCCCN1 Amb4304397 [1,0,0,1,0,0|2,0,0]=4 1199 B11R1.28 CSCCCC1CCCCN1 Amb27271775 [1,0,0,1,0,0|2,0,0]=4 1200 B11R1.28 C[NH2+]CCCC1CCCCC1 Amb20648432 [1,0,0,1,0,0|1,0,1]=4 1201 B11R1.28 ClCCCCC1CCCCC1 Amb26076997 [1,0,0,1,0,0|1,0,0]=3 1202 B11R1.28 ClCCCCC1CCCCO1 Amb32690653 [1,0,0,1,0,0|1,0,1]=4 1203 B11R1.28 ClCCCCC1CCOCC1 Amb26076983 [1,0,0,1,0,0|2,0,0]=4 1204 B11R1.28 ClCCCCN1CCCCC1 Amb17335097 [1,0,0,1,0,0|2,0,0]=4 1205 B11R1.28 ClCCCNC1CCCCC1 Amb27990124 [1,0,0,1,0,0|2,0,0]=4 1206 B11R1.28 ClCCCOC1CCCCC1 Amb6255056 [1,0,0,1,0,0|2,0,0]=4 1207 B11R1.28 ClCCSCC1CCCCC1 Amb27492366 [1,0,0,1,0,0|2,0,0]=4 1208 B11R1.28 ClCOCCC1CCCCC1 Amb27990056 [1,0,0,1,0,0|2,0,0]=4 1209 B11R1.28 FCCCCN1CCCCC1 Amb27672958 [1,0,0,1,0,0|2,0,0]=4 1210 B11R1.28 FCCCSC1CCCCC1 Amb27989077 [1,0,0,1,0,0|2,0,0]=4 1211 B11R1.28 FCCSCC1CCCCC1 Amb27271862 [1,0,0,1,0,0|2,0,0]=4 1212 B11R1.28 ICCCCC1CCCCC1 Amb32411024 [1,0,0,1,0,0|1,0,0]=3 1213 B11R1.28 N#CCCCC1CCCCC1 Amb4035890 [1,0,0,1,0,0|1,0,1]=4 1214 B11R1.28 NCCCCC1CCCCC1 Amb17570025 [1,0,0,1,0,0|1,0,0]=3 1215 B11R1.28 NCCCCC1CCCCN1 Amb27272282 [1,0,0,1,0,0|2,0,0]=4 1216 B11R1.28 NCCCCC1CCCCO1 Amb33377397 [1,0,0,1,0,0|1,0,1]=4 1217 B11R1.28 NCCCCC1CCCOC1 Amb26653352 [1,0,0,1,0,0|2,0,0]=4 1218 B11R1.28 NCCCCC1CCCSC1 Amb26076936 [1,0,0,1,0,0|2,0,0]=4 1219 B11R1.28 NCCCCC1CCNCC1 Amb10071400 [1,0,0,1,0,0|2,0,0]=4 1220 B11R1.28 NCCCCC1CCOCC1 Amb26653417 [1,0,0,1,0,0|2,0,0]=4 1221 B11R1.28 NCCCCN1CCCCC1 Amb1094595 [1,0,0,1,0,0|2,0,0]=4 1222 B11R1.28 NCCCNC1CCCCC1 Amb3940354 [1,0,0,1,0,0|2,0,0]=4 1223 B11R1.28 NCCCOC1CCCCC1 Amb1154583 [1,0,0,1,0,0|2,0,0]=4 1224 B11R1.28 NCCCSC1CCCCC1 Amb10608281 [1,0,0,1,0,0|2,0,0]=4 1225 B11R1.28 NCCCSC1CCCCC1 Amb21984186 [1,0,0,1,0,0|2,0,0]=4 1226 B11R1.28 NCCOCC1CCCCC1 Amb19033755 [1,0,0,1,0,0|2,0,0]=4 1227 B11R1.28 NNCCCC1CCCCC1 Amb6248425 [1,0,0,1,0,0|2,0,0]=4 1228 B11R1.28 NOCCCC1CCCCC1 Amb33422787 [1,0,0,1,0,0|2,0,0]=4 1229 B11R1.28 O=C=NCCC1CCCCC1 Amb6272842 [1,0,0,1,0,0|1,0,1]=4 1230 B11R1.28 O=CCCC=C1CCCCC1 Amb27441049 [1,0,0,1,0,0|0,0,2]=4 1231 B11R1.28 O=CCCCC1CC=CCC1 Amb33375581 [1,0,0,1,0,0|0,0,2]=4 1232 B11R1.28 O=CCCCC1CCCCC1 Amb26998071 [1,0,0,1,0,0|0,0,0]=2 1233 B11R1.28 O=CCCCC1CCCCO1 Amb25385814 [1,0,0,1,0,0|1,0,0]=3 1234 B11R1.28 O=CCCCC1CCCOC1 Amb33323158 [1,0,0,1,0,0|1,0,0]=3 1235 B11R1.28 O=CCCCC1CCCSC1 Amb32726172 [1,0,0,1,0,0|1,0,0]=3 1236 B11R1.28 O=CCCCC1CCOCC1 Amb26076142 [1,0,0,1,0,0|1,0,0]=3 1237 B11R1.28 O=CCCCN1CCOCC1 Amb25385962 [1,0,0,1,0,0|2,0,0]=4 1238 B11R1.28 O=CCCOC1CCCOC1 Amb27673699 [1,0,0,1,0,0|2,0,0]=4 1239 B11R1.28 O=CCOCC1CCOCC1 Amb18797338 [1,0,0,1,0,0|2,0,0]=4 1240 B11R1.28 O=CNCCC1CCCCC1 Amb28293397 [1,0,0,1,0,0|1,0,0]=3 1241 B11R1.28 O=C\C=C\CC1CCCCC1 Amb33172261 [1,0,0,1,0,0|0,0,2]=4 1242 B11R1.28 OCCCCC1=CCCCC1 Amb4477238 [1,0,0,1,0,0|1,0,1]=4 1243 B11R1.28 OCCCCC1CCCCC1 Amb3939108 [1,0,0,1,0,0|0,0,1]=3 1244 B11R1.28 OCCCCC1CCCCN1 Amb22749320 [1,0,0,1,0,0|1,0,1]=4 1245 B11R1.28 OCCCCC1CCCCO1 Amb26658869 [1,0,0,1,0,0|1,0,1]=4 1246 B11R1.28 OCCCCC1CCCNC1 Amb22749319 [1,0,0,1,0,0|1,0,1]=4 1247 B11R1.28 OCCCCC1CCNCC1 Amb21858465 [1,0,0,1,0,0|1,0,1]=4 1248 B11R1.28 OCCCCC1CCNCC1 Amb21858466 [1,0,0,1,0,0|1,0,1]=4 1249 B11R1.28 OCCCCC1CCOCC1 Amb24750759 [1,0,0,1,0,0|1,0,1]=4 1250 B11R1.28 OCCCCN1CCCCC1 Amb3204765 [1,0,0,1,0,0|1,0,1]=4 1251 B11R1.28 OCCCNC1CCCCC1 Amb35750445 [1,0,0,1,0,0|1,0,1]=4 1252 B11R1.28 OCCCNC1CCCCC1 Amb6733735 [1,0,0,1,0,0|1,0,1]=4 1253 B11R1.28 OCCCOC1CCCCC1 Amb6893051 [1,0,0,1,0,0|1,0,1]=4 1254 B11R1.28 OCCCPC1CCCCC1 Amb27989607 [1,0,0,1,0,0|1,0,1]=4 1255 B11R1.28 OCCNCC1CCCCC1 Amb9203178 [1,0,0,1,0,0|1,0,1]=4 1256 B11R1.28 SCCCCC1CCCCC1 Amb33422122 [1,0,0,1,0,0|0,1,0]=3 1257 B11R1.28 SCCCCC1CCOCC1 Amb27670740 [1,0,0,1,0,0|1,1,0]=4 1258 B11R1.28 [C-]#[N+]CCCC1CCCCC1 Amb26448941 [1,0,0,1,0,0|1,0,1]=4 1259 B11R1.41 C=CC1CCCCN1CCC Amb28453966 [1,0,0,1,0,0|1,0,1]=4 1260 B11R1.41 C=CCC1CCCCC1NC Amb18993613 [1,0,0,1,0,0|1,0,1]=4 1261 B11R1.41 C=COC1CCCCC1CC Amb27757966 [1,0,0,1,0,0|1,0,1]=4 1262 B11R1.41 C=C[C@@H]1CCCC[C@H]1CC=O Amb27447266 [1,0,0,1,0,0|0,0,2]=4 1263 B11R1.41 CCC1CCCCC1CCBr Amb28186141 [1,0,0,1,0,0|1,0,0]=3 1264 B11R1.41 CCC1CCCCC1CCO Amb28186835 [1,0,0,1,0,0|0,0,1]=3 1265 B11R1.41 CCC1CCCCC1N=C=O Amb28347996 [1,0,0,1,0,0|1,0,1]=4 1266 B11R1.41 CCC1CCCCC1OC=N Amb26009235 [1,0,0,1,0,0|2,0,0]=4 1267 B11R1.41 CCC1CCCCC1OCCl Amb27945645 [1,0,0,1,0,0|2,0,0]=4 1268 B11R1.41 CCC1CCCCN1CC=O Amb18799608 [1,0,0,1,0,0|1,0,0]=3 1269 B11R1.41 CCC1CCCCN1CCCl Amb17335102 [1,0,0,1,0,0|2,0,0]=4 1270 B11R1.41 CCC1CCCCN1CCN Amb9763887 [1,0,0,1,0,0|2,0,0]=4 1271 B11R1.41 CCC1CCCCN1CCO Amb9370238 [1,0,0,1,0,0|1,0,1]=4 1272 B11R1.41 CCC1COCCN1CC=O Amb18799791 [1,0,0,1,0,0|2,0,0]=4 1273 B11R1.41 CCCC1CCCCC1CN Amb26014918 [1,0,0,1,0,0|1,0,0]=3 1274 B11R1.41 CCCC1CCCCN1C=O Amb24523123 [1,0,0,1,0,0|1,0,0]=3 1275 B11R1.41 CCCC1COCCC1CN Amb28245486 [1,0,0,1,0,0|2,0,0]=4 1276 B11R1.41 CCCC1NCCCC1CC Amb6666232 [1,0,0,1,0,0|1,0,1]=4 1277 B11R1.41 CCCC1OCCCC1C=O Amb28132010 [1,0,0,1,0,0|1,0,0]=3 1278 B11R1.41 CCCN1CCCCC1CN Amb6674019 [1,0,0,1,0,0|2,0,0]=4 1279 B11R1.41 CCCN1CCCC[C@@H]1CN Amb33218412 [1,0,0,1,0,0|2,0,0]=4 1280 B11R1.41 CCCN1CCCC[C@H]1CN Amb33218399 [1,0,0,1,0,0|2,0,0]=4 1281 B11R1.41 CCCN1CCCC[C@H]1CO Amb27604762 [1,0,0,1,0,0|1,0,1]=4 1282 B11R1.41 CCN1CCCCC1CC=O Amb27958566 [1,0,0,1,0,0|1,0,0]=3 1283 B11R1.41 CCN1CCCCC1CCBr Amb27765441 [1,0,0,1,0,0|2,0,0]=4 1284 B11R1.41 CCN1CCCCC1CCN Amb18251513 [1,0,0,1,0,0|2,0,0]=4 1285 B11R1.41 CCN1CCCCC1CCO Amb18183195 [1,0,0,1,0,0|1,0,1]=4 1286 B11R1.41 CCNC1CCCCC1CCl Amb28321031 [1,0,0,1,0,0|2,0,0]=4 1287 B11R1.41 CCSC1CCCCC1C=O Amb27431708 [1,0,0,1,0,0|1,0,0]=3 1288 B11R1.41 CC[C@@H]1CCCC[C@H]1CCO Amb28321391 [1,0,0,1,0,0|0,0,1]=3 1289 B11R1.41 CC[C@H]1CNCC[C@@H]1CCO Amb27482650 [1,0,0,1,0,0|1,0,1]=4 1290 B11R1.41 CNCC1CCCCC1CCl Amb27868101 [1,0,0,1,0,0|2,0,0]=4 1291 B11R1.41 CNCC1CCCCC1CO Amb27640096 [1,0,0,1,0,0|1,0,1]=4 1292 B11R1.41 COC1CCCCC1CCBr Amb23538187 [1,0,0,1,0,0|2,0,0]=4 1293 B11R1.41 COC1CCCCC1CCCl Amb27849812 [1,0,0,1,0,0|2,0,0]=4 1294 B11R1.41 COCC1CCCCC1CCl Amb27794626 [1,0,0,1,0,0|2,0,0]=4 1295 B11R1.41 COC[C@@H]1CCCC[C@H]1CO Amb17939261 [1,0,0,1,0,0|1,0,1]=4 1296 B11R1.41 CO[C@@H]1CCCC[C@H]1CCO Amb27207783 [1,0,0,1,0,0|1,0,1]=4 1297 B11R1.41 CO[C@H]1CCCC[C@H]1CCCl Amb27632432 [1,0,0,1,0,0|2,0,0]=4 1298 B11R1.41 C\C=C/[C@@H]1CCCC[C@H]1C=O Amb25956926 [1,0,0,1,0,0|0,0,2]=4 1299 B11R1.41 NCCC1CCCCC1CF Amb27967428 [1,0,0,1,0,0|2,0,0]=4 1300 B11R1.41 O=CCN1CCCCC1CO Amb18799800 [1,0,0,1,0,0|2,0,0]=4 1301 B11R1.41 O=CC[C@@H]1CCCC[C@@H]1C=O Amb28131369 [1,0,0,1,0,0|1,0,1]=4 1302 B11R1.41 O=CN1CCCCC1CCCl Amb26642972 [1,0,0,1,0,0|2,0,0]=4 1303 B11R1.41 O=CNC1CCCCC1CO Amb27235336 [1,0,0,1,0,0|2,0,0]=4 1304 B11R1.41 OCC1CCCCC1CCF Amb27958912 [1,0,0,1,0,0|1,0,1]=4 1305 B11R1.41 OCC[C@@H]1CCCC[C@H]1CO Amb28249036 [1,0,0,1,0,0|1,0,1]=4 1306 B11R1.47 OCCCCNCC1CCC1 Amb18182245 [1,0,0,1,0,0|1,0,1]=4 1307 B11R1.51 CCC1CCCCCC1C#N Amb35611345 [1,0,0,1,0,0|1,0,1]=4 1308 B11R1.51 CCC1CCCCCC1C=O Amb35725693 [1,0,0,1,0,0|0,0,0]=2 1309 B11R1.51 CCC1CCCCCC1CBr Amb35721286 [1,0,0,1,0,0|1,0,0]=3 1310 B11R1.51 CCC1CCCCCC1CCl Amb35721285 [1,0,0,1,0,0|1,0,0]=3 1311 B11R1.51 CCC1CCCCCC1CN Amb27977818 [1,0,0,1,0,0|1,0,0]=3 1312 B11R1.51 CCC1CCCCCC1CO Amb35672750 [1,0,0,1,0,0|0,0,1]=3 1313 B11R1.51 CCC1CCCCCC1NN Amb35734051 [1,0,0,1,0,0|2,0,0]=4 1314 B11R1.51 CCC1CCCCCC1NO Amb35725722 [1,0,0,1,0,0|1,0,1]=4 1315 B11R1.51 CCN1CCCCCC1C=O Amb28135545 [1,0,0,1,0,0|1,0,0]=3 1316 B11R1.51 CCN1CCCCCC1CO Amb10817345 [1,0,0,1,0,0|1,0,1]=4 1317 B11R1.51 COC1CCCCCN1C=O Amb27488557 [1,0,0,1,0,0|2,0,0]=4 1318 B11R1.51 CSC1CCCCCC1CN Amb18281653 [1,0,0,1,0,0|2,0,0]=4 1319 B11R1.51 O=CN1CCCCCC1CO Amb26932888 [1,0,0,1,0,0|2,0,0]=4 1320 B11R1.51 OCC1CCCCCC1CCl Amb27875207 [1,0,0,1,0,0|1,0,1]=4 1321 B11R1.51 OC[C@H]1CCCCC[C@H]1CO Amb22356584 [1,0,0,1,0,0|1,0,1]=4 1322 B11R1.85 NC1CCCCCCNC1=O Amb27640572 [1,0,0,1,0,0|2,0,0]=4 1323 B11R1.92 C1CCCCCCCCCC1 Amb25060085 [1,0,0,1,0,0|0,0,1]=3 1324 B11R1.92 C1CCCCCNCCCC1 Amb27462141 [1,0,0,1,0,0|1,0,0]=3 1325 B11R1.92 C1CCNCCCCNCC1 Amb27199700 [1,0,0,1,0,0|2,0,0]=4 1326 B11R1.99 BrCCCCCCCC1CC1 Amb33167094 [1,0,0,1,0,0|1,0,0]=3 1327 B11R1.99 C=CCCCCCCC1CO1 Amb8515343 [1,0,0,1,0,0|1,0,1]=4 1328 B11R1.99 CCCCCCCNC1CC1 Amb7794378 [1,0,0,1,0,0|1,0,1]=4 1329 B11R1.99 CCCCCCOCC1CO1 Amb7761629 [1,0,0,1,0,0|1,0,1]=4 1330 B11R1.99 CCCNCCCCC1CC1 Amb32675851 [1,0,0,1,0,0|1,0,1]=4 1331 B11R1.99 NCCCCCCCC1CC1 Amb33167099 [1,0,0,1,0,0|1,0,0]=3 1332 B11R1.99 O=CCCCCCCC1CC1 Amb33167104 [1,0,0,1,0,0|0,0,0]=2 1333 B11R1.99 O=CCOCCOCC1CC1 Amb33167107 [1,0,0,1,0,0|2,0,0]=4 1334 B11R1.99 OCCNCCCCC1CC1 Amb32675860 [1,0,0,1,0,0|1,0,1]=4 1335 B11R1.101 ClC1C=CCCCCCCC1 Amb28285392 [1,0,0,1,0,0|1,0,1]=4 1336 B11R1.101 ClC1CCCCCCCCC1 Amb26603797 [1,0,0,1,0,0|1,0,0]=3 1337 B11R1.101 NC1CCCCCCCCC1 Amb17593887 [1,0,0,1,0,0|1,0,0]=3 1338 B11R1.101 NC1CCCCCCCCC1 Amb29837926 [1,0,0,1,0,0|1,0,0]=3 1339 B11R1.101 O=C1C=CCCCCCCC1 Amb28254479 [1,0,0,1,0,0|0,0,2]=4 1340 B11R1.101 O=C1CC=CCCCCCC1 Amb26880464 [1,0,0,1,0,0|0,0,2]=4 1341 B11R1.101 O=C1CCC=CCCCCC1 Amb4034899 [1,0,0,1,0,0|0,0,2]=4 1342 B11R1.101 O=C1CCCCCCCCC1 Amb2778532 [1,0,0,1,0,0|0,0,0]=2 1343 B11R1.101 O=C1CCCCCCCCN1 Amb4034840 [1,0,0,1,0,0|1,0,0]=3 1344 B11R1.101 O=C1CCNCCCCCN1 Amb32679586 [1,0,0,1,0,0|2,0,0]=4 1345 B11R1.101 O=C1CNCCCCCCN1 Amb28044832 [1,0,0,1,0,0|2,0,0]=4 1346 B11R1.101 OC1CCCCCCCCC1 Amb22008249 [1,0,0,1,0,0|0,0,1]=3 1347 B11R1.101 O[C@H]1C=CCCCCCCC1 Amb28206118 [1,0,0,1,0,0|1,0,1]=4 1348 B11R1.101 S=C1CCCCCCCCN1 Amb27636863 [1,0,0,1,0,0|1,1,0]=4 1349 B11R1.109 C=CCC1CCCC1CC=O Amb27986653 [1,0,0,1,0,0|0,0,2]=4 1350 B11R1.109 CCCC1CCNC1CCO Amb32946581 [1,0,0,1,0,0|1,0,1]=4 1351 B11R1.109 CCCC1COCC1NC=O Amb35617215 [1,0,0,1,0,0|2,0,0]=4 1352 B11R1.109 CCCN1CCCC1CCBr Amb27987119 [1,0,0,1,0,0|2,0,0]=4 1353 B11R1.109 CCCN1CCCC1CCCl Amb27987130 [1,0,0,1,0,0|2,0,0]=4 1354 B11R1.109 CCCN1CCCC1CCN Amb27987147 [1,0,0,1,0,0|2,0,0]=4 1355 B11R1.109 CCCN1CCCC1CCO Amb27989578 [1,0,0,1,0,0|1,0,1]=4 1356 B11R1.109 CCNC1CCCC1CCF Amb27272355 [1,0,0,1,0,0|2,0,0]=4 1357 B11R1.109 CCNC1CCCC1CCO Amb27272356 [1,0,0,1,0,0|1,0,1]=4 1358 B11R1.109 NCCC1CCCC1CCN Amb27673469 [1,0,0,1,0,0|2,0,0]=4 1359 B11R1.109 O=CCN1CCCC1CCO Amb27987139 [1,0,0,1,0,0|2,0,0]=4 1360 B11R1.117 BrCCC1CCCCCCC1 Amb27231389 [1,0,0,1,0,0|1,0,0]=3 1361 B11R1.117 Br\C=C\C1CCCCCCC1 Amb33135178 [1,0,0,1,0,0|1,0,1]=4 1362 B11R1.117 C=CCN1CCCCCCC1 Amb27632227 [1,0,0,1,0,0|1,0,1]=4 1363 B11R1.117 CCCC1CCCCCCN1 Amb27400100 [1,0,0,1,0,0|1,0,0]=3 1364 B11R1.117 CCCN1CCCCCCC1 Amb27176813 [1,0,0,1,0,0|1,0,1]=4 1365 B11R1.117 CCNC1CCCCCCC1 Amb6279427 [1,0,0,1,0,0|1,0,1]=4 1366 B11R1.117 CNCC1=CCCCCCC1 Amb28045096 [1,0,0,1,0,0|1,0,1]=4 1367 B11R1.117 CNCC1C=CCCCCC1 Amb28206523 [1,0,0,1,0,0|1,0,1]=4 1368 B11R1.117 CNCC1CCCCCCC1 Amb19149347 [1,0,0,1,0,0|1,0,1]=4 1369 B11R1.117 ClCCC1CCCCCCC1 Amb27760938 [1,0,0,1,0,0|1,0,0]=3 1370 B11R1.117 N#CCC1CCCCCCC1 Amb25947499 [1,0,0,1,0,0|1,0,1]=4 1371 B11R1.117 NCCC1CCCCCCC1 Amb10607690 [1,0,0,1,0,0|1,0,0]=3 1372 B11R1.117 O=C=NC1CCCCCCC1 Amb22362664 [1,0,0,1,0,0|1,0,1]=4 1373 B11R1.117 OCCC1=CCCCCCC1 Amb24439590 [1,0,0,1,0,0|1,0,1]=4 1374 B11R1.117 OCCC1CCCCCCN1 Amb28135445 [1,0,0,1,0,0|1,0,1]=4 1375 B11R1.117 ONCC1CCCCCCC1 Amb28189794 [1,0,0,1,0,0|1,0,1]=4 1376 B11R1.117 SCCN1CCCCCCC1 Amb27979127 [1,0,0,1,0,0|1,1,0]=4 1377 B11R1.180 C=CCCCC1CCCC1=O Amb27271584 [1,0,0,1,0,0|0,0,2]=4 1378 B11R1.180 C=CCCCC1CCCC1Br Amb27271586 [1,0,0,1,0,0|1,0,1]=4 1379 B11R1.180 C=CCCCC1CCCC1Cl Amb27271585 [1,0,0,1,0,0|1,0,1]=4 1380 B11R1.180 C=CCCCC1CCCC1N Amb27271587 [1,0,0,1,0,0|1,0,1]=4 1381 B11R1.180 C=CCCCC1CCCC1O Amb24762973 [1,0,0,1,0,0|1,0,1]=4 1382 B11R1.180 C=CCCCN1CCCC1C Amb28326413 [1,0,0,1,0,0|1,0,1]=4 1383 B11R1.180 C=CCCC[C@@H]1CCCC1=O Amb28080270 [1,0,0,1,0,0|0,0,2]=4 1384 B11R1.180 C=CCCC[C@@H]1CCC[C@@H]1O Amb27989516 [1,0,0,1,0,0|1,0,1]=4 1385 B11R1.180 C=CCCC[C@@H]1CCC[C@H]1O Amb26999456 [1,0,0,1,0,0|1,0,1]=4 1386 B11R1.180 C=CCCNC1CCCC1C Amb27266961 [1,0,0,1,0,0|1,0,1]=4 1387 B11R1.180 CC1CCCC1CCN=C=O Amb27964358 [1,0,0,1,0,0|1,0,1]=4 1388 B11R1.180 CC1CCCC1CNCCN Amb27988593 [1,0,0,1,0,0|2,0,0]=4 1389 B11R1.180 CC1CCCC1NCCCF Amb27986344 [1,0,0,1,0,0|2,0,0]=4 1390 B11R1.180 CC1CCCC1NCCCI Amb28326426 [1,0,0,1,0,0|2,0,0]=4 1391 B11R1.180 CC1CCCC1NCCCO Amb24750431 [1,0,0,1,0,0|1,0,1]=4 1392 B11R1.180 CC1CCCN1CCCCBr Amb27986412 [1,0,0,1,0,0|2,0,0]=4 1393 B11R1.180 CC1CCCN1CCCCCl Amb18184021 [1,0,0,1,0,0|2,0,0]=4 1394 B11R1.180 CC1CCCN1CCCCF Amb28326414 [1,0,0,1,0,0|2,0,0]=4 1395 B11R1.180 CC1CCCN1CCCCS Amb27671138 [1,0,0,1,0,0|1,1,0]=4 1396 B11R1.180 CC1OCCC1CCCC=O Amb33426812 [1,0,0,1,0,0|1,0,0]=3 1397 B11R1.180 CC1OCCC1CCCCN Amb33426821 [1,0,0,1,0,0|2,0,0]=4 1398 B11R1.180 CCC#CCC1CCCC1=O Amb27791342 [1,0,0,1,0,0|0,0,2]=4 1399 B11R1.180 CCCCCC1=CCCC1=O Amb533108 [1,0,0,1,0,0|0,0,2]=4 1400 B11R1.180 CCCCCC1C=CCC1=O Amb27672594 [1,0,0,1,0,0|0,0,2]=4 1401 B11R1.180 CCCCCC1CC=CC1=O Amb17843926 [1,0,0,1,0,0|0,0,2]=4 1402 B11R1.180 CCCCCC1CCCC1=O Amb534714 [1,0,0,1,0,0|0,0,0]=2 1403 B11R1.180 CCCCCC1CCCC1Br Amb27266930 [1,0,0,1,0,0|1,0,0]=3 1404 B11R1.180 CCCCCC1CCCC1O Amb18183110 [1,0,0,1,0,0|0,0,1]=3 1405 B11R1.180 CCCCCC1CCCN1C Amb27272323 [1,0,0,1,0,0|1,0,1]=4 1406 B11R1.180 CCCCCC1CNCC1O Amb32944704 [1,0,0,1,0,0|1,0,1]=4 1407 B11R1.180 CCCCCC1COCC1=O Amb27672690 [1,0,0,1,0,0|1,0,0]=3 1408 B11R1.180 CCCCCC1COCC1O Amb32945486 [1,0,0,1,0,0|1,0,1]=4 1409 B11R1.180 CCCCCC1OCCC1N Amb27271299 [1,0,0,1,0,0|2,0,0]=4 1410 B11R1.180 CCCCCC1OCCC1O Amb27673890 [1,0,0,1,0,0|1,0,1]=4 1411 B11R1.180 CCCCCN1CCCC1=O Amb20621968 [1,0,0,1,0,0|1,0,0]=3 1412 B11R1.180 CCCCCN1CCCC1C Amb27272044 [1,0,0,1,0,0|1,0,1]=4 1413 B11R1.180 CCCCCN1CCCC1C Amb28352147 [1,0,0,1,0,0|1,0,1]=4 1414 B11R1.180 CCCCCN1CCNC1=O Amb28386660 [1,0,0,1,0,0|2,0,0]=4 1415 B11R1.180 CCCCC[C@@H]1CCC[C@H]1O Amb26659964 [1,0,0,1,0,0|0,0,1]=3 1416 B11R1.180 CCCCC[C@@H]1CNC[C@H]1O Amb32945391 [1,0,0,1,0,0|1,0,1]=4 1417 B11R1.180 CCCCC[C@@H]1COC[C@H]1O Amb32945059 [1,0,0,1,0,0|1,0,1]=4 1418 B11R1.180 CCCCC[C@@H]1OCC[C@H]1O Amb27989725 [1,0,0,1,0,0|1,0,1]=4 1419 B11R1.180 CCCCNC1CCCC1Cl Amb27674051 [1,0,0,1,0,0|2,0,0]=4 1420 B11R1.180 CCCCNC1CCCC1O Amb18303638 [1,0,0,1,0,0|1,0,1]=4 1421 B11R1.180 CCCCN[C@@H]1CCC[C@H]1O Amb27266974 [1,0,0,1,0,0|1,0,1]=4 1422 B11R1.180 CCCCN[C@H]1CCC[C@@H]1O Amb27988011 [1,0,0,1,0,0|1,0,1]=4 1423 B11R1.180 CCCCOC1CCCC1Br Amb24761922 [1,0,0,1,0,0|2,0,0]=4 1424 B11R1.180 CCCCOC1CCCC1I Amb27000729 [1,0,0,1,0,0|2,0,0]=4 1425 B11R1.180 CCCCOC1CCCC1N Amb8895216 [1,0,0,1,0,0|2,0,0]=4 1426 B11R1.180 CCCCOC1CCCC1O Amb18799957 [1,0,0,1,0,0|1,0,1]=4 1427 B11R1.180 CCCCOC1OCCC1=O Amb27673554 [1,0,0,1,0,0|2,0,0]=4 1428 B11R1.180 CCCCSC1CCCC1Cl Amb27990087 [1,0,0,1,0,0|2,0,0]=4 1429 B11R1.180 CCCC\C=C1\CCCC1=O Amb533060 [1,0,0,1,0,0|0,0,2]=4 1430 B11R1.180 CCCNCC1CCCC1C Amb27987158 [1,0,0,1,0,0|1,0,1]=4 1431 B11R1.180 CCCNCC1CCCC1Cl Amb27271601 [1,0,0,1,0,0|2,0,0]=4 1432 B11R1.180 CCCNCC1CCCC1O Amb27271525 [1,0,0,1,0,0|1,0,1]=4 1433 B11R1.180 CCCOCC1CCCC1=O Amb27987801 [1,0,0,1,0,0|1,0,0]=3 1434 B11R1.180 CCCOCC1CCCC1Br Amb27987803 [1,0,0,1,0,0|2,0,0]=4 1435 B11R1.180 CCCOCC1CCCC1Cl Amb27987802 [1,0,0,1,0,0|2,0,0]=4 1436 B11R1.180 CCCOCC1CCCC1N Amb27987806 [1,0,0,1,0,0|2,0,0]=4 1437 B11R1.180 CCCOCC1CCCC1O Amb27987798 [1,0,0,1,0,0|1,0,1]=4 1438 B11R1.180 CCCOC[C@@H]1CCC[C@H]1O Amb32944526 [1,0,0,1,0,0|1,0,1]=4 1439 B11R1.180 CCNCCC1CCNC1=O Amb27674171 [1,0,0,1,0,0|2,0,0]=4 1440 B11R1.180 CCOCCC1CCCC1Br Amb27269149 [1,0,0,1,0,0|2,0,0]=4 1441 B11R1.180 CCOCCC1CCCC1O Amb18183285 [1,0,0,1,0,0|1,0,1]=4 1442 B11R1.180 CCSCCC1CCCC1=O Amb27269774 [1,0,0,1,0,0|1,0,0]=3 1443 B11R1.180 CCSCCC1CCCC1Br Amb27271790 [1,0,0,1,0,0|2,0,0]=4 1444 B11R1.180 CCSCCC1CCCC1Cl Amb27986363 [1,0,0,1,0,0|2,0,0]=4 1445 B11R1.180 CCSCCC1CCCC1N Amb27987804 [1,0,0,1,0,0|2,0,0]=4 1446 B11R1.180 CCSCCC1CCCC1O Amb27986369 [1,0,0,1,0,0|1,0,1]=4 1447 B11R1.180 CCSCCC1CSCC1=O Amb27271770 [1,0,0,1,0,0|2,0,0]=4 1448 B11R1.180 CC\C=C/CC1CCCC1=O Amb27272751 [1,0,0,1,0,0|0,0,2]=4 1449 B11R1.180 CC\C=C\CC1CCCC1=O Amb26923884 [1,0,0,1,0,0|0,0,2]=4 1450 B11R1.180 CN1CCCC1CCCC=O Amb33320340 [1,0,0,1,0,0|1,0,0]=3 1451 B11R1.180 CN1CCCC1CCCCBr Amb33434965 [1,0,0,1,0,0|2,0,0]=4 1452 B11R1.180 CN1CCCC1CCCCN Amb33321392 [1,0,0,1,0,0|2,0,0]=4 1453 B11R1.180 CN1CCCC1CCCCO Amb24750381 [1,0,0,1,0,0|1,0,1]=4 1454 B11R1.180 CN1CCCC1CCCCS Amb33325945 [1,0,0,1,0,0|1,1,0]=4 1455 B11R1.180 CN1CCCC1CCNC=O Amb35682237 [1,0,0,1,0,0|2,0,0]=4 1456 B11R1.180 CNCCCN1CCCC1=O Amb19015452 [1,0,0,1,0,0|2,0,0]=4 1457 B11R1.180 COCCCC1CCCC1Br Amb27269148 [1,0,0,1,0,0|2,0,0]=4 1458 B11R1.180 COCCCC1CCCC1Cl Amb18808937 [1,0,0,1,0,0|2,0,0]=4 1459 B11R1.180 COCCCC1CCCC1O Amb18183284 [1,0,0,1,0,0|1,0,1]=4 1460 B11R1.180 COCCCN1CCCC1=O Amb24064201 [1,0,0,1,0,0|2,0,0]=4 1461 B11R1.180 COCCC[C@@H]1CCC[C@H]1O Amb32945571 [1,0,0,1,0,0|1,0,1]=4 1462 B11R1.180 CSCCCC1CCCC1Br Amb27271791 [1,0,0,1,0,0|2,0,0]=4 1463 B11R1.180 CSCCCC1CCCC1Cl Amb27986364 [1,0,0,1,0,0|2,0,0]=4 1464 B11R1.180 CSCCCC1CCCC1O Amb27986370 [1,0,0,1,0,0|1,0,1]=4 1465 B11R1.180 CSCCCC1CSCC1=O Amb27271771 [1,0,0,1,0,0|2,0,0]=4 1466 B11R1.180 CSCCSC1CCCC1=O Amb28079899 [1,0,0,1,0,0|2,0,0]=4 1467 B11R1.180 N#CCCCC1CCCC1=O Amb25717939 [1,0,0,1,0,0|1,0,1]=4 1468 B11R1.180 NCCCCN1CCCC1=O Amb6244615 [1,0,0,1,0,0|2,0,0]=4 1469 B11R1.180 O=C1CCCC1CCCCBr Amb27672177 [1,0,0,1,0,0|1,0,0]=3 1470 B11R1.180 O=C1CCCC1CCCCF Amb27267015 [1,0,0,1,0,0|1,0,0]=3 1471 B11R1.180 O=C1CCCC1CCCCO Amb27986534 [1,0,0,1,0,0|1,0,0]=3 1472 B11R1.180 O=C1CCCC1SCCCO Amb27271109 [1,0,0,1,0,0|2,0,0]=4 1473 B11R1.180 O=C1CCCN1CCCCBr Amb33545934 [1,0,0,1,0,0|2,0,0]=4 1474 B11R1.180 O=C1CCCN1CCCCCl Amb18184015 [1,0,0,1,0,0|2,0,0]=4 1475 B11R1.180 O=C1CSCC1CCCCF Amb27267016 [1,0,0,1,0,0|2,0,0]=4 1476 B11R1.180 O=C1OCCC1CCCCO Amb27989920 [1,0,0,1,0,0|2,0,0]=4 1477 B11R1.180 OCCCCC1CCCC1O Amb28080690 [1,0,0,1,0,0|1,0,1]=4 1478 B11R1.181 CCC1CCC1CNCCN Amb32420103 [1,0,0,1,0,0|2,0,0]=4 1479 B11R1.181 CCC1CCC1CNCCO Amb32419822 [1,0,0,1,0,0|1,0,1]=4 1480 B11R1.181 CCCCCN1CCC1CN Amb33251964 [1,0,0,1,0,0|2,0,0]=4 1481 B11R1.190 CC1CCC1CNCCCN Amb32421501 [1,0,0,1,0,0|2,0,0]=4 1482 B11R1.190 CC1CCC1CNCCCO Amb32420109 [1,0,0,1,0,0|1,0,1]=4 1483 B11R1.190 CCCCC\C=C1/CCC1=O Amb28080152 [1,0,0,1,0,0|0,0,2]=4 1484 B11R1.203 BrCCCC1CCCCCC1 Amb25836156 [1,0,0,1,0,0|1,0,0]=3 1485 B11R1.203 BrCCOC1CCCCCC1 Amb27485201 [1,0,0,1,0,0|2,0,0]=4 1486 B11R1.203 C#CCCC1CCCCCC1 Amb32882184 [1,0,0,1,0,0|0,0,2]=4 1487 B11R1.203 C=CCCC1CCCCCC1 Amb29865043 [1,0,0,1,0,0|0,0,1]=3 1488 B11R1.203 C=CCNC1CCCCCC1 Amb6683795 [1,0,0,1,0,0|1,0,1]=4 1489 B11R1.203 CCCCC1CCCNCC1 Amb27982191 [1,0,0,1,0,0|1,0,1]=4 1490 B11R1.203 CCCCC1CCNCCO1 Amb32679926 [1,0,0,1,0,0|1,0,1]=4 1491 B11R1.203 CCCCN1CCCCCC1 Amb22347751 [1,0,0,1,0,0|1,0,1]=4 1492 B11R1.203 CCCNC1CCCCCC1 Amb22587063 [1,0,0,1,0,0|1,0,1]=4 1493 B11R1.203 CCCNC1CCCCCC1 Amb6266225 [1,0,0,1,0,0|1,0,1]=4 1494 B11R1.203 CNCCC1CCCCCC1 Amb26457524 [1,0,0,1,0,0|1,0,1]=4 1495 B11R1.203 CNCCC1CCCCCN1 Amb27797506 [1,0,0,1,0,0|2,0,0]=4 1496 B11R1.203 COCCC1CCCCCN1 Amb27634772 [1,0,0,1,0,0|2,0,0]=4 1497 B11R1.203 ClCCCN1CCCCCC1 Amb17335099 [1,0,0,1,0,0|2,0,0]=4 1498 B11R1.203 ClCCNC1CCCCCC1 Amb17335094 [1,0,0,1,0,0|2,0,0]=4 1499 B11R1.203 ClCCOC1CCCCCC1 Amb18795877 [1,0,0,1,0,0|2,0,0]=4 1500 B11R1.203 ClCOCC1CCCCCC1 Amb28118315 [1,0,0,1,0,0|2,0,0]=4 1501 B11R1.203 FCCNC1CCCCCC1 Amb27760204 [1,0,0,1,0,0|2,0,0]=4 1502 B11R1.203 N#CCCC1CCCCCC1 Amb26050765 [1,0,0,1,0,0|1,0,1]=4 1503 B11R1.203 NCCCC1=CCCCCC1 Amb27463491 [1,0,0,1,0,0|1,0,1]=4 1504 B11R1.203 NCCCC1CCCCCC1 Amb25113900 [1,0,0,1,0,0|1,0,0]=3 1505 B11R1.203 NCCCN1CCCCCC1 Amb1154115 [1,0,0,1,0,0|2,0,0]=4 1506 B11R1.203 NCCCN1CCCCCC1 Amb5837271 [1,0,0,1,0,0|2,0,0]=4 1507 B11R1.203 NCCNC1CCCCCC1 Amb17091047 [1,0,0,1,0,0|2,0,0]=4 1508 B11R1.203 NCCOC1CCCCCC1 Amb18290053 [1,0,0,1,0,0|2,0,0]=4 1509 B11R1.203 NOCCC1CCCCCC1 Amb33267300 [1,0,0,1,0,0|2,0,0]=4 1510 B11R1.203 O=C=NCC1CCCCCC1 Amb27847742 [1,0,0,1,0,0|1,0,1]=4 1511 B11R1.203 O=CCCC1C=CCCCC1 Amb27176435 [1,0,0,1,0,0|0,0,2]=4 1512 B11R1.203 O=CCCC1CCCCCC1 Amb26946978 [1,0,0,1,0,0|0,0,0]=2 1513 B11R1.203 O=CCCN1CCCOCC1 Amb18177532 [1,0,0,1,0,0|2,0,0]=4 1514 B11R1.203 O=CCOC1CCCCCC1 Amb18183074 [1,0,0,1,0,0|1,0,0]=3 1515 B11R1.203 O=CNCC1CCCCCC1 Amb28193191 [1,0,0,1,0,0|1,0,0]=3 1516 B11R1.203 O=CNCC1CCCSCC1 Amb35637603 [1,0,0,1,0,0|2,0,0]=4 1517 B11R1.203 O=C\C=C\C1CCCCCC1 Amb33079648 [1,0,0,1,0,0|0,0,2]=4 1518 B11R1.203 OCCCC1CCCCCC1 Amb26928808 [1,0,0,1,0,0|0,0,1]=3 1519 B11R1.203 OCCCC1CCCCCN1 Amb18199937 [1,0,0,1,0,0|1,0,1]=4 1520 B11R1.203 OCCCC1CCCCCO1 Amb27218605 [1,0,0,1,0,0|1,0,1]=4 1521 B11R1.203 OCCCC1CCCCNC1 Amb27241624 [1,0,0,1,0,0|1,0,1]=4 1522 B11R1.203 OCCCC1CCCNCC1 Amb23453247 [1,0,0,1,0,0|1,0,1]=4 1523 B11R1.203 OCCCN1CCCCCC1 Amb31188130 [1,0,0,1,0,0|1,0,1]=4 1524 B11R1.203 OCCCN1CCCCCC1 Amb8503314 [1,0,0,1,0,0|1,0,1]=4 1525 B11R1.203 OCCC[C@H]1C=CCCCC1 Amb27662385 [1,0,0,1,0,0|1,0,1]=4 1526 B11R1.203 OCCNC1CCCCCC1 Amb28960309 [1,0,0,1,0,0|1,0,1]=4 1527 B11R1.203 OCCNC1CCCCCC1 Amb9203172 [1,0,0,1,0,0|1,0,1]=4 1528 B11R1.203 OCCOC1CCCCCC1 Amb18799958 [1,0,0,1,0,0|1,0,1]=4 1529 B11R1.203 OCCSC1CCCCCC1 Amb28401295 [1,0,0,1,0,0|1,0,1]=4 1530 B11R1.203 SCCCC1CCCCCC1 Amb32881853 [1,0,0,1,0,0|0,1,0]=3 1531 B11R1.203 SCCNC1CCCCCC1 Amb26372799 [1,0,0,1,0,0|1,1,0]=4 1532 B11R1.203 SCCOC1CCCCCC1 Amb27807299 [1,0,0,1,0,0|1,1,0]=4 1533 B11R1.203 [C-]#[N+]CCC1CCCCCC1 Amb28071396 [1,0,0,1,0,0|1,0,1]=4 1534 B11R1.229 CCCCC#CC1CC1C=O Amb25725911 [1,0,0,1,0,0|0,0,2]=4 1535 B11R1.229 CCCCC#C[C@@H]1C[C@@H]1C=O Amb27629609 [1,0,0,1,0,0|0,0,2]=4 1536 B11R1.248 C=CC1CCCCNCCC1 Amb27635206 [1,0,0,1,0,0|1,0,1]=4 1537 B11R1.248 CCC1CCCCNCCC1 Amb28398141 [1,0,0,1,0,0|1,0,1]=4 1538 B11R1.248 NCC1CCCCCCCC1 Amb27645281 [1,0,0,1,0,0|1,0,0]=3 1539 B11R1.248 O=CC1=CCCCCCCC1 Amb25172766 [1,0,0,1,0,0|0,0,2]=4 1540 B11R1.248 O=CC1CCCCCCCC1 Amb27215402 [1,0,0,1,0,0|0,0,0]=2 1541 B11R1.248 O=NN1CCCCCCCC1 Amb27605593 [1,0,0,1,0,0|2,0,0]=4 1542 B11R1.248 OCC1CCCCCCCN1 Amb27463499 [1,0,0,1,0,0|1,0,1]=4 1543 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [0,1,0,1,0,0|0,0,0]=2 1544 B13R1.6 CCCCNCC1CCCC(=O)N1 Amb32721277 [0,1,0,1,0,0|1,0,0]=3 1545 B13R1.6 CCCCOCC1CCNC(=O)C1 Amb32654950 [0,1,0,1,0,0|2,0,0]=4 1546 B13R1.6 N#CCCCCC1CCCC(=O)C1 Amb6302009 [0,1,0,1,0,0|1,0,1]=4 1547 B13R1.42 NCCC(O)CCC1CCCCC1 Amb32693794 [0,1,0,1,0,0|1,0,1]=4 1548 B13R1.119 CCCCCCCCC1OCCO1 Amb22364938 [0,1,0,1,0,0|0,0,2]=4 1549 B13R1.119 CCCCCCCNC1CCCC1 Amb7757184 [0,1,0,1,0,0|1,0,1]=4 1550 B13R1.119 NCCCCCCCN1CCCC1 Amb6715013 [0,1,0,1,0,0|1,0,1]=4 1551 B13R1.190 CCCCCCC1CC(=O)OC1=O Amb33756887 [0,1,0,1,0,0|1,0,1]=4 1552 B13R1.279 CC1CCCCCCCCCCC1 Amb27263841 [0,1,0,1,0,0|1,0,1]=4 1553 B13R1.279 ClC1CCCCCCCCCCC1 Amb7766842 [0,1,0,1,0,0|1,0,1]=4 1554 B13R1.279 NC1CCCCCCCCCCC1 Amb1116041 [0,1,0,1,0,0|1,0,1]=4 1555 B13R1.279 NC1CCCCCCCCCCC1 Amb32410389 [0,1,0,1,0,0|1,0,1]=4 1556 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,1,0,1,0,0|0,0,0]=2 1557 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,1,0,1,0,0|0,0,0]=2 1558 B13R1.279 O=C1CNCCCCCCCCN1 Amb27240963 [0,1,0,1,0,0|1,0,0]=3 1559 B13R1.279 OC1CCCCCCCCCCC1 Amb532972 [0,1,0,1,0,0|0,0,2]=4 1560 B13R1.279 SC1CCCCCCCCCCC1 Amb7784773 [0,1,0,1,0,0|0,1,1]=4 1561 B13R1.289 CC1CCCCCCCCC(=O)N1 Amb28365005 [0,1,0,1,0,0|0,0,0]=2 1562 B13R1.463 C=CCC(C)C1CCCCCC1O Amb32945165 [0,1,0,1,0,0|2,0,0]=4 1563 B13R1.463 C=CCC(C)[C@@H]1CCCCC[C@H]1O Amb32950288 [0,1,0,1,0,0|2,0,0]=4 1564 B13R1.463 C=CCC(O)C1CCCCCC1N Amb35622444 [0,1,0,1,0,0|2,0,0]=4 1565 B13R1.463 CC(CCN)N1CCCCCC1=O Amb28321180 [0,1,0,1,0,0|2,0,0]=4 1566 B13R1.463 CC1CCCCCC1N(C)CC=O Amb35681312 [0,1,0,1,0,0|1,0,0]=3 1567 B13R1.463 CCCC(=O)C1CCCCCC1=O Amb26036690 [0,1,0,1,0,0|0,0,1]=3 1568 B13R1.463 CCCC(Br)C1CCCCCC1C Amb35721306 [0,1,0,1,0,0|1,0,1]=4 1569 B13R1.463 CCCC(C)C1CCCCCC1O Amb24410525 [0,1,0,1,0,0|0,0,2]=4 1570 B13R1.463 CCCC(C)[C@@H]1CCCCC[C@H]1O Amb32945557 [0,1,0,1,0,0|0,0,2]=4 1571 B13R1.463 CCCC(Cl)C1CCCCCC1C Amb35721313 [0,1,0,1,0,0|1,0,1]=4 1572 B13R1.463 CCCC(N)C1CCCCCC1C Amb35671765 [0,1,0,1,0,0|1,0,1]=4 1573 B13R1.463 CCCC(N)C1CCCCCC1O Amb35593179 [0,1,0,1,0,0|0,0,2]=4 1574 B13R1.463 CCCC(O)C1CCCCCC1C Amb35672759 [0,1,0,1,0,0|1,0,1]=4 1575 B13R1.463 CCCC(O)C1CCCCCC1N Amb35622448 [0,1,0,1,0,0|1,0,1]=4 1576 B13R1.463 CCCC(O)C1CCCCCC1O Amb28428030 [0,1,0,1,0,0|0,0,2]=4 1577 B13R1.463 CCCN(C)C1CCCCCC1=O Amb19057261 [0,1,0,1,0,0|1,0,0]=3 1578 B13R1.463 CCOC(=O)C1CCCCCC1=O Amb33538921 [0,1,0,1,0,0|1,0,1]=4 1579 B13R1.463 CN(CCO)C1CCCCCC1=O Amb18323283 [0,1,0,1,0,0|2,0,0]=4 1580 B13R1.463 COCC(=O)C1CCCCCC1=O Amb27156555 [0,1,0,1,0,0|1,0,1]=4 1581 B13R1.464 C#CCC(O)C1CCCCC1CC Amb27246994 [0,1,0,1,0,0|1,0,1]=4 1582 B13R1.464 CCC1CCCCC1C(O)CC#N Amb27627199 [0,1,0,1,0,0|1,0,1]=4 1583 B13R1.464 CCC1CCCCC1C(O)CCN Amb32694039 [0,1,0,1,0,0|1,0,1]=4 1584 B13R1.470 CCCC(C)CC1CCCCC1O Amb18328656 [0,1,0,1,0,0|0,0,2]=4 1585 B13R1.470 CCCC(C)C[C@@H]1CCCC[C@H]1O Amb32945426 [0,1,0,1,0,0|0,0,2]=4 1586 B13R1.470 CCOC(=O)CC1CCCCC1=O Amb10844666 [0,1,0,1,0,0|1,0,1]=4 1587 B13R1.603 N#CC1CCCCCCCCC1O Amb27947012 [0,1,0,1,0,0|1,0,1]=4 1588 B13R1.603 O\N=C1/CCCCCCCCC1Cl Amb27587280 [0,1,0,1,0,0|1,0,1]=4 1589 B13R1.603 [N-]=[N+]=C1CCCCCCCCC1=O Amb17594627 [0,1,0,1,0,0|1,0,1]=4 1590 B13R1.654 CCCCCCCC1CCCC1=O Amb533700 [0,1,0,1,0,0|0,0,0]=2 1591 B13R1.654 CCCCCCNC1CCCC1C Amb33496265 [0,1,0,1,0,0|1,0,1]=4 1592 B13R1.654 CCCCCCOC1CCCC1Br Amb33348483 [0,1,0,1,0,0|1,0,1]=4 1593 B13R1.654 CCCCCCOC1CCCC1I Amb33348903 [0,1,0,1,0,0|1,0,1]=4 1594 B13R1.654 COCCCCNC1CCCC1C Amb33440186 [0,1,0,1,0,0|2,0,0]=4 1595 B13R1.1293 C#CCC1(O)CCCCCC1CC Amb35721143 [0,1,0,1,0,0|1,0,1]=4 1596 B13R1.1293 C=CCC1(O)CCCCCC1CC Amb35721146 [0,1,0,1,0,0|1,0,0]=3 1597 B13R1.1293 CCC1CCCCCC1(N)CCO Amb35681119 [0,1,0,1,0,0|0,0,2]=4 1598 B13R1.1293 CCC1CCCCCC1(O)CC#N Amb35611358 [0,1,0,1,0,0|1,0,1]=4 1599 B13R1.1293 CCC1CCCCCC1(O)CC=O Amb35725689 [0,1,0,1,0,0|0,0,0]=2 1600 B13R1.1293 CCC1CCCCCC1(O)CCN Amb32694061 [0,1,0,1,0,0|1,0,1]=4 1601 B13R1.1293 CCC1CCCCCC1(O)CNC Amb35733939 [0,1,0,1,0,0|2,0,0]=4 1602 B13R1.1293 CCC1CCCCCC1(O)COC Amb35721149 [0,1,0,1,0,0|2,0,0]=4 1603 B13R1.1293 CCCC1(O)CCCCCC1CC Amb35721148 [0,1,0,1,0,0|1,0,1]=4 1604 B13R1.1464 C=CCC(N)C1CCCCCCC1 Amb27794115 [0,1,0,1,0,0|1,0,0]=3 1605 B13R1.1464 C=CCC(O)C1CCCCCCC1 Amb28125228 [0,1,0,1,0,0|1,0,0]=3 1606 B13R1.1464 C=CCN(C)C1CCCCCCC1 Amb27485649 [0,1,0,1,0,0|2,0,0]=4 1607 B13R1.1464 CCCC(Br)C1CCCCCCC1 Amb27829461 [0,1,0,1,0,0|1,0,1]=4 1608 B13R1.1464 CCCC(N)C1C=CCCCCC1 Amb29870017 [0,1,0,1,0,0|1,0,0]=3 1609 B13R1.1464 COCC(O)C1CCCCCCC1 Amb27482374 [0,1,0,1,0,0|2,0,0]=4 1610 B13R1.1464 C\C=C\C(O)C1CCCCCCC1 Amb27220111 [0,1,0,1,0,0|1,0,1]=4 1611 B13R1.1464 C\C=C\[C@@H](O)C1CCCCCCC1 Amb28065993 [0,1,0,1,0,0|1,0,1]=4 1612 B13R1.1464 NCCC(O)C1CCCCCCC1 Amb24645786 [0,1,0,1,0,0|1,0,1]=4 1613 B13R1.1464 O=CCC(O)C1CCCCCCC1 Amb28453617 [0,1,0,1,0,0|0,0,0]=2 1614 B13R1.1575 C#CCC(N)CC1CCCCCC1 Amb27881359 [0,1,0,1,0,0|1,0,1]=4 1615 B13R1.1575 N#CCC(O)CC1CCCCCC1 Amb27191551 [0,1,0,1,0,0|1,0,1]=4 1616 B13R1.1575 NC(CCO)CC1CCCCCC1 Amb32946519 [0,1,0,1,0,0|0,0,2]=4 1617 B13R1.1575 NCCC(O)CC1CCCCCC1 Amb32693782 [0,1,0,1,0,0|1,0,1]=4 1618 B13R1.1650 CCCCN1CCNC(C)CC1=O Amb27977723 [0,1,0,1,0,0|2,0,0]=4 1619 B13R1.3516 N#C[C@@H]1[C@@H](O)CCC[C@@H]1CCC=O Amb28429535 [0,1,0,1,0,0|1,0,1]=4 1620 B13R1.9128 C=CCC1(O)CCCCCCC1=O Amb24417193 [0,1,0,1,0,0|0,0,2]=4 1621 B13R1.28 BrCCCCCCN1CCCCC1 Amb33623701 [0,1,0,1,0,0|1,0,1]=4 1622 B13R1.28 CCCCCCCC1CCCCC1 Amb21618900 [0,1,0,1,0,0|1,0,1]=4 1623 B13R1.28 CCCCCCCN1CC=CCC1 Amb32428387 [0,1,0,1,0,0|1,0,1]=4 1624 B13R1.28 CCCCCCNC1CCCCC1 Amb6658030 [0,1,0,1,0,0|1,0,1]=4 1625 B13R1.28 CCCCCCNC1CCCSC1 Amb33212755 [0,1,0,1,0,0|2,0,0]=4 1626 B13R1.28 COCCCCNC1CCCCC1 Amb19075466 [0,1,0,1,0,0|2,0,0]=4 1627 B13R1.28 COCCCNCC1CCCCC1 Amb876058 [0,1,0,1,0,0|2,0,0]=4 1628 B13R1.28 NCCCCCCN1CCCCC1 Amb2613444 [0,1,0,1,0,0|1,0,1]=4 1629 B13R1.28 NCCCCCOC1CCCCC1 Amb19058200 [0,1,0,1,0,0|1,0,1]=4 1630 B13R1.28 NCCNCCCC1CCCCC1 Amb18104941 [0,1,0,1,0,0|1,0,1]=4 1631 B13R1.28 O=CCCCCCN1CCOCC1 Amb33323830 [0,1,0,1,0,0|1,0,0]=3 1632 B13R1.34 C#CCCCC1CCCCCC1O Amb24688460 [0,1,0,1,0,0|1,0,1]=4 1633 B13R1.34 C#CCCCN1CCCCCC1=O Amb27164338 [0,1,0,1,0,0|0,0,2]=4 1634 B13R1.34 C#CCCC[C@@H]1CCCCC[C@H]1O Amb32945796 [0,1,0,1,0,0|1,0,1]=4 1635 B13R1.34 C=CCCCC1CCCCCC1O Amb32944831 [0,1,0,1,0,0|1,0,0]=3 1636 B13R1.34 C=CCCC[C@@H]1CCCCC[C@H]1O Amb32944362 [0,1,0,1,0,0|1,0,0]=3 1637 B13R1.34 CC#CCCC1CCCCNC1=O Amb27791982 [0,1,0,1,0,0|0,0,2]=4 1638 B13R1.34 CC1CCCCCC1NCCC#N Amb28388311 [0,1,0,1,0,0|1,0,1]=4 1639 B13R1.34 CC1CCCCCC1NC\C=C\Cl Amb28240137 [0,1,0,1,0,0|1,0,1]=4 1640 B13R1.34 CC1CCCCCN1CCCC#N Amb27473388 [0,1,0,1,0,0|1,0,1]=4 1641 B13R1.34 CCCCCC1CCCCCC1O Amb18328651 [0,1,0,1,0,0|0,0,2]=4 1642 B13R1.34 CCCCC[C@@H]1CCCCC[C@H]1O Amb32950644 [0,1,0,1,0,0|0,0,2]=4 1643 B13R1.34 CCCCOC1CCCCCC1Br Amb32710524 [0,1,0,1,0,0|1,0,1]=4 1644 B13R1.34 CCCCOC1CCCCCC1I Amb33348106 [0,1,0,1,0,0|1,0,1]=4 1645 B13R1.34 CCCNCC1CCCCNC1=O Amb32756832 [0,1,0,1,0,0|1,0,0]=3 1646 B13R1.34 CCCOCC1CCCCCC1O Amb32950330 [0,1,0,1,0,0|0,0,2]=4 1647 B13R1.34 CCCOC[C@@H]1CCCCC[C@H]1O Amb32944327 [0,1,0,1,0,0|0,0,2]=4 1648 B13R1.34 COCCCC1CCCCCC1O Amb18329322 [0,1,0,1,0,0|0,0,2]=4 1649 B13R1.34 COCCC[C@@H]1CCCCC[C@H]1O Amb33213826 [0,1,0,1,0,0|0,0,2]=4 1650 B13R1.84 CCC1CCCCN1CCCCN Amb5357864 [0,1,0,1,0,0|1,0,1]=4 1651 B13R1.84 CCCCNC1CCCCC1OC Amb9625521 [0,1,0,1,0,0|2,0,0]=4 1652 B13R1.84 CCCCN[C@@H]1CCCC[C@H]1OC Amb31148568 [0,1,0,1,0,0|2,0,0]=4 1653 B13R1.154 C=CCOC1CCCCCCC1N Amb35710305 [0,1,0,1,0,0|2,0,0]=4 1654 B13R1.154 C=CCSC1CCCCCCC1N Amb27592675 [0,1,0,1,0,0|2,0,0]=4 1655 B13R1.154 CCCCC1C=CCCCCC1O Amb27605305 [0,1,0,1,0,0|1,0,0]=3 1656 B13R1.154 CCCOC1CCCCCCC1Br Amb24458051 [0,1,0,1,0,0|1,0,1]=4 1657 B13R1.154 CCCOC1CCCCCCC1I Amb24420928 [0,1,0,1,0,0|1,0,1]=4 1658 B13R1.154 CCCO[C@@H]1CCCCCC[C@H]1O Amb27431426 [0,1,0,1,0,0|0,0,2]=4 1659 B13R1.154 N#CCCC1CCCCCCC1=O Amb27599377 [0,1,0,1,0,0|0,0,1]=3 1660 B13R1.203 CC1CCCCCCCCCC1O Amb27650320 [0,1,0,1,0,0|0,0,2]=4 1661 B13R1.203 C[C@@H]1CCCCCCCCC[C@H]1O Amb27432179 [0,1,0,1,0,0|0,0,2]=4 1662 B13R1.203 O=C1CCCCCCCCCC1O Amb28282020 [0,1,0,1,0,0|0,0,0]=2 1663 B13R1.203 O[C@@H]1CCCCCCCCC[C@H]1O Amb27970887 [0,1,0,1,0,0|0,0,2]=4 1664 B13R1.203 O[C@H]1CCCCCCCCC[C@H]1O Amb28190320 [0,1,0,1,0,0|0,0,2]=4 1665 B13R1.207 CCNC1CCCCCCC1SC Amb27490487 [0,1,0,1,0,0|2,0,0]=4 1666 B13R1.207 CCSC1CCCCCCC1NC Amb28342708 [0,1,0,1,0,0|2,0,0]=4 1667 B13R1.225 C#CCC1CCCCCC1CNC Amb27609253 [0,1,0,1,0,0|1,0,1]=4 1668 B13R1.378 C#CCN1CCCCCCCC1=O Amb35644112 [0,1,0,1,0,0|0,0,2]=4 1669 B13R1.378 N#CCN1CCCCCCCC1=O Amb35704241 [0,1,0,1,0,0|1,0,1]=4 1670 B13R1.378 O=C1CCCCCCCN1CCBr Amb30013843 [0,1,0,1,0,0|1,0,0]=3 1671 B13R1.378 O=C1CCCCCCCN1CCCl Amb30013842 [0,1,0,1,0,0|1,0,0]=3 1672 B13R1.378 O=C1CCCCCCCN1CCS Amb30014000 [0,1,0,1,0,0|1,0,0]=3 1673 B13R1.378 O=CCN1CCCCCCCC1=O Amb35594927 [0,1,0,1,0,0|1,0,1]=4 1674 B13R1.485 N#CCCC1CCCCC1NC=O Amb18128763 [0,1,0,1,0,0|1,0,1]=4 1675 B13R1.485 N#CCC[C@@H]1CCCC[C@H]1NC=O Amb27462204 [0,1,0,1,0,0|1,0,1]=4 1676 B13R1.489 BrCCCN1CCCCCCCC1 Amb28461355 [0,1,0,1,0,0|1,0,1]=4 1677 B13R1.489 C#CCCN1CCCCCCCC1 Amb27655912 [0,1,0,1,0,0|1,0,1]=4 1678 B13R1.489 OCCCN1CCCCCCCC1 Amb28188265 [0,1,0,1,0,0|0,0,2]=4 1679 B13R1.555 CC1CCCCN1CCCCCN Amb5357883 [0,1,0,1,0,0|1,0,1]=4 1680 B13R1.555 CCCCCNC1CCCCC1C Amb4304138 [0,1,0,1,0,0|1,0,1]=4 1681 B13R1.555 CCCCCOC1CCCCC1Br Amb33349376 [0,1,0,1,0,0|1,0,1]=4 1682 B13R1.555 CCCCCOC1CCCCC1I Amb33349611 [0,1,0,1,0,0|1,0,1]=4 1683 B13R1.555 COCCCNC1CCCCC1C Amb6730175 [0,1,0,1,0,0|2,0,0]=4 1684 B13R1.560 CCCCCCCCOC1CNC1 Amb18327049 [0,1,0,1,0,0|2,0,0]=4 1685 B13R1.570 C#CCCC1CCCCCC1NC Amb28242142 [0,1,0,1,0,0|1,0,1]=4 1686 B13R1.570 C#CCNC1CCCCCC1CC Amb35725727 [0,1,0,1,0,0|1,0,1]=4 1687 B13R1.570 CCCNC1CCCCCC1C#N Amb18996787 [0,1,0,1,0,0|1,0,1]=4 1688 B13R1.570 CCCSC1CCCCCC1C#N Amb8923956 [0,1,0,1,0,0|1,0,1]=4 1689 B13R1.570 C\C=C\CN1CCCCCC1CC Amb27449087 [0,1,0,1,0,0|1,0,1]=4 1690 B13R1.602 CN[C@H]1CCCCCCC[C@H]1NC Amb27478027 [0,1,0,1,0,0|2,0,0]=4 1691 B13R1.623 COC1=NCCCCCCCCC1 Amb33621275 [0,1,0,1,0,0|1,0,1]=4 1692 B13R1.623 OCC1C=CCCCCCCCC1 Amb27651764 [0,1,0,1,0,0|1,0,0]=3 1693 B13R1.623 OCC1CCCCCCCCCC1 Amb27259064 [0,1,0,1,0,0|0,0,2]=4 1694 B13R1.655 CCCCCCCN1CCC1CN Amb33252052 [0,1,0,1,0,0|1,0,1]=4 1695 B13R1.659 BrCCCCCCCCCC1CC1 Amb32992760 [0,1,0,1,0,0|1,0,1]=4 1696 B13R1.659 CCCCCCCCCCC1CO1 Amb6600546 [0,1,0,1,0,0|0,0,2]=4 1697 B13R1.659 CCCCCCCCCNC1CC1 Amb7794379 [0,1,0,1,0,0|1,0,1]=4 1698 B13R1.659 COCCCNCCCCC1CC1 Amb32675846 [0,1,0,1,0,0|2,0,0]=4 1699 B13R1.659 NCCCCCCCCCC1CC1 Amb33167100 [0,1,0,1,0,0|1,0,1]=4 1700 B13R1.659 O=CCCCCCCCCC1CC1 Amb33167105 [0,1,0,1,0,0|0,0,0]=2 1701 B13R1.659 OCCCCCCCCCC1CC1 Amb32992804 [0,1,0,1,0,0|0,0,2]=4 1702 B13R1.1150 C#CCCCN1CCCCCCC1 Amb28457300 [0,1,0,1,0,0|1,0,1]=4 1703 B13R1.1150 C#CCCNC1CCCCCCC1 Amb28242084 [0,1,0,1,0,0|1,0,1]=4 1704 B13R1.1150 CCCCNC1CCCCCCC1 Amb6690973 [0,1,0,1,0,0|1,0,1]=4 1705 B13R1.1150 COCCNC1CCCCCCC1 Amb6685583 [0,1,0,1,0,0|2,0,0]=4 1706 B13R1.1150 N#CCCNC1CCCCCCC1 Amb2686645 [0,1,0,1,0,0|1,0,1]=4 1707 B13R1.1150 NCCCNC1CCCCCCC1 Amb17315276 [0,1,0,1,0,0|1,0,1]=4 1708 B13R1.1150 OCCCNC1CCCCCCC1 Amb6733582 [0,1,0,1,0,0|0,0,2]=4 1709 B13R1.1150 OC\C=C\CC1CCCCCCC1 Amb28350280 [0,1,0,1,0,0|0,0,2]=4 1710 B13R1.1887 CCCCCCC1CCCCCN1 Amb2235791 [0,1,0,1,0,0|1,0,1]=4 1711 B13R1.1887 COCCCNC1CCCCCC1 Amb35752095 [0,1,0,1,0,0|2,0,0]=4 1712 B13R1.1887 COCCCNC1CCCCCC1 Amb6730166 [0,1,0,1,0,0|2,0,0]=4 1713 B13R1.1887 NCCCCCN1CCCCCC1 Amb5357890 [0,1,0,1,0,0|1,0,1]=4 1714 B13R1.1887 NCCCCOC1CCCCCC1 Amb19058185 [0,1,0,1,0,0|1,0,1]=4 1715 B13R1.2883 C1CCCCCCNCCCCC1 Amb6360407 [0,1,0,1,0,0|1,0,1]=4 1716 B13R1.2883 C1CCCCNCCCNCCC1 Amb27415631 [0,1,0,1,0,0|1,0,1]=4 1717 B13R1.24 O=CCCNC(=O)C1CCCCC1 Amb17102172 [0,1,0,1,0,0|1,0,1]=4 1718 B13R1.48 CCCCCCC(O)C1CCCC1 Amb532964 [0,1,0,1,0,0|1,0,1]=4 1719 B13R1.486 O=C1CCCCCC(CCCO)N1 Amb18191307 [0,1,0,1,0,0|1,0,0]=3 1720 B13R1.556 C#CCCC1CC(N)CCC1CC Amb32866393 [0,1,0,1,0,0|1,0,1]=4 1721 B13R1.666 C=CC1CCCC(NCCCC)C1 Amb33189027 [0,1,0,1,0,0|2,0,0]=4 1722 B13R1.725 CCCCCC(=O)C1CCCC1=O Amb33355376 [0,1,0,1,0,0|0,0,1]=3 1723 B13R1.725 CCCCOC(=O)C1CCCC1=O Amb3940590 [0,1,0,1,0,0|1,0,1]=4 1724 B13R1.725 CCOCCC(=O)C1CCCC1=O Amb18326275 [0,1,0,1,0,0|1,0,1]=4 1725 B13R1.1248 C#CCC1CC(N)CCC1CCC Amb32866488 [0,1,0,1,0,0|1,0,1]=4 1726 B13R1.1604 C=CCCN1CC(C)CCCC1C Amb27970726 [0,1,0,1,0,0|2,0,0]=4 1727 B13R1.1604 CCCCN1CC(C)CNCC1=O Amb24429926 [0,1,0,1,0,0|2,0,0]=4 1728 B13R1.1604 CCCCN1CC(C)NCCC1=O Amb26058046 [0,1,0,1,0,0|2,0,0]=4 1729 B13R1.1627 C=C1CCCCC(O)C1CCCC Amb27456456 [0,1,0,1,0,0|1,0,0]=3 1730 B13R1.1627 C=C1CCCC[C@@H](O)[C@@H]1CCCC Amb27792971 [0,1,0,1,0,0|1,0,0]=3 1731 B13R1.1627 CCCCN1C(=O)CCCCC1=O Amb27752704 [0,1,0,1,0,0|1,0,1]=4 1732 B13R1.1627 CCCCN1C(=O)CCNCC1C Amb25816934 [0,1,0,1,0,0|2,0,0]=4 1733 B13R1.1627 CCCCN1C(=O)CNCCC1C Amb26515026 [0,1,0,1,0,0|2,0,0]=4 1734 B13R1.2457 C#CCCCC1(N)CCCCC1C Amb35686416 [0,1,0,1,0,0|1,0,1]=4 1735 B13R1.2457 CC1CCCCC1(O)C#CCC=O Amb27230609 [0,1,0,1,0,0|0,0,2]=4 1736 B13R1.2465 C#CCCCC1(N)CCCCCC1 Amb35686418 [0,1,0,1,0,0|1,0,1]=4 1737 B13R1.3803 O=C1CCCCCC(O)CCCO1 Amb28205496 [0,1,0,1,0,0|1,0,0]=3 1738 B13R1.8919 CC1CCCC(C)N1CCNC=O Amb27860145 [0,1,0,1,0,0|2,0,0]=4 1739 B13R1.44 C=CCNC(C)CC1CCCCC1 Amb33068316 [0,1,0,1,0,0|2,0,0]=4 1740 B13R1.487 CCCC[C@H]1CCCC[C@H](O)CC1 Amb28345404 [0,1,0,1,0,0|1,0,1]=4 1741 B13R1.500 CCCCC1CCC(CCCC)N1 Amb32716615 [0,1,0,1,0,0|1,0,1]=4 1742 B13R1.656 C#CCCCC1CC(N)CCC1C Amb32866324 [0,1,0,1,0,0|1,0,1]=4 1743 B13R1.674 COCCC(=O)C1CCCCC1=O Amb18326274 [0,1,0,1,0,0|1,0,1]=4 1744 B13R1.684 CCCCC(=O)N1CCCC1C=O Amb17080580 [0,1,0,1,0,0|1,0,1]=4 1745 B13R1.1927 CC1CCC(=O)N(CCCBr)CC1 Amb27973188 [0,1,0,1,0,0|2,0,0]=4 1746 B13R1.1927 CCCCN1CCC(C)NCC1=O Amb25214620 [0,1,0,1,0,0|2,0,0]=4 1747 B13R1.1927 CNCCN1CCC(C)CCC1=O Amb27168913 [0,1,0,1,0,0|2,0,0]=4 1748 B13R1.1944 C[C@]1(CCC#N)CCCCC1C=O Amb28201058 [0,1,0,1,0,0|1,0,1]=4 1749 B13R1.1958 C#CCCC1(O)CCCCCC1C Amb35721275 [0,1,0,1,0,0|1,0,1]=4 1750 B13R1.1958 C=CCCC1(O)CCCCCC1C Amb35721278 [0,1,0,1,0,0|1,0,0]=3 1751 B13R1.1958 CC1CCCCCC1(O)CCC=O Amb35725692 [0,1,0,1,0,0|0,0,0]=2 1752 B13R1.1958 CCCCC1(O)CCCCCC1C Amb35717681 [0,1,0,1,0,0|1,0,1]=4 1753 B13R1.1958 C[C@@]1(CCCCl)CCCCNC1=O Amb27771945 [0,1,0,1,0,0|2,0,0]=4 1754 B13R1.1959 C#CCCC1(N)CCCCCCC1 Amb35606691 [0,1,0,1,0,0|1,0,1]=4 1755 B13R1.1959 C=CCCC1(N)CCCCCCC1 Amb35615128 [0,1,0,1,0,0|1,0,0]=3 1756 B13R1.1959 COCCC1(N)CCCCCCC1 Amb28454295 [0,1,0,1,0,0|2,0,0]=4 1757 B13R1.1959 CSCCC1(N)CCCCCCC1 Amb27604699 [0,1,0,1,0,0|2,0,0]=4 1758 B13R1.1959 C\C=C\CC1(N)CCCCCCC1 Amb35643039 [0,1,0,1,0,0|1,0,1]=4 1759 B13R1.1959 NC1(CCCF)CCCCCCC1 Amb27769082 [0,1,0,1,0,0|1,0,1]=4 1760 B13R1.1959 NC1(CCCO)CCCCCCC1 Amb35626964 [0,1,0,1,0,0|0,0,2]=4 1761 B13R1.1959 NC1(C\C=C\Cl)CCCCCCC1 Amb35657855 [0,1,0,1,0,0|1,0,1]=4 1762 B13R1.2488 C#CCCC(N)C1CCCCCC1 Amb28243454 [0,1,0,1,0,0|1,0,1]=4 1763 B13R1.2488 C\C=C\CC(N)C1CCCCCC1 Amb35592852 [0,1,0,1,0,0|1,0,1]=4 1764 B13R1.2488 NC(C\C=C\Cl)C1CCCCCC1 Amb30029407 [0,1,0,1,0,0|1,0,1]=4 1765 B13R1.4102 CCC1CN(C)CCCN1CC=O Amb27852743 [0,1,0,1,0,0|2,0,0]=4 1766 B13R1.90 CCC1CCCCC1OCC(=O)O Amb6281025 [0,1,0,1,0,0|1,0,0]=3 1767 B13R1.90 CCC1CCCCC1\C=C\C(=O)O Amb27626367 [0,1,0,1,0,0|0,0,2]=4 1768 B13R1.90 CCC1CCCCN1CCC(=O)Cl Amb17143287 [0,1,0,1,0,0|1,0,0]=3 1769 B13R1.90 CCC1CCCCN1CCC(=O)O Amb21955365 [0,1,0,1,0,0|1,0,0]=3 1770 B13R1.90 CCC1CCCCN1CCC(=O)O Amb5760925 [0,1,0,1,0,0|1,0,0]=3 1771 B13R1.90 CCC1CCCCN1CCC(C)=O Amb8872862 [0,1,0,1,0,0|1,0,0]=3 1772 B13R1.90 CCN1CCCCC1CNC(N)=O Amb27823872 [0,1,0,1,0,0|2,0,0]=4 1773 B13R1.90 CCN1CCCCC1COC(=O)Cl Amb33297367 [0,1,0,1,0,0|2,0,0]=4 1774 B13R1.90 COC1CCCCC1CNC(N)=O Amb27769616 [0,1,0,1,0,0|2,0,0]=4 1775 B13R1.90 COC1CCCCC1NCC(=O)O Amb9640481 [0,1,0,1,0,0|2,0,0]=4 1776 B13R1.90 COC1CCCCC1NCC(N)=O Amb9620810 [0,1,0,1,0,0|2,0,0]=4 1777 B13R1.90 C\C=C1\CCCCC1CCC(=O)O Amb27649352 [0,1,0,1,0,0|0,0,2]=4 1778 B13R1.90 NC[C@@H]1CCCCN1CCC(=O)O Amb33218409 [0,1,0,1,0,0|2,0,0]=4 1779 B13R1.90 NC[C@H]1CCCCN1CCC(=O)O Amb33218357 [0,1,0,1,0,0|2,0,0]=4 1780 B13R1.158 CC(=O)NCCC1CCCCC1=O Amb28287293 [0,1,0,1,0,0|1,0,1]=4 1781 B13R1.158 CC(=O)NCCC1CCCCC1O Amb33229060 [0,1,0,1,0,0|2,0,0]=4 1782 B13R1.158 CC(=O)NCCC1NCCCC1C Amb35731467 [0,1,0,1,0,0|2,0,0]=4 1783 B13R1.158 CC(=O)NCCN1CCCCC1C Amb27605089 [0,1,0,1,0,0|2,0,0]=4 1784 B13R1.158 CC(C)=CCCC1CCCCC1=O Amb30023746 [0,1,0,1,0,0|0,0,2]=4 1785 B13R1.158 CC(C)CCCC1CCCCC1O Amb32951019 [0,1,0,1,0,0|0,0,2]=4 1786 B13R1.158 CC(C)CCC[C@@H]1CCCC[C@H]1O Amb32944405 [0,1,0,1,0,0|0,0,2]=4 1787 B13R1.158 CC(C)CNCC1CCCNC1=O Amb32756841 [0,1,0,1,0,0|2,0,0]=4 1788 B13R1.158 CC(O)\C=C\CC1CCCCC1=O Amb27757406 [0,1,0,1,0,0|0,0,2]=4 1789 B13R1.158 CC1CCCCC1NCCC(=O)O Amb7755666 [0,1,0,1,0,0|1,0,0]=3 1790 B13R1.158 CC1CCCCC1NCCC(N)=S Amb17315343 [0,1,0,1,0,0|1,1,0]=4 1791 B13R1.158 CC1CCCCN1CCCC(=O)O Amb5761440 [0,1,0,1,0,0|1,0,0]=3 1792 B13R1.158 CC1CCCNC1CCNC(N)=O Amb35716590 [0,1,0,1,0,0|2,0,0]=4 1793 B13R1.158 CN1CCCCC1CCCC(=O)O Amb33322459 [0,1,0,1,0,0|1,0,0]=3 1794 B13R1.158 CN1CCCCC1CNCC(=O)O Amb18313080 [0,1,0,1,0,0|2,0,0]=4 1795 B13R1.158 CN1CCCCC1COCC(=O)O Amb8010336 [0,1,0,1,0,0|2,0,0]=4 1796 B13R1.158 O=C(O)CCCC1CCCCC1=O Amb17594755 [0,1,0,1,0,0|1,0,1]=4 1797 B13R1.167 CN1CCCC1CCCCC(=O)O Amb33320357 [0,1,0,1,0,0|1,0,0]=3 1798 B13R1.224 C=CCC1CCCCCC1C(=O)O Amb28423343 [0,1,0,1,0,0|0,0,2]=4 1799 B13R1.224 CC(C)C1CCCCCC1CCN Amb35733869 [0,1,0,1,0,0|1,0,1]=4 1800 B13R1.224 CCNC1CCCCCC1C(N)=O Amb27804671 [0,1,0,1,0,0|1,0,0]=3 1801 B13R1.224 CCNC1CCCCCC1S(C)=O Amb27873686 [0,1,0,1,0,0|2,0,0]=4 1802 B13R1.224 NCCN1CCCCCC1C(=O)O Amb27444112 [0,1,0,1,0,0|2,0,0]=4 1803 B13R1.280 C=C(C)CCC1CCCCCC1N Amb27865273 [0,1,0,1,0,0|2,0,0]=4 1804 B13R1.280 C=C(C)CCC1CCCCCC1O Amb26330320 [0,1,0,1,0,0|2,0,0]=4 1805 B13R1.280 C=C(C)CC[C@@H]1CCCCC[C@H]1O Amb33213344 [0,1,0,1,0,0|2,0,0]=4 1806 B13R1.280 C=C(C)CNC1CCCCCC1C Amb27181020 [0,1,0,1,0,0|2,0,0]=4 1807 B13R1.280 CC(=O)CCN1CCCCCC1=O Amb27608223 [0,1,0,1,0,0|1,0,1]=4 1808 B13R1.280 CC(=O)CCN1CCCOCC1C Amb27804744 [0,1,0,1,0,0|2,0,0]=4 1809 B13R1.280 CC(=O)CSC1CCCCCC1=O Amb28283835 [0,1,0,1,0,0|1,0,1]=4 1810 B13R1.280 CC(C)CCC1CCCCCC1O Amb18328653 [0,1,0,1,0,0|0,0,2]=4 1811 B13R1.280 CC(C)CCN1CCCNCC1=O Amb25726718 [0,1,0,1,0,0|2,0,0]=4 1812 B13R1.280 CC(C)CCN1CCNCCC1=O Amb27812298 [0,1,0,1,0,0|2,0,0]=4 1813 B13R1.280 CC(C)CC[C@@H]1CCCCC[C@H]1O Amb33213550 [0,1,0,1,0,0|0,0,2]=4 1814 B13R1.280 CC(C)CNC1CCCCNC1=O Amb6707290 [0,1,0,1,0,0|2,0,0]=4 1815 B13R1.280 CC(N)COC1CCCCNC1=O Amb35735016 [0,1,0,1,0,0|2,0,0]=4 1816 B13R1.280 CC(N)CSC1CCCCNC1=O Amb27596320 [0,1,0,1,0,0|2,0,0]=4 1817 B13R1.280 CC(O)CCC1CCCCNC1=O Amb25153793 [0,1,0,1,0,0|1,0,0]=3 1818 B13R1.280 CC(O)CCN1CCCCCC1=O Amb19075285 [0,1,0,1,0,0|1,0,0]=3 1819 B13R1.280 CC(O)CCN1CCNCCC1=O Amb35641612 [0,1,0,1,0,0|2,0,0]=4 1820 B13R1.280 CC1CCCCCN1CCC(N)=S Amb27761041 [0,1,0,1,0,0|1,1,0]=4 1821 B13R1.280 CC1COCCCN1CCC(N)=O Amb28078627 [0,1,0,1,0,0|2,0,0]=4 1822 B13R1.280 CN1CCCCCC1CCC(=O)O Amb18191306 [0,1,0,1,0,0|1,0,0]=3 1823 B13R1.280 CS(=O)CCC1CCCCCC1Cl Amb27879969 [0,1,0,1,0,0|2,0,0]=4 1824 B13R1.280 NC(=O)COC1CCCCCC1N Amb27596830 [0,1,0,1,0,0|2,0,0]=4 1825 B13R1.280 NC(=O)CSC1CCCCCC1O Amb27394341 [0,1,0,1,0,0|2,0,0]=4 1826 B13R1.280 O=C(O)CCC1CCCCCC1=O Amb18822898 [0,1,0,1,0,0|1,0,1]=4 1827 B13R1.280 O=C(O)CC[C@H]1CCCCCC1=O Amb28366204 [0,1,0,1,0,0|1,0,1]=4 1828 B13R1.280 O=C(O)CNC1CCCCCC1O Amb28315346 [0,1,0,1,0,0|2,0,0]=4 1829 B13R1.280 O=C(O)CSC1CCCCCC1O Amb27401645 [0,1,0,1,0,0|2,0,0]=4 1830 B13R1.283 C=C1CCCCCCC1CN(C)C Amb6360183 [0,1,0,1,0,0|2,0,0]=4 1831 B13R1.283 CC(=O)OC1CCCCCCC1O Amb28146133 [0,1,0,1,0,0|2,0,0]=4 1832 B13R1.283 CC(=O)O[C@@H]1CCCCCC[C@H]1O Amb27447910 [0,1,0,1,0,0|2,0,0]=4 1833 B13R1.283 CC(=O)O[C@H]1CCCCCC[C@@H]1Cl Amb28344689 [0,1,0,1,0,0|2,0,0]=4 1834 B13R1.283 CC(O)CN1CCCCCCC1=O Amb19057980 [0,1,0,1,0,0|1,0,0]=3 1835 B13R1.283 CN(C)CC1CCCCCCC1=O Amb26946702 [0,1,0,1,0,0|1,0,0]=3 1836 B13R1.283 C[C@H](N)CN1CCCCCCC1=O Amb27241926 [0,1,0,1,0,0|1,0,0]=3 1837 B13R1.283 NC1CCCCCCC1CC(=O)O Amb32863475 [0,1,0,1,0,0|1,0,0]=3 1838 B13R1.337 CC(=O)CCCCN1CCOCC1 Amb9659035 [0,1,0,1,0,0|2,0,0]=4 1839 B13R1.337 NC(=O)CNCCC1CCCCC1 Amb13952496 [0,1,0,1,0,0|1,0,0]=3 1840 B13R1.337 O=C(O)C#CCCC1CCCCC1 Amb27947677 [0,1,0,1,0,0|0,0,2]=4 1841 B13R1.337 O=C(O)CCCCC1CCCCC1 Amb22336378 [0,1,0,1,0,0|0,0,0]=2 1842 B13R1.337 O=C(O)CCCCC1CCCCN1 Amb32430376 [0,1,0,1,0,0|1,0,0]=3 1843 B13R1.337 O=C(O)CCCCC1CCCOC1 Amb33229244 [0,1,0,1,0,0|1,0,0]=3 1844 B13R1.337 O=C(O)CCCCC1CCOCC1 Amb33229243 [0,1,0,1,0,0|1,0,0]=3 1845 B13R1.337 O=C(O)CCCCN1CCCCC1 Amb19373622 [0,1,0,1,0,0|1,0,0]=3 1846 B13R1.337 O=C(O)CCCCN1CCNCC1 Amb17479004 [0,1,0,1,0,0|2,0,0]=4 1847 B13R1.337 O=C(O)CCCCN1CCOCC1 Amb32956216 [0,1,0,1,0,0|2,0,0]=4 1848 B13R1.337 O=C(O)CCCCN1CCOCC1 Amb7783149 [0,1,0,1,0,0|2,0,0]=4 1849 B13R1.337 O=C(O)CCCOC1CCOCC1 Amb19046913 [0,1,0,1,0,0|2,0,0]=4 1850 B13R1.337 O=C(O)CCCSC1CCCCC1 Amb32411477 [0,1,0,1,0,0|1,0,0]=3 1851 B13R1.337 O=C(O)CCCSC1CCNCC1 Amb17502196 [0,1,0,1,0,0|2,0,0]=4 1852 B13R1.337 O=C(O)CCNCC1CCCCC1 Amb8830821 [0,1,0,1,0,0|1,0,0]=3 1853 B13R1.337 O=C(O)CCSCC1CCCCC1 Amb6260195 [0,1,0,1,0,0|1,0,0]=3 1854 B13R1.337 O=C(O)CNCCN1CCCCC1 Amb9325913 [0,1,0,1,0,0|2,0,0]=4 1855 B13R1.337 O=C(O)COCCC1CCCCN1 Amb18628209 [0,1,0,1,0,0|2,0,0]=4 1856 B13R1.337 O=C(O)COCCN1CCCCC1 Amb33620646 [0,1,0,1,0,0|2,0,0]=4 1857 B13R1.337 O=C(O)COCCN1CCCCC1 Amb33732301 [0,1,0,1,0,0|2,0,0]=4 1858 B13R1.337 O=C(O)CSCCN1CCCCC1 Amb6745655 [0,1,0,1,0,0|2,0,0]=4 1859 B13R1.337 O=C(O)\C=C\CCC1CCCCC1 Amb33470091 [0,1,0,1,0,0|0,0,2]=4 1860 B13R1.343 CC(=O)NCCCCN1CCCC1 Amb13848931 [0,1,0,1,0,0|2,0,0]=4 1861 B13R1.343 O=C(O)CCCCCC1CCCC1 Amb33172440 [0,1,0,1,0,0|0,0,0]=2 1862 B13R1.343 O=C(O)CCCCCN1CCCC1 Amb32953909 [0,1,0,1,0,0|1,0,0]=3 1863 B13R1.343 O=C(O)CCCCOC1CCCC1 Amb9207783 [0,1,0,1,0,0|1,0,0]=3 1864 B13R1.343 O=C(O)CCNCCN1CCCC1 Amb9240770 [0,1,0,1,0,0|2,0,0]=4 1865 B13R1.343 O=C(O)CCSCCN1CCCC1 Amb6745718 [0,1,0,1,0,0|2,0,0]=4 1866 B13R1.343 O=C(O)CNCCCN1CCCC1 Amb19058449 [0,1,0,1,0,0|2,0,0]=4 1867 B13R1.380 CC(=O)C[C@@H]1CCCC[C@H]1CC#N Amb28194621 [0,1,0,1,0,0|1,0,1]=4 1868 B13R1.380 CC(=O)NC1CCCCC1CC=O Amb28197195 [0,1,0,1,0,0|1,0,1]=4 1869 B13R1.380 CCCC1CCCCC1NC(N)=O Amb28051036 [0,1,0,1,0,0|1,0,0]=3 1870 B13R1.380 CCOC1COCCC1CC(=O)O Amb18821116 [0,1,0,1,0,0|2,0,0]=4 1871 B13R1.380 CCSC1CCCCC1NC(C)=O Amb28342862 [0,1,0,1,0,0|2,0,0]=4 1872 B13R1.380 CCSC1CCCCC1NC(N)=O Amb28352300 [0,1,0,1,0,0|2,0,0]=4 1873 B13R1.380 COCC1CCCCN1CC(=O)O Amb21865524 [0,1,0,1,0,0|2,0,0]=4 1874 B13R1.380 O=C(O)CN1CCCCC1CCO Amb6651199 [0,1,0,1,0,0|2,0,0]=4 1875 B13R1.572 C#CCCC1CCCCC1C(=O)O Amb27589249 [0,1,0,1,0,0|0,0,2]=4 1876 B13R1.572 CC(F)C1CCCCC1CN=C=O Amb27647015 [0,1,0,1,0,0|1,0,1]=4 1877 B13R1.572 CCCCC1CCCNC1C(=O)O Amb33500830 [0,1,0,1,0,0|1,0,0]=3 1878 B13R1.572 CCCCC1CCNCC1C(=O)O Amb33500858 [0,1,0,1,0,0|1,0,0]=3 1879 B13R1.572 CCCCC1CNCCC1C(=O)O Amb33500839 [0,1,0,1,0,0|1,0,0]=3 1880 B13R1.572 CCCCC1NCCCC1C(=O)O Amb33500838 [0,1,0,1,0,0|1,0,0]=3 1881 B13R1.572 CCCCN1CCCCC1C(=O)O Amb13886354 [0,1,0,1,0,0|1,0,0]=3 1882 B13R1.572 CCCCN1CCCCC1C(=O)O Amb2382770 [0,1,0,1,0,0|1,0,0]=3 1883 B13R1.572 CCCCN1CCOCC1C(=O)O Amb24271291 [0,1,0,1,0,0|2,0,0]=4 1884 B13R1.572 CCNCC1CCCCN1C(C)=O Amb21860340 [0,1,0,1,0,0|2,0,0]=4 1885 B13R1.572 [C-]#[N+]CCC1CCCCC1C(C)F Amb27864510 [0,1,0,1,0,0|2,0,0]=4 1886 B13R1.578 COCCN1CCCC1CC(=O)[O-] Amb19514745 [0,1,0,1,0,0|2,0,0]=4 1887 B13R1.610 CCC1CCCCCC1CC(=O)O Amb35721706 [0,1,0,1,0,0|0,0,0]=2 1888 B13R1.610 CCC1CCCCCC1NC(C)=O Amb2227899 [0,1,0,1,0,0|1,0,0]=3 1889 B13R1.610 CCC1CCCCCN1CC(C)=O Amb28250568 [0,1,0,1,0,0|1,0,0]=3 1890 B13R1.610 CCC1CCCCC\C1=C/C(=O)O Amb35721261 [0,1,0,1,0,0|0,0,2]=4 1891 B13R1.610 CCC1CCCCC\C1=C/C(C)=O Amb35734056 [0,1,0,1,0,0|0,0,2]=4 1892 B13R1.610 CC[C@@H]1NCCCC[C@H]1CC(=O)O Amb18191310 [0,1,0,1,0,0|1,0,0]=3 1893 B13R1.610 CC[C@H]1CCCCC[C@@H]1NC(C)=O Amb27969225 [0,1,0,1,0,0|1,0,0]=3 1894 B13R1.610 CNC1CCCCCC1CC(C)C Amb18326148 [0,1,0,1,0,0|2,0,0]=4 1895 B13R1.610 COC1CCCCCC1CC(=O)O Amb18822015 [0,1,0,1,0,0|1,0,0]=3 1896 B13R1.610 COC1CCCCCC1NC(C)=O Amb28283624 [0,1,0,1,0,0|2,0,0]=4 1897 B13R1.610 CO[C@@H]1CCNCC[C@H]1CC(N)=O Amb30530058 [0,1,0,1,0,0|2,0,0]=4 1898 B13R1.610 N#CC1CCCCCC1CC(=O)O Amb29854449 [0,1,0,1,0,0|1,0,1]=4 1899 B13R1.610 NC(=O)CN1CCCCCC1CO Amb27810697 [0,1,0,1,0,0|2,0,0]=4 1900 B13R1.610 NC(=O)NC1CCCCCC1CO Amb28182914 [0,1,0,1,0,0|2,0,0]=4 1901 B13R1.614 C=CC1CCCCCCC1C(=O)O Amb27872195 [0,1,0,1,0,0|0,0,2]=4 1902 B13R1.614 CCN1CCCCCCC1C(=O)O Amb28249659 [0,1,0,1,0,0|1,0,0]=3 1903 B13R1.668 C#CCCCC1CCCCC1(C)O Amb32950631 [0,1,0,1,0,0|1,0,1]=4 1904 B13R1.668 C#CCCC[C@@H]1CCCC[C@@]1(C)O Amb33213409 [0,1,0,1,0,0|1,0,1]=4 1905 B13R1.668 C=CCCCC1CCCCC1(C)O Amb32944866 [0,1,0,1,0,0|1,0,0]=3 1906 B13R1.668 C=CCCC[C@@H]1CCCC[C@@]1(C)O Amb33213934 [0,1,0,1,0,0|1,0,0]=3 1907 B13R1.668 CCCCCC1CCCCC1(C)O Amb32945009 [0,1,0,1,0,0|0,0,2]=4 1908 B13R1.668 CCCCC[C@@H]1CCCC[C@@]1(C)O Amb32944703 [0,1,0,1,0,0|0,0,2]=4 1909 B13R1.668 COCCCC1CCCCC1(C)O Amb33507139 [0,1,0,1,0,0|2,0,0]=4 1910 B13R1.668 COCCC[C@@H]1CCCC[C@@]1(C)O Amb32950635 [0,1,0,1,0,0|2,0,0]=4 1911 B13R1.1009 O=C(O)C1CCCCCCCCN1 Amb27392275 [0,1,0,1,0,0|1,0,0]=3 1912 B13R1.1022 C=C(C)CNC1CCCCCCC1 Amb17308786 [0,1,0,1,0,0|2,0,0]=4 1913 B13R1.1022 CC(=O)\N=C\C1CCCCCCC1 Amb26953639 [0,1,0,1,0,0|1,0,1]=4 1914 B13R1.1022 CC(N)COC1C=CCCCCC1 Amb35735015 [0,1,0,1,0,0|2,0,0]=4 1915 B13R1.1022 CC(O)CNC1C=CCCCCC1 Amb27463864 [0,1,0,1,0,0|2,0,0]=4 1916 B13R1.1022 NC(=O)NNC1CCCCCCC1 Amb27848563 [0,1,0,1,0,0|2,0,0]=4 1917 B13R1.1022 NC(=O)\C=C\C1CCCCCCC1 Amb25791108 [0,1,0,1,0,0|0,0,2]=4 1918 B13R1.1022 O=C(O)CCC1CCCCCCC1 Amb27605503 [0,1,0,1,0,0|0,0,0]=2 1919 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb21955684 [0,1,0,1,0,0|1,0,0]=3 1920 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb6646779 [0,1,0,1,0,0|1,0,0]=3 1921 B13R1.1022 O=C(O)COC1CCCCCCC1 Amb28385714 [0,1,0,1,0,0|1,0,0]=3 1922 B13R1.1022 O=C(O)\C=C\C1CCCCCCC1 Amb24397482 [0,1,0,1,0,0|0,0,2]=4 1923 B13R1.1052 O=C(O)CCCCCCCC1CC1 Amb33167110 [0,1,0,1,0,0|0,0,0]=2 1924 B13R1.1052 O=C(O)CCOCCOCC1CC1 Amb33167111 [0,1,0,1,0,0|2,0,0]=4 1925 B13R1.1107 CC(=O)CN1CCCCCCCC1 Amb27596192 [0,1,0,1,0,0|1,0,0]=3 1926 B13R1.1107 N=C(N)CN1CCCCCCCC1 Amb27669483 [0,1,0,1,0,0|2,0,0]=4 1927 B13R1.1107 NC(=O)CN1CCCCCCCC1 Amb28254750 [0,1,0,1,0,0|1,0,0]=3 1928 B13R1.1107 O=C(O)CC1=CCCCCCCC1 Amb28324566 [0,1,0,1,0,0|0,0,2]=4 1929 B13R1.1988 CC(=O)NCCN1CCCCCC1 Amb25897411 [0,1,0,1,0,0|2,0,0]=4 1930 B13R1.1988 CC(=O)NOCC1CCCCCC1 Amb27806373 [0,1,0,1,0,0|2,0,0]=4 1931 B13R1.1988 CC(C)=CCCC1CCCCCC1 Amb35588025 [0,1,0,1,0,0|1,0,1]=4 1932 B13R1.1988 NC(=O)CCNC1CCCCCC1 Amb8858451 [0,1,0,1,0,0|1,0,0]=3 1933 B13R1.1988 NC(=O)NOCC1CCCCCC1 Amb27467105 [0,1,0,1,0,0|2,0,0]=4 1934 B13R1.1988 O=C(O)C#CCC1CCCCCC1 Amb27238099 [0,1,0,1,0,0|0,0,2]=4 1935 B13R1.1988 O=C(O)CCCC1CCCCCC1 Amb33470260 [0,1,0,1,0,0|0,0,0]=2 1936 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb10072744 [0,1,0,1,0,0|1,0,0]=3 1937 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb5501646 [0,1,0,1,0,0|1,0,0]=3 1938 B13R1.1988 O=C(O)\C=C\CC1CCCCCC1 Amb26047869 [0,1,0,1,0,0|0,0,2]=4 1939 B13R1.3435 NCCCCCN1CCC1C(N)=O Amb33195369 [0,1,0,1,0,0|2,0,0]=4 1940 B13R1.16 CC1CCCC(CCCC#N)C1=O Amb27970149 [0,1,0,1,0,0|1,0,1]=4 1941 B13R1.91 O=CC1CCCCN1CC(O)CF Amb33495453 [0,1,0,1,0,0|2,0,0]=4 1942 B13R1.527 C=C(CC)CC1CCCCNC1=O Amb27411170 [0,1,0,1,0,0|1,0,1]=4 1943 B13R1.527 CC(CBr)CN1CCCCCC1=O Amb28193317 [0,1,0,1,0,0|2,0,0]=4 1944 B13R1.527 CC(CO)CC1CCCCNC1=O Amb25155659 [0,1,0,1,0,0|2,0,0]=4 1945 B13R1.527 CC(CO)CN1CCCCCC1=O Amb28059333 [0,1,0,1,0,0|2,0,0]=4 1946 B13R1.527 CCC(C)CC1CCCCCC1N Amb18328402 [0,1,0,1,0,0|1,0,1]=4 1947 B13R1.527 CCC(C)CC1CCCCCC1O Amb18328654 [0,1,0,1,0,0|0,0,2]=4 1948 B13R1.527 CCC(C)CC1NCCCNC1=O Amb32719954 [0,1,0,1,0,0|2,0,0]=4 1949 B13R1.527 CCC(C)CN1CCNCCC1=O Amb35641579 [0,1,0,1,0,0|2,0,0]=4 1950 B13R1.527 CCC(C)C[C@@H]1CCCCC[C@H]1O Amb32945789 [0,1,0,1,0,0|0,0,2]=4 1951 B13R1.527 CCC(O)CC1CCCCNC1=O Amb24554974 [0,1,0,1,0,0|1,0,0]=3 1952 B13R1.527 CNC(C)CN1CCCCCC1=O Amb18294584 [0,1,0,1,0,0|2,0,0]=4 1953 B13R1.527 COC(=O)CC1CCCCCC1=O Amb25134202 [0,1,0,1,0,0|1,0,1]=4 1954 B13R1.527 O=C1NCCCCC1CC(O)CF Amb24691499 [0,1,0,1,0,0|2,0,0]=4 1955 B13R1.527 O=C1NCCCCC1CC(O)CO Amb25198223 [0,1,0,1,0,0|2,0,0]=4 1956 B13R1.528 COC(=O)CCC1CCCCC1=O Amb576431 [0,1,0,1,0,0|1,0,1]=4 1957 B13R1.528 N#CC(Cl)CCC1CCCCC1=O Amb18653161 [0,1,0,1,0,0|1,0,1]=4 1958 B13R1.546 CCC(O)C1CCCCCCC1=O Amb28455106 [0,1,0,1,0,0|0,0,0]=2 1959 B13R1.546 COC(=O)C1CCCCCCC1=O Amb22270247 [0,1,0,1,0,0|1,0,1]=4 1960 B13R1.611 CC(C=O)N1CCCCCC1CO Amb35647410 [0,1,0,1,0,0|2,0,0]=4 1961 B13R1.611 CCC(Br)C1CCCCCC1CC Amb35721292 [0,1,0,1,0,0|1,0,1]=4 1962 B13R1.611 CCC(C)C1CCCCCC1CN Amb28136258 [0,1,0,1,0,0|1,0,1]=4 1963 B13R1.611 CCC(C)C1CCCCCC1NC Amb27258635 [0,1,0,1,0,0|2,0,0]=4 1964 B13R1.611 CCC(Cl)C1CCCCCC1CC Amb35721291 [0,1,0,1,0,0|1,0,1]=4 1965 B13R1.611 CCC(N)C1CCCCCC1CC Amb35671755 [0,1,0,1,0,0|1,0,1]=4 1966 B13R1.611 CCC(O)C1CCCCCC1CC Amb35672752 [0,1,0,1,0,0|1,0,1]=4 1967 B13R1.611 CCC1CCCCCC1C(C)NC Amb35671756 [0,1,0,1,0,0|2,0,0]=4 1968 B13R1.611 CCC1CCCCCN1C(C)C=O Amb35647307 [0,1,0,1,0,0|1,0,0]=3 1969 B13R1.1689 CC(C=O)N1CCCCCCCC1 Amb30036785 [0,1,0,1,0,0|1,0,0]=3 1970 B13R1.1689 NCC(O)C1CCCCCCCC1 Amb27598067 [0,1,0,1,0,0|1,0,1]=4 1971 B13R1.1870 C\C(C=O)=C/C1CCCCCCC1 Amb27586948 [0,1,0,1,0,0|0,0,2]=4 1972 B13R1.1917 CC1CCCCN(CCCO)C1=O Amb28064183 [0,1,0,1,0,0|2,0,0]=4 1973 B13R1.1917 CCCCN1CCCNC(C)C1=O Amb27810429 [0,1,0,1,0,0|2,0,0]=4 1974 B13R1.1917 CCCCN1CCNCC(C)C1=O Amb26038770 [0,1,0,1,0,0|2,0,0]=4 1975 B13R1.3115 NC1(CO)CCCCCCCCC1 Amb27394230 [0,1,0,1,0,0|0,0,2]=4 1976 B13R1.3115 NCC1(O)CCCCCCCCC1 Amb25743744 [0,1,0,1,0,0|1,0,1]=4 1977 B13R1.3819 CC1C(=O)OCCCCCCC1O Amb27661174 [0,1,0,1,0,0|1,0,0]=3 1978 B13R2.1 O=CC[C@@H]1CC[C@H]2CCCC=C12 Amb28349299 [0,0,0,2,0,0|0,0,2]=4 1979 B13R2.1 O=CC[C@H]1CC[C@H]2CCCC=C12 Amb27194362 [0,0,0,2,0,0|0,0,2]=4 1980 B13R2.1 OCCC1CCC2CCCCC12 Amb27462630 [0,0,0,2,0,0|0,0,2]=4 1981 B13R2.3 C1CCC(C2CCCCC2)CC1 Amb6357182 [0,0,0,2,0,0|1,0,1]=4 1982 B13R2.3 C1CCC(C2CCCCN2)CC1 Amb10068916 [0,0,0,2,0,0|1,0,1]=4 1983 B13R2.3 C1CCC(C2CCCCN2)CC1 Amb2234934 [0,0,0,2,0,0|1,0,1]=4 1984 B13R2.3 C1CCC(C2CCCCN2)CC1 Amb2237212 [0,0,0,2,0,0|1,0,1]=4 1985 B13R2.3 C1CCC(C2CCCNC2)CC1 Amb10068919 [0,0,0,2,0,0|2,0,0]=4 1986 B13R2.3 C1CCC(C2CCCNC2)CC1 Amb33548025 [0,0,0,2,0,0|2,0,0]=4 1987 B13R2.3 C1CCC([C@@H]2CCCCN2)CC1 Amb28048424 [0,0,0,2,0,0|1,0,1]=4 1988 B13R2.6 BrCC1CCCC12CCCCC2 Amb25773006 [0,0,0,2,0,0|1,0,1]=4 1989 B13R2.6 ClCC1CCCC12CCCCC2 Amb27666093 [0,0,0,2,0,0|1,0,1]=4 1990 B13R2.6 NCC1CCCC12CCCCC2 Amb27259905 [0,0,0,2,0,0|1,0,1]=4 1991 B13R2.6 O=CC1CCCC12CCCCC2 Amb27984133 [0,0,0,2,0,0|0,0,0]=2 1992 B13R2.6 O=CC1CCCC12CCOCC2 Amb28045091 [0,0,0,2,0,0|1,0,0]=3 1993 B13R2.6 O=CC1CCOC12CCCCC2 Amb18647056 [0,0,0,2,0,0|1,0,0]=3 1994 B13R2.6 OCC1CCCC12CCCCC2 Amb24415504 [0,0,0,2,0,0|0,0,2]=4 1995 B13R2.6 ONC1CCCC12CCCCC2 Amb27944488 [0,0,0,2,0,0|1,0,1]=4 1996 B13R2.14 CC1CCCCC12CCCNC2 Amb27231161 [0,0,0,2,0,0|2,0,0]=4 1997 B13R2.14 NC1CCCCC12CCCCC2 Amb27878799 [0,0,0,2,0,0|1,0,1]=4 1998 B13R2.14 NC1CCCCC12CCCCC2 Amb35788219 [0,0,0,2,0,0|1,0,1]=4 1999 B13R2.14 O=C1CC=CCC12CCCCC2 Amb33620446 [0,0,0,2,0,0|0,0,2]=4 2000 B13R2.14 O=C1CCCCC12C=CCCC2 Amb28381159 [0,0,0,2,0,0|0,0,2]=4 2001 B13R2.14 O=C1CCCCC12CC=CCC2 Amb27190965 [0,0,0,2,0,0|0,0,2]=4 2002 B13R2.14 O=C1CCCCC12CCCCC2 Amb28250100 [0,0,0,2,0,0|0,0,0]=2 2003 B13R2.14 O=C1CCCCC12CCCCO2 Amb32655154 [0,0,0,2,0,0|1,0,0]=3 2004 B13R2.14 O=C1CCCCC12COCOC2 Amb28381101 [0,0,0,2,0,0|2,0,0]=4 2005 B13R2.14 O=C1CCCCC12SCCCS2 Amb17595392 [0,0,0,2,0,0|2,0,0]=4 2006 B13R2.14 O=C1CCCOC12CCNCC2 Amb25804216 [0,0,0,2,0,0|2,0,0]=4 2007 B13R2.14 O=C1CCCOC12CCOCC2 Amb33620859 [0,0,0,2,0,0|2,0,0]=4 2008 B13R2.14 O=C1CCNCC12CCCCC2 Amb18826925 [0,0,0,2,0,0|1,0,0]=3 2009 B13R2.14 O=C1CCNCC12CCCOC2 Amb18826014 [0,0,0,2,0,0|2,0,0]=4 2010 B13R2.14 O=C1CCNCC12CCCSC2 Amb18822346 [0,0,0,2,0,0|2,0,0]=4 2011 B13R2.14 O=C1CCNCC12CCOCC2 Amb18826013 [0,0,0,2,0,0|2,0,0]=4 2012 B13R2.14 O=C1CCNCC12CCOCC2 Amb33482694 [0,0,0,2,0,0|2,0,0]=4 2013 B13R2.14 O=C1CCNCC12CCSCC2 Amb18822345 [0,0,0,2,0,0|2,0,0]=4 2014 B13R2.14 O=C1CCOCC12CCCCC2 Amb18826492 [0,0,0,2,0,0|1,0,0]=3 2015 B13R2.14 O=C1NCCCC12CCCCC2 Amb15701529 [0,0,0,2,0,0|1,0,0]=3 2016 B13R2.14 O=C1NCCCC12CCCCN2 Amb27619777 [0,0,0,2,0,0|2,0,0]=4 2017 B13R2.14 O=C1NCCCC12CCCNC2 Amb13888869 [0,0,0,2,0,0|2,0,0]=4 2018 B13R2.14 O=C1NCCCC12CCCOC2 Amb26954411 [0,0,0,2,0,0|2,0,0]=4 2019 B13R2.14 O=C1NCCCC12CCNCC2 Amb13885550 [0,0,0,2,0,0|2,0,0]=4 2020 B13R2.14 O=C1NCCCC12CCNCC2 Amb5494200 [0,0,0,2,0,0|2,0,0]=4 2021 B13R2.14 O=C1NCCCC12CCOCC2 Amb10608411 [0,0,0,2,0,0|2,0,0]=4 2022 B13R2.14 O=C1NCCNC12CCCCC2 Amb32410132 [0,0,0,2,0,0|2,0,0]=4 2023 B13R2.14 O=C1NCCNC12CCCCC2 Amb6477731 [0,0,0,2,0,0|2,0,0]=4 2024 B13R2.14 O=C1OCCNC12CCCCC2 Amb5781673 [0,0,0,2,0,0|2,0,0]=4 2025 B13R2.15 N=C1CCCN1C2CCCCC2 Amb2502915 [0,0,0,2,0,0|2,0,0]=4 2026 B13R2.15 N=C1CCCN1C2CCCCC2 Amb5540211 [0,0,0,2,0,0|2,0,0]=4 2027 B13R2.15 NN1CCCC1C2CCCCC2 Amb25303091 [0,0,0,2,0,0|2,0,0]=4 2028 B13R2.15 O=C1CCCC1=C2CCCCC2 Amb27628853 [0,0,0,2,0,0|0,0,2]=4 2029 B13R2.15 O=C1CCCC1C2CCCCN2 Amb24602251 [0,0,0,2,0,0|1,0,0]=3 2030 B13R2.15 O=C1CCCC1C2CCCOC2 Amb27760879 [0,0,0,2,0,0|1,0,0]=3 2031 B13R2.15 O=C1CCCC1C2CCOCC2 Amb27257230 [0,0,0,2,0,0|1,0,0]=3 2032 B13R2.15 O=C1CCCC1C2COCCN2 Amb28288308 [0,0,0,2,0,0|2,0,0]=4 2033 B13R2.15 O=C1CCCC1C2COCCN2 Amb28963356 [0,0,0,2,0,0|2,0,0]=4 2034 B13R2.15 O=C1CCCC1N2CCOCC2 Amb9660703 [0,0,0,2,0,0|2,0,0]=4 2035 B13R2.15 O=C1CCCC1N2CCSCC2 Amb19075398 [0,0,0,2,0,0|2,0,0]=4 2036 B13R2.15 O=C1CCCN1C2CCCCC2 Amb6356478 [0,0,0,2,0,0|1,0,0]=3 2037 B13R2.15 O=C1CCCN1C2CCCNC2 Amb9718140 [0,0,0,2,0,0|2,0,0]=4 2038 B13R2.15 O=C1CCCN1C2CCNCC2 Amb10576566 [0,0,0,2,0,0|2,0,0]=4 2039 B13R2.15 O=C1CCCN1C2CCNCC2 Amb10880882 [0,0,0,2,0,0|2,0,0]=4 2040 B13R2.15 O=C1CCCN1C2CCOCC2 Amb28141711 [0,0,0,2,0,0|2,0,0]=4 2041 B13R2.15 O=C1CCCN1[C@@H]2CCCNC2 Amb28250154 [0,0,0,2,0,0|2,0,0]=4 2042 B13R2.15 O=C1CCCN1[C@H]2CCCNC2 Amb27244707 [0,0,0,2,0,0|2,0,0]=4 2043 B13R2.15 O=C1CCCN1[C@H]2CCCNC2 Amb34914014 [0,0,0,2,0,0|2,0,0]=4 2044 B13R2.15 O=C1CCNC1C2CCCCC2 Amb27240085 [0,0,0,2,0,0|1,0,0]=3 2045 B13R2.15 O=C1CNCN1C2CCCCC2 Amb27946333 [0,0,0,2,0,0|2,0,0]=4 2046 B13R2.15 O=C1COCC1C2CCCCC2 Amb35736959 [0,0,0,2,0,0|1,0,0]=3 2047 B13R2.15 O=C1COCC1C2CCOCC2 Amb35736960 [0,0,0,2,0,0|2,0,0]=4 2048 B13R2.15 O=C1CSCC1C2CCOCC2 Amb27831640 [0,0,0,2,0,0|2,0,0]=4 2049 B13R2.15 O=C1NCCC1C2CCCCC2 Amb22263866 [0,0,0,2,0,0|1,0,0]=3 2050 B13R2.15 O=C1NCCC1C2CCOCC2 Amb26540188 [0,0,0,2,0,0|2,0,0]=4 2051 B13R2.15 O=C1NCCN1C2CCCCC2 Amb24465570 [0,0,0,2,0,0|2,0,0]=4 2052 B13R2.15 OC1CCCC1C2CCCCC2 Amb18799275 [0,0,0,2,0,0|0,0,2]=4 2053 B13R2.15 O[C@@H]1CCC[C@H]1C2CCCCC2 Amb25261897 [0,0,0,2,0,0|0,0,2]=4 2054 B13R2.17 NC1CC1CCC2CCCCC2 Amb27472355 [0,0,0,2,0,0|1,0,1]=4 2055 B13R2.20 CNCC1CCC12CCCCC2 Amb30025764 [0,0,0,2,0,0|2,0,0]=4 2056 B13R2.20 NCCC1CCC12CCCCC2 Amb35619516 [0,0,0,2,0,0|1,0,1]=4 2057 B13R2.20 O=C=NC1CCC12CCCCC2 Amb30025782 [0,0,0,2,0,0|1,0,1]=4 2058 B13R2.20 O=CNC1CCC12CCCCC2 Amb30026108 [0,0,0,2,0,0|1,0,0]=3 2059 B13R2.27 NC1CCC1CC2CCCCC2 Amb28120862 [0,0,0,2,0,0|1,0,1]=4 2060 B13R2.27 O=C1CCC1CN2CCCCC2 Amb27882649 [0,0,0,2,0,0|1,0,0]=3 2061 B13R2.27 O=C1CCC1CN2CCOCC2 Amb26329965 [0,0,0,2,0,0|2,0,0]=4 2062 B13R2.27 O=C1CCC1OC2CCCCO2 Amb27782000 [0,0,0,2,0,0|2,0,0]=4 2063 B13R2.27 O=C1CCN1CC2CCCNC2 Amb27230322 [0,0,0,2,0,0|2,0,0]=4 2064 B13R2.27 OC1CCC1CC2CCCCC2 Amb33213695 [0,0,0,2,0,0|0,0,2]=4 2065 B13R2.40 O=CCCC1CC12CCCCC2 Amb27211173 [0,0,0,2,0,0|0,0,0]=2 2066 B13R2.40 OCCCC1CC12CCCCC2 Amb27646833 [0,0,0,2,0,0|0,0,2]=4 2067 B13R2.50 CNC1CC1CC2CCCCC2 Amb27962660 [0,0,0,2,0,0|2,0,0]=4 2068 B13R2.50 NCC1CC1CC2CCCCC2 Amb26920385 [0,0,0,2,0,0|1,0,1]=4 2069 B13R2.50 NC[C@@H]1C[C@H]1CC2CCCCC2 Amb33422404 [0,0,0,2,0,0|1,0,1]=4 2070 B13R2.50 O=CC1OC1CC2CCCCC2 Amb27409605 [0,0,0,2,0,0|1,0,0]=3 2071 B13R2.56 CCC1CCN1C2C=CCCC2 Amb27588176 [0,0,0,2,0,0|2,0,0]=4 2072 B13R2.56 O=CC1CCN1C2CCCCC2 Amb27193042 [0,0,0,2,0,0|1,0,0]=3 2073 B13R2.64 C1=CCC(CC2CCCCC2)C1 Amb29888253 [0,0,0,2,0,0|1,0,1]=4 2074 B13R2.64 C1CCC(CC2CCCC2)NC1 Amb18959764 [0,0,0,2,0,0|1,0,1]=4 2075 B13R2.64 C1CCC(CC2CCCC2)NC1 Amb35745594 [0,0,0,2,0,0|1,0,1]=4 2076 B13R2.64 C1CCC(CC2CCCN2)CC1 Amb3788199 [0,0,0,2,0,0|1,0,1]=4 2077 B13R2.64 C1CCC(CC2CCCNC2)C1 Amb18285006 [0,0,0,2,0,0|2,0,0]=4 2078 B13R2.64 C1CCC(CC2CCNC2)CC1 Amb21959201 [0,0,0,2,0,0|2,0,0]=4 2079 B13R2.67 C1CCCC2=C(CC1)CCCN2 Amb27470868 [0,0,0,2,0,0|1,0,1]=4 2080 B13R2.67 C1CCCC2NCCCC2CC1 Amb6256261 [0,0,0,2,0,0|1,0,1]=4 2081 B13R2.510 BrCCCC1CC2C=CC1CC2 Amb35714761 [0,0,0,2,0,0|2,0,0]=4 2082 B13R2.510 BrCCCC1CC2CCC1CC2 Amb32690497 [0,0,0,2,0,0|1,0,1]=4 2083 B13R2.510 C=CCCC1CC2CCC1CC2 Amb35733801 [0,0,0,2,0,0|1,0,0]=3 2084 B13R2.510 CCNCC1CC2C=CC1CC2 Amb35714393 [0,0,0,2,0,0|2,0,0]=4 2085 B13R2.510 CCNC[C@@H]1C[C@@H]2C=C[C@H]1CC2 Amb29866372 [0,0,0,2,0,0|2,0,0]=4 2086 B13R2.510 CNCCC1CC2C=CC1CC2 Amb30012028 [0,0,0,2,0,0|2,0,0]=4 2087 B13R2.510 CNCCC1CC2CCC1CC2 Amb35726258 [0,0,0,2,0,0|2,0,0]=4 2088 B13R2.510 ClCCCC1CC2C=CC1CC2 Amb35714759 [0,0,0,2,0,0|2,0,0]=4 2089 B13R2.510 ClCCCC1CC2CCC1CC2 Amb32690496 [0,0,0,2,0,0|1,0,1]=4 2090 B13R2.510 N#CCCC1CC2CCC1CC2 Amb35726264 [0,0,0,2,0,0|1,0,1]=4 2091 B13R2.510 NCCCC1CC2C=CC1CC2 Amb30012195 [0,0,0,2,0,0|2,0,0]=4 2092 B13R2.510 NCCCC1CC2CCC1CC2 Amb35721814 [0,0,0,2,0,0|1,0,1]=4 2093 B13R2.510 NNCCC1CC2CCC1CC2 Amb35721711 [0,0,0,2,0,0|2,0,0]=4 2094 B13R2.510 O=C=NCC1CC2CCC1CC2 Amb27783486 [0,0,0,2,0,0|1,0,1]=4 2095 B13R2.510 O=CCCC1CC2C=CC1CC2 Amb29866379 [0,0,0,2,0,0|0,0,2]=4 2096 B13R2.510 O=CCCC1CC2CCC1CC2 Amb35726283 [0,0,0,2,0,0|0,0,0]=2 2097 B13R2.510 O=CNCC1CC2CCC1CC2 Amb27776118 [0,0,0,2,0,0|1,0,0]=3 2098 B13R2.510 O=C\C=C\C1CC2CCC1CC2 Amb35615540 [0,0,0,2,0,0|0,0,2]=4 2099 B13R2.510 OCCCC1CC2C=CC1CC2 Amb32945195 [0,0,0,2,0,0|2,0,0]=4 2100 B13R2.510 OCCCC1CC2CCC1CC2 Amb32945570 [0,0,0,2,0,0|0,0,2]=4 2101 B13R2.1028 C=CCCN1CC2CCCCC21 Amb28188044 [0,0,0,2,0,0|2,0,0]=4 2102 B13R2.1613 CCC1CCCC2NCCCC12 Amb33328511 [0,0,0,2,0,0|1,0,1]=4 2103 B13R2.1613 CNC1CCCC2CCCCC21 Amb27391154 [0,0,0,2,0,0|2,0,0]=4 2104 B13R2.1613 CN[C@H]1CCC[C@H]2CCCC[C@H]12 Amb27789967 [0,0,0,2,0,0|2,0,0]=4 2105 B13R2.1613 O=CC1CCC=C2CCCCC21 Amb27754121 [0,0,0,2,0,0|0,0,2]=4 2106 B13R2.1613 O=CN1CCCC2CCCCC21 Amb27205455 [0,0,0,2,0,0|1,0,0]=3 2107 B13R2.1613 O=CN1CCC[C@@H]2CCCC[C@@H]21 Amb27822711 [0,0,0,2,0,0|1,0,0]=3 2108 B13R2.1613 O=C[C@@H]1CCCN2CCCC[C@H]12 Amb27224864 [0,0,0,2,0,0|1,0,0]=3 2109 B13R2.1613 O=C[C@@H]1CCC[C@H]2CCCC[C@H]12 Amb28255713 [0,0,0,2,0,0|0,0,0]=2 2110 B13R2.1613 O=C[C@H]1CC=C[C@H]2CCCC[C@H]12 Amb28131443 [0,0,0,2,0,0|0,0,2]=4 2111 B13R2.1613 OCC1CCCC2CCCCC12 Amb27805191 [0,0,0,2,0,0|0,0,2]=4 2112 B13R2.2383 C1CCC(CCC2CCC2)NC1 Amb27947836 [0,0,0,2,0,0|1,0,1]=4 2113 B13R2.2383 C1CCC(CCC2CNC2)CC1 Amb24544147 [0,0,0,2,0,0|2,0,0]=4 2114 B13R2.3576 O=C1CCCCC2CCCC1C2 Amb27770112 [0,0,0,2,0,0|0,0,0]=2 2115 B13R2.5252 CC1CCCCC2CCCNC12 Amb28280883 [0,0,0,2,0,0|2,0,0]=4 2116 B13R2.5252 O=C1C=CCCC2CCCCC12 Amb28253747 [0,0,0,2,0,0|0,0,2]=4 2117 B13R2.5252 O=C1CCCC[C@H]2C=CCC[C@H]12 Amb27433095 [0,0,0,2,0,0|0,0,2]=4 2118 B13R2.5252 O=C1CCCC[C@H]2CCCC[C@@H]12 Amb28202238 [0,0,0,2,0,0|0,0,0]=2 2119 B13R2.5252 O=C1NCCCC2CCCCC12 Amb27413893 [0,0,0,2,0,0|1,0,0]=3 2120 B13R2.8001 C1CCC2(CC1)CCCCNC2 Amb26940496 [0,0,0,2,0,0|2,0,0]=4 2121 B13R2.8001 C1CCC2(CC1)CCCCNC2 Amb33038324 [0,0,0,2,0,0|2,0,0]=4 2122 B13R2.8001 C1CCCC2(CC1)CCCCN2 Amb18826824 [0,0,0,2,0,0|1,0,1]=4 2123 B13R2.8001 C1CCCC2(CC1)CCCCN2 Amb31156406 [0,0,0,2,0,0|1,0,1]=4 2124 B13R2.8001 C1CCCC2(CC1)CCCNC2 Amb18826823 [0,0,0,2,0,0|2,0,0]=4 2125 B13R2.8001 C1CCNC2(CC1)CCCCC2 Amb33470532 [0,0,0,2,0,0|1,0,1]=4 2126 B13R2.208 O=C1CCCCCC12CCCC2 Amb25202509 [0,0,0,2,0,0|0,0,0]=2 2127 B13R2.208 O=C1CCCCCC12CCNC2 Amb18826928 [0,0,0,2,0,0|1,0,0]=3 2128 B13R2.208 O=C1CCCCCC12OCCO2 Amb28313064 [0,0,0,2,0,0|2,0,0]=4 2129 B13R2.208 O=C1CCOCCC12CCCO2 Amb28141334 [0,0,0,2,0,0|2,0,0]=4 2130 B13R2.208 O=C1NCCCCC12CCCC2 Amb24398741 [0,0,0,2,0,0|1,0,0]=3 2131 B13R2.208 O=C1NCCCCC12CCCN2 Amb28240428 [0,0,0,2,0,0|2,0,0]=4 2132 B13R2.208 O=C1NCCCCC12CCNC2 Amb32862919 [0,0,0,2,0,0|2,0,0]=4 2133 B13R2.208 O=C1NCCCNC12CCCC2 Amb28368025 [0,0,0,2,0,0|2,0,0]=4 2134 B13R2.228 O=C1CCC2CCC1CCC2=O Amb27212537 [0,0,0,2,0,0|1,0,1]=4 2135 B13R2.344 CC1=C2CCCC(=O)C(CC1)C2 Amb27177444 [0,0,0,2,0,0|0,0,2]=4 2136 B13R2.344 CC1=C2CCCC(=O)[C@@H](CC1)C2 Amb28285943 [0,0,0,2,0,0|0,0,2]=4 2137 B13R2.344 CC1=C2CCCC(=O)[C@H](CC1)C2 Amb27861355 [0,0,0,2,0,0|0,0,2]=4 2138 B13R2.383 C=C1CC[C@@H]2C(=O)CCCC[C@@H]12 Amb28198577 [0,0,0,2,0,0|0,0,2]=4 2139 B13R2.383 C=C1CC[C@@H]2C(=O)CCCC[C@H]12 Amb28052521 [0,0,0,2,0,0|0,0,2]=4 2140 B13R2.383 CN1CC[C@@H]2C(=O)CCCC[C@@H]21 Amb27780834 [0,0,0,2,0,0|1,0,0]=3 2141 B13R2.383 CN1CC[C@@H]2C(=O)CCCC[C@H]21 Amb28144217 [0,0,0,2,0,0|1,0,0]=3 2142 B13R2.383 O=C1CCC2C(=O)CCCCC12 Amb27212524 [0,0,0,2,0,0|1,0,1]=4 2143 B13R2.383 O=C1CCC2C(O)CCCCN12 Amb27207369 [0,0,0,2,0,0|2,0,0]=4 2144 B13R2.383 O=C1CC[C@@H]2C(=O)CCCC[C@H]12 Amb28411333 [0,0,0,2,0,0|1,0,1]=4 2145 B13R2.995 CCCCC1C(O)CC2CCC21 Amb28281858 [0,0,0,2,0,0|0,0,2]=4 2146 B13R2.1035 NCCCN1CC2CCC2C1=O Amb27442022 [0,0,0,2,0,0|2,0,0]=4 2147 B13R2.1318 CC1CCCCCC12CC2CBr Amb35721315 [0,0,0,2,0,0|1,0,1]=4 2148 B13R2.1318 CC1CCCCCC12CC2CCl Amb35721314 [0,0,0,2,0,0|1,0,1]=4 2149 B13R2.1318 CC1CCCCCC12CC2CN Amb35733913 [0,0,0,2,0,0|1,0,1]=4 2150 B13R2.1318 CC1CCCCCC12CC2CO Amb35672762 [0,0,0,2,0,0|0,0,2]=4 2151 B13R2.1421 C=CC1CC2CCCCC1C2=O Amb27175831 [0,0,0,2,0,0|0,0,2]=4 2152 B13R2.1421 C=C[C@H]1C[C@H]2CCCC[C@H]1C2=O Amb28054354 [0,0,0,2,0,0|0,0,2]=4 2153 B13R2.2438 CCCCC12CC1CCCC2O Amb28066040 [0,0,0,2,0,0|0,0,2]=4 2154 B13R2.2442 O=C1CC2CCCC12CCCCl Amb27408509 [0,0,0,2,0,0|1,0,0]=3 2155 B13R2.2451 CCCCC12C=CC1CCC2=O Amb27177637 [0,0,0,2,0,0|0,0,2]=4 2156 B13R2.2451 CCCC[C@]12C=C[C@H]1CCC2=O Amb27972970 [0,0,0,2,0,0|0,0,2]=4 2157 B13R2.2453 CCCCC1C(=O)[C@H]2CC=C[C@@H]12 Amb27199114 [0,0,0,2,0,0|0,0,2]=4 2158 B13R2.2453 CCCC[C@H]1C(=O)[C@H]2CCC[C@H]21 Amb28253723 [0,0,0,2,0,0|0,0,0]=2 2159 B13R2.3045 O=C1CCCCCC1CC2CC2 Amb27970302 [0,0,0,2,0,0|0,0,0]=2 2160 B13R2.3045 O=C1CCCCCN1CC2CO2 Amb6244103 [0,0,0,2,0,0|2,0,0]=4 2161 B13R2.3045 O=C1CCCCCN1C[C@@H]2CO2 Amb27978743 [0,0,0,2,0,0|2,0,0]=4 2162 B13R2.3045 O=C1CCNCCN1CC2CC2 Amb21964981 [0,0,0,2,0,0|2,0,0]=4 2163 B13R2.3045 O=C1NCCCNC1CC2CC2 Amb32719943 [0,0,0,2,0,0|2,0,0]=4 2164 B13R2.3045 O=C1NCCCN[C@H]1CC2CC2 Amb32719940 [0,0,0,2,0,0|2,0,0]=4 2165 B13R2.3045 OC1CCCCCC1CC2CC2 Amb27780752 [0,0,0,2,0,0|0,0,2]=4 2166 B13R2.3045 O[C@@H]1CCCCC[C@H]1CC2CC2 Amb32950760 [0,0,0,2,0,0|0,0,2]=4 2167 B13R2.3505 NC12CCCCCC1CCCC2 Amb28254310 [0,0,0,2,0,0|1,0,1]=4 2168 B13R2.3729 N[C@H]1CC[C@H]2CCCCC[C@@H]2C1 Amb27845539 [0,0,0,2,0,0|1,0,1]=4 2169 B13R2.3729 O=C1CCC2CCCC=CC2C1 Amb27954078 [0,0,0,2,0,0|0,0,2]=4 2170 B13R2.3729 O=C1CCC2CCCNCC2N1 Amb28397430 [0,0,0,2,0,0|2,0,0]=4 2171 B13R2.3729 O=C1CCC2CCNCCC2N1 Amb27593578 [0,0,0,2,0,0|2,0,0]=4 2172 B13R2.3729 O=C1CCC2CNCCCC2N1 Amb27614658 [0,0,0,2,0,0|2,0,0]=4 2173 B13R2.3729 O=C1CC[C@@H]2C=CCCC[C@@H]2C1 Amb27844135 [0,0,0,2,0,0|0,0,2]=4 2174 B13R2.3729 O=C1CC[C@@H]2CCCNC[C@H]2N1 Amb18826475 [0,0,0,2,0,0|2,0,0]=4 2175 B13R2.3729 O=C1CC[C@@H]2CCNCC[C@H]2N1 Amb18826473 [0,0,0,2,0,0|2,0,0]=4 2176 B13R2.3729 O=C1CC[C@@H]2CNCCC[C@H]2N1 Amb18826479 [0,0,0,2,0,0|2,0,0]=4 2177 B13R2.3729 O=C1CC[C@H]2CCCCC[C@@H]2N1 Amb27663610 [0,0,0,2,0,0|1,0,0]=3 2178 B13R2.3729 O=C1NC2CCCCCC2CO1 Amb27832446 [0,0,0,2,0,0|2,0,0]=4 2179 B13R2.3729 OC1CC[C@@H]2CCCCC[C@@H]2C1 Amb27452059 [0,0,0,2,0,0|0,0,2]=4 2180 B13R2.3729 O[C@@H]1CC[C@H]2CCCCCC2C1 Amb27980489 [0,0,0,2,0,0|0,0,2]=4 2181 B13R2.3729 O[C@@H]1CC[C@H]2CCCCC[C@@H]2C1 Amb27643513 [0,0,0,2,0,0|0,0,2]=4 2182 B13R2.3757 O=C1CCC2CCCCCC12O Amb27177968 [0,0,0,2,0,0|1,0,0]=3 2183 B13R2.4718 O=C1N[C@@H]2CCCC[C@H]1CNC2 Amb28346860 [0,0,0,2,0,0|2,0,0]=4 2184 B13R2.4901 O=C1CCNCCN1C2CCC2 Amb27846930 [0,0,0,2,0,0|2,0,0]=4 2185 B13R2.4901 O=C1NCCCNC1C2CCC2 Amb32719947 [0,0,0,2,0,0|2,0,0]=4 2186 B13R2.4901 OC1CCCCCC1C2CCC2 Amb24566011 [0,0,0,2,0,0|0,0,2]=4 2187 B13R2.4901 O[C@@H]1CCCCC[C@H]1C2CCC2 Amb32950241 [0,0,0,2,0,0|0,0,2]=4 2188 B13R2.5 CNC1CCCCC12CCCC2 Amb27399271 [0,0,0,2,0,0|2,0,0]=4 2189 B13R2.5 N#CC1CCCCC12CCCC2 Amb27483808 [0,0,0,2,0,0|1,0,1]=4 2190 B13R2.5 NCC1CCCCC12CCCC2 Amb27869125 [0,0,0,2,0,0|1,0,1]=4 2191 B13R2.5 NNC1CCCCC12CCCC2 Amb28188972 [0,0,0,2,0,0|2,0,0]=4 2192 B13R2.5 O=CC1CCCCC12CCCC2 Amb18646650 [0,0,0,2,0,0|0,0,0]=2 2193 B13R2.5 O=CC1CCCCC12OCCO2 Amb4007382 [0,0,0,2,0,0|2,0,0]=4 2194 B13R2.5 OCC1CCCCC12CCCC2 Amb27406194 [0,0,0,2,0,0|0,0,2]=4 2195 B13R2.18 ClC1CCCCC1C2CCCC2 Amb28071794 [0,0,0,2,0,0|1,0,1]=4 2196 B13R2.18 N[C@H]1CCCC[C@@H]1C2CCCC2 Amb27494821 [0,0,0,2,0,0|1,0,1]=4 2197 B13R2.18 O=C1C=CCCC1C2CCCC2 Amb27177628 [0,0,0,2,0,0|0,0,2]=4 2198 B13R2.18 O=C1CCCC=C1C2CCCC2 Amb27177627 [0,0,0,2,0,0|0,0,2]=4 2199 B13R2.18 O=C1CCCCC1C2CCCC2 Amb18798695 [0,0,0,2,0,0|0,0,0]=2 2200 B13R2.18 O=C1CCCCC1C2CCCN2 Amb20667669 [0,0,0,2,0,0|1,0,0]=3 2201 B13R2.18 O=C1CCCCC1C2CCCN2 Amb22157204 [0,0,0,2,0,0|1,0,0]=3 2202 B13R2.18 O=C1CCCCC1C2CCCO2 Amb25370820 [0,0,0,2,0,0|1,0,0]=3 2203 B13R2.18 O=C1CCCCC1C2CCOC2 Amb24406247 [0,0,0,2,0,0|1,0,0]=3 2204 B13R2.18 O=C1CCCCC1C2CCSC2 Amb35697112 [0,0,0,2,0,0|1,0,0]=3 2205 B13R2.18 O=C1CCCCN1C2CCNC2 Amb27863021 [0,0,0,2,0,0|2,0,0]=4 2206 B13R2.18 O=C1CCNCC1C2CCCC2 Amb18826922 [0,0,0,2,0,0|1,0,0]=3 2207 B13R2.18 O=C1CCNCC1C2CCOC2 Amb18825998 [0,0,0,2,0,0|2,0,0]=4 2208 B13R2.18 O=C1CCNCC1C2CCSC2 Amb18822342 [0,0,0,2,0,0|2,0,0]=4 2209 B13R2.18 O=C1CCOCC1C2CCCN2 Amb28207163 [0,0,0,2,0,0|2,0,0]=4 2210 B13R2.18 O=C1CCOCC1C2CCSC2 Amb35697113 [0,0,0,2,0,0|2,0,0]=4 2211 B13R2.18 O=C1CNCCC1C2CCCC2 Amb28062417 [0,0,0,2,0,0|1,0,0]=3 2212 B13R2.18 O=C1CNCCN1C2CCCC2 Amb10808744 [0,0,0,2,0,0|2,0,0]=4 2213 B13R2.18 O=C1CNCCN1C2CCCC2 Amb7089000 [0,0,0,2,0,0|2,0,0]=4 2214 B13R2.18 O=C1NCCCC1C2CCNC2 Amb33495929 [0,0,0,2,0,0|2,0,0]=4 2215 B13R2.18 O=C1NCCCC1C2CCSC2 Amb35715720 [0,0,0,2,0,0|2,0,0]=4 2216 B13R2.18 O=C1NCCC[C@@H]1C2CCCC2 Amb27178063 [0,0,0,2,0,0|1,0,0]=3 2217 B13R2.18 O=C1NCCC[C@H]1C2CCCC2 Amb27237664 [0,0,0,2,0,0|1,0,0]=3 2218 B13R2.18 OC1CCCCC1C2CCCC2 Amb18799274 [0,0,0,2,0,0|0,0,2]=4 2219 B13R2.18 O[C@@H]1CCCC[C@H]1C2CCCC2 Amb32950166 [0,0,0,2,0,0|0,0,2]=4 2220 B13R2.29 BrC1CCCC1CC2CCCC2 Amb27389126 [0,0,0,2,0,0|1,0,1]=4 2221 B13R2.29 CC1CCCC1NC2C=CCC2 Amb30006715 [0,0,0,2,0,0|2,0,0]=4 2222 B13R2.29 O=C1CCCC1CC2=CCCC2 Amb28288605 [0,0,0,2,0,0|0,0,2]=4 2223 B13R2.29 O=C1CCCC1CC2CC=CC2 Amb35630292 [0,0,0,2,0,0|0,0,2]=4 2224 B13R2.29 O=C1CCCC1CC2CCOC2 Amb27614777 [0,0,0,2,0,0|1,0,0]=3 2225 B13R2.29 O=C1CCCN1CC2CCNC2 Amb18960300 [0,0,0,2,0,0|2,0,0]=4 2226 B13R2.29 O=C1CCCN1CC2CCNC2 Amb32653599 [0,0,0,2,0,0|2,0,0]=4 2227 B13R2.29 O=C1CCC\C1=C/C2CCCC2 Amb27256581 [0,0,0,2,0,0|0,0,2]=4 2228 B13R2.29 O=C1CCNC1CC2CCCC2 Amb27847236 [0,0,0,2,0,0|1,0,0]=3 2229 B13R2.29 O=C1COCC1CC2CCCC2 Amb35736957 [0,0,0,2,0,0|1,0,0]=3 2230 B13R2.29 O=C1CSCC1CC2CCCO2 Amb27251783 [0,0,0,2,0,0|2,0,0]=4 2231 B13R2.29 O=C1NCCC1CC2CCCO2 Amb27601374 [0,0,0,2,0,0|2,0,0]=4 2232 B13R2.29 O=C1OCC[C@H]1C[C@@H]2CCCN2 Amb27629632 [0,0,0,2,0,0|2,0,0]=4 2233 B13R2.29 OC1CCCC1CC2CCCC2 Amb18805996 [0,0,0,2,0,0|0,0,2]=4 2234 B13R2.29 O[C@@H]1CCC[C@H]1CC2CCCC2 Amb32945986 [0,0,0,2,0,0|0,0,2]=4 2235 B13R2.37 NCCC1CCCC12CCCC2 Amb27453305 [0,0,0,2,0,0|1,0,1]=4 2236 B13R2.47 NCC1CC1CCC2CCCC2 Amb33380249 [0,0,0,2,0,0|1,0,1]=4 2237 B13R2.47 NC[C@@H]1C[C@H]1CCC2CCCC2 Amb33380250 [0,0,0,2,0,0|1,0,1]=4 2238 B13R2.61 O=CN1CCCC1C2CCCC2 Amb27476879 [0,0,0,2,0,0|1,0,0]=3 2239 B13R2.158 O=C1CCC1CCN2CCCC2 Amb32697967 [0,0,0,2,0,0|1,0,0]=3 2240 B13R2.158 OC1CCC1CCC2CCCC2 Amb32944270 [0,0,0,2,0,0|0,0,2]=4 2241 B13R2.183 C1=CC(CCC2CCCC2)NC1 Amb28078137 [0,0,0,2,0,0|2,0,0]=4 2242 B13R2.183 C1=CC(NCC2CCCC2)CC1 Amb30006721 [0,0,0,2,0,0|2,0,0]=4 2243 B13R2.183 C1=CCC(CCC2CCCC2)C1 Amb29888254 [0,0,0,2,0,0|1,0,1]=4 2244 B13R2.183 C1CCC(CCC2CCCN2)C1 Amb33549578 [0,0,0,2,0,0|1,0,1]=4 2245 B13R2.183 C1CCC(CCC2CCCN2)C1 Amb3788198 [0,0,0,2,0,0|1,0,1]=4 2246 B13R2.183 C1CCC(CCC2CCNC2)C1 Amb26508794 [0,0,0,2,0,0|2,0,0]=4 2247 B13R2.292 C=CCN1CCCC2CCCC21 Amb28127908 [0,0,0,2,0,0|2,0,0]=4 2248 B13R2.292 NCCC1CCCC2CCCC12 Amb27209289 [0,0,0,2,0,0|1,0,1]=4 2249 B13R2.292 O=CCN1CCCC2COCC21 Amb35592735 [0,0,0,2,0,0|2,0,0]=4 2250 B13R2.468 C=CCCN1CCC2CCCC21 Amb27853675 [0,0,0,2,0,0|2,0,0]=4 2251 B13R2.677 C1CCCC(C2CCCN2)CC1 Amb18799000 [0,0,0,2,0,0|1,0,1]=4 2252 B13R2.677 C1CCCC(C2CCNC2)CC1 Amb24610366 [0,0,0,2,0,0|2,0,0]=4 2253 B13R2.677 C1CCNC(C2CCCC2)CC1 Amb17659217 [0,0,0,2,0,0|1,0,1]=4 2254 B13R2.677 C1CCNC(C2CCCC2)CC1 Amb2237248 [0,0,0,2,0,0|1,0,1]=4 2255 B13R2.2381 C1CCC(CCCC2CNC2)C1 Amb33374572 [0,0,0,2,0,0|2,0,0]=4 2256 B13R2.2520 CCCNCC1CC2C=CC1C2 Amb9223295 [0,0,0,2,0,0|2,0,0]=4 2257 B13R2.2520 NCCCCC1CC2C=CC1C2 Amb33378069 [0,0,0,2,0,0|2,0,0]=4 2258 B13R2.2520 NCCCCC1CC2CCC1C2 Amb2371667 [0,0,0,2,0,0|1,0,1]=4 2259 B13R2.2520 O=C=NCCC1CC2CCC1C2 Amb26012240 [0,0,0,2,0,0|1,0,1]=4 2260 B13R2.2520 O=CCCCC1CC2C=CC1C2 Amb33378066 [0,0,0,2,0,0|0,0,2]=4 2261 B13R2.2520 O=CCCCC1CC2CCC1C2 Amb33358634 [0,0,0,2,0,0|0,0,0]=2 2262 B13R2.2520 O=CCCCC1CC2CCC1O2 Amb32874097 [0,0,0,2,0,0|1,0,0]=3 2263 B13R2.3047 O=C1CCC=CC[C@@H]2CCC[C@H]12 Amb27972939 [0,0,0,2,0,0|0,0,2]=4 2264 B13R2.3047 O=C1NCCCNC2CCCC12 Amb27841423 [0,0,0,2,0,0|2,0,0]=4 2265 B13R2.8000 C1CCCC2(CCC1)CCNC2 Amb18278143 [0,0,0,2,0,0|2,0,0]=4 2266 B13R2.9 CCC1CCC2=C1CCCC2=O Amb28122367 [0,0,0,2,0,0|0,0,2]=4 2267 B13R2.70 C=CCC1CC2CCCC2C1=O Amb28321836 [0,0,0,2,0,0|0,0,2]=4 2268 B13R2.70 C=CC[C@@H]1C[C@@H]2CCC[C@@H]2C1=O Amb27489119 [0,0,0,2,0,0|0,0,2]=4 2269 B13R2.70 NCC[C@@H]1C[C@@H]2CCCN2C1=O Amb27252228 [0,0,0,2,0,0|2,0,0]=4 2270 B13R2.84 CCC1NCC2CCCN2C1=O Amb24753809 [0,0,0,2,0,0|2,0,0]=4 2271 B13R2.84 CCN1CCN2CCCC2C1=O Amb24084100 [0,0,0,2,0,0|2,0,0]=4 2272 B13R2.84 CC[C@@H]1NC[C@@H]2CCCN2C1=O Amb27467424 [0,0,0,2,0,0|2,0,0]=4 2273 B13R2.84 CC[C@H]1NC[C@@H]2CCCN2C1=O Amb27215997 [0,0,0,2,0,0|2,0,0]=4 2274 B13R2.104 CCN1CCCC12CCOC2=O Amb27605086 [0,0,0,2,0,0|2,0,0]=4 2275 B13R2.104 CO[C@@H]1CCC[C@@]12CCCC2=O Amb27854955 [0,0,0,2,0,0|1,0,0]=3 2276 B13R2.104 CO[C@H]1CCC[C@@]12CCCC2=O Amb27427951 [0,0,0,2,0,0|1,0,0]=3 2277 B13R2.104 C\C=C1/CCCC12CCCC2=O Amb27175933 [0,0,0,2,0,0|0,0,2]=4 2278 B13R2.209 CC1CCNC2CCCC2S1=O Amb27837096 [0,0,0,2,0,0|2,0,0]=4 2279 B13R2.209 CC1CNCC2CCCN2C1=O Amb26456942 [0,0,0,2,0,0|2,0,0]=4 2280 B13R2.209 CC1NCC[C@H]2CCCN2C1=O Amb28239775 [0,0,0,2,0,0|2,0,0]=4 2281 B13R2.209 CN1C(=O)CCC[C@@H]2CNC[C@H]21 Amb18826483 [0,0,0,2,0,0|2,0,0]=4 2282 B13R2.210 O=C1CCC=C2CCCC2CC1 Amb27816308 [0,0,0,2,0,0|0,0,2]=4 2283 B13R2.210 O=C1CCC=C2CCC[C@H]2CC1 Amb25707888 [0,0,0,2,0,0|0,0,2]=4 2284 B13R2.210 O=C1CCCC2=CCCC2CC1 Amb28200076 [0,0,0,2,0,0|0,0,2]=4 2285 B13R2.210 O=C1CCC[C@@H]2CCC[C@@H]2CC1 Amb27854965 [0,0,0,2,0,0|0,0,0]=2 2286 B13R2.210 OC1CCCC2CCCC2CC1 Amb27826540 [0,0,0,2,0,0|0,0,2]=4 2287 B13R2.301 CCC1CCCC12CC2CNC Amb27232582 [0,0,0,2,0,0|2,0,0]=4 2288 B13R2.449 CCCC1CCC2CCCC2N1 Amb28366620 [0,0,0,2,0,0|1,0,1]=4 2289 B13R2.449 NCCC1CCC2CCCC2C1 Amb27462410 [0,0,0,2,0,0|1,0,1]=4 2290 B13R2.449 O=CCN1CCC2COCC2C1 Amb30029308 [0,0,0,2,0,0|2,0,0]=4 2291 B13R2.449 O=CNC1CCN2CCCC2C1 Amb28318543 [0,0,0,2,0,0|2,0,0]=4 2292 B13R2.1650 O=CC1CCCC1\C=C\C2CC2 Amb27256471 [0,0,0,2,0,0|0,0,2]=4 2293 B13R2.2093 C=C[C@@H]1CC[C@H]2CCCCN[C@H]12 Amb28436651 [0,0,0,2,0,0|2,0,0]=4 2294 B13R2.2351 N#CC12CCCC1CCCC2=O Amb27177584 [0,0,0,2,0,0|1,0,1]=4 2295 B13R2.2351 N#C[C@]12CCC[C@H]1CCCC2=O Amb28052309 [0,0,0,2,0,0|1,0,1]=4 2296 B13R2.7267 OCC12CCCCCC1CCC2 Amb27631738 [0,0,0,2,0,0|0,0,2]=4 2297 B13R2.283 CCCC1C(=O)CC2CCCC21 Amb27974029 [0,0,0,2,0,0|0,0,0]=2 2298 B13R2.283 CCC[C@@H]1C(=O)O[C@@H]2CCN[C@@H]12 Amb27966110 [0,0,0,2,0,0|2,0,0]=4 2299 B13R2.283 CC\C=C1/C(=O)CC2CCCC12 Amb28199880 [0,0,0,2,0,0|0,0,2]=4 2300 B13R2.283 O=CC[C@@H]1C(=O)C[C@H]2CCC[C@@H]12 Amb27789609 [0,0,0,2,0,0|1,0,1]=4 2301 B13R2.372 O=C1CCCCCCC1C2CO2 Amb28141294 [0,0,0,2,0,0|1,0,0]=3 2302 B13R2.2950 COC[C@]12CCC[C@H]1CCC2=O Amb27844165 [0,0,0,2,0,0|1,0,0]=3 2303 B13R2.2956 C=CC[C@@H]1C(=O)[C@H]2CCCC[C@@H]12 Amb28253717 [0,0,0,2,0,0|0,0,2]=4 2304 B13R2.2956 CCCC1C(=O)C2CCCCC12 Amb27810139 [0,0,0,2,0,0|0,0,0]=2 2305 B13R2.3219 OC12CCCCCCC1CCC2 Amb28366382 [0,0,0,2,0,0|0,0,2]=4 2306 B13R2.3312 CC12CCCCCCC1CC2=O Amb27164656 [0,0,0,2,0,0|0,0,0]=2 2307 B13R2.3312 O=C1C[C@@H]2CCCCCC[C@]12O Amb28285932 [0,0,0,2,0,0|1,0,0]=3 2308 B13R2.3680 O=C1CCC2C=CCC1CCC2 Amb27749802 [0,0,0,2,0,0|0,0,2]=4 2309 B13R2.3907 O=C1C2CCCCCC1CCC2 Amb26539633 [0,0,0,2,0,0|0,0,0]=2 2310 B13R2.3907 O=C1[C@@H]2C=CC[C@H]1CCCCC2 Amb27434184 [0,0,0,2,0,0|0,0,2]=4 2311 B13R2.4129 C=CCC1CCCC2CC2C1=O Amb28246562 [0,0,0,2,0,0|0,0,2]=4 2312 B13R2.4688 O=C1C=C2CCCCCCC2C1 Amb27175871 [0,0,0,2,0,0|0,0,2]=4 2313 B13R2.4688 O=C1CC2CCCCCCC2C1 Amb28351616 [0,0,0,2,0,0|0,0,0]=2 2314 B13R2.4688 O=C1CC2CCCCCCC2N1 Amb28340979 [0,0,0,2,0,0|1,0,0]=3 2315 B13R2.4688 O=C1C[C@@H]2CCC=CCC[C@@H]2C1 Amb28253862 [0,0,0,2,0,0|0,0,2]=4 2316 B13R2.4688 O=C1N[C@H]2CCCCCC[C@H]2O1 Amb27201637 [0,0,0,2,0,0|2,0,0]=4 2317 B13R2.4688 OC1C[C@H]2CCCCCC[C@@H]2C1 Amb27797231 [0,0,0,2,0,0|0,0,2]=4 2318 B13R2.45 CCC1CC2CNCCN2C1=O Amb32937796 [0,0,0,2,0,0|2,0,0]=4 2319 B13R2.45 C\C=C1\C[C@@H]2CCCC[C@@H]2C1=O Amb28194564 [0,0,0,2,0,0|0,0,2]=4 2320 B13R2.45 C\C=C1\C[C@H]2CCCC[C@H]2C1=O Amb27432612 [0,0,0,2,0,0|0,0,2]=4 2321 B13R2.121 CCC1C(=O)NCC2CCCN21 Amb26422061 [0,0,0,2,0,0|2,0,0]=4 2322 B13R2.135 CCC1C(=O)C=C2CCCCC21 Amb27614510 [0,0,0,2,0,0|0,0,2]=4 2323 B13R2.135 CCC1C(=O)CC2=C1CCCC2 Amb27389313 [0,0,0,2,0,0|0,0,2]=4 2324 B13R2.135 CCC1C(=O)CC2CCCCN21 Amb27176135 [0,0,0,2,0,0|1,0,0]=3 2325 B13R2.135 CCC1C(=O)C[C@H]2CC=CC[C@@H]12 Amb28053954 [0,0,0,2,0,0|0,0,2]=4 2326 B13R2.135 COC1C(=O)CC2CCCCC21 Amb27176208 [0,0,0,2,0,0|1,0,0]=3 2327 B13R2.135 C[C@H]1ON2CCCC[C@@H]2[C@@H]1C=O Amb27790004 [0,0,0,2,0,0|2,0,0]=4 2328 B13R2.135 C\C=C1/C(=O)CC2CCCCC12 Amb27176009 [0,0,0,2,0,0|0,0,2]=4 2329 B13R2.135 N#CC1C(=O)C[C@H]2CCCC[C@@H]12 Amb24610144 [0,0,0,2,0,0|1,0,1]=4 2330 B13R2.599 CCN1CC2CCCN2CC1=O Amb27210906 [0,0,0,2,0,0|2,0,0]=4 2331 B13R2.2352 CC1CCC2=CCCCC21C=O Amb27389488 [0,0,0,2,0,0|0,0,2]=4 2332 B13R2.2352 CC1CCC2CCCCC12CO Amb27978062 [0,0,0,2,0,0|0,0,2]=4 2333 B13R2.2352 CC1CC[C@@H]2CCCC[C@]12CO Amb27206144 [0,0,0,2,0,0|0,0,2]=4 2334 B13R2.2352 C[C@@H]1CCC2=CCCC[C@]21C=O Amb27966690 [0,0,0,2,0,0|0,0,2]=4 2335 B13R2.2352 C[C@H]1CCC2CCCC[C@@]21C=O Amb28287696 [0,0,0,2,0,0|0,0,0]=2 2336 B13R2.2352 C[C@H]1CC[C@@H]2CC=CC[C@]12C=O Amb27194377 [0,0,0,2,0,0|0,0,2]=4 2337 B13R2.2352 N#CC12CCCCC1CCC2=O Amb27262906 [0,0,0,2,0,0|1,0,1]=4 2338 B13R2.2352 O=C[C@]12CCCC[C@H]1CCC2=O Amb27622185 [0,0,0,2,0,0|1,0,1]=4 2339 B13R2.2721 CCC1C(=O)C2CCCCCC12 Amb27447994 [0,0,0,2,0,0|0,0,0]=2 2340 B13R2.2721 O=C1C2CCCCCC2N1CO Amb27456485 [0,0,0,2,0,0|2,0,0]=4 2341 B13R2.4668 O=C1CC2CCCCCC1CC2 Amb27177666 [0,0,0,2,0,0|0,0,0]=2 2342 B13R2.4668 O=C1C[C@H]2CCCCC[C@@H]1CC2 Amb27629639 [0,0,0,2,0,0|0,0,0]=2 2343 B13R2.4787 O=C1C[C@H]2CCCCCCC[C@H]12 Amb27433087 [0,0,0,2,0,0|0,0,0]=2 2344 B13R2.4787 O=C1NC2CCCCCCCC12 Amb27646369 [0,0,0,2,0,0|1,0,0]=3 2345 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@@H]12 Amb27983514 [0,0,0,2,0,0|1,0,0]=3 2346 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@H]12 Amb27841212 [0,0,0,2,0,0|1,0,0]=3 2347 B13R2.32 CC1=C2CCCCC2CCC1=O Amb15693446 [0,0,0,2,0,0|0,0,2]=4 2348 B13R2.32 CC1C(=O)C=CC2CCCCC21 Amb27177600 [0,0,0,2,0,0|0,0,2]=4 2349 B13R2.32 CC1C(=O)CCC2=C1CCCC2 Amb27227191 [0,0,0,2,0,0|0,0,2]=4 2350 B13R2.32 CC1C(=O)CC[C@@H]2CCCC[C@H]12 Amb27437401 [0,0,0,2,0,0|0,0,0]=2 2351 B13R2.32 CC1C(=O)CC[C@H]2CCCC[C@H]12 Amb27844186 [0,0,0,2,0,0|0,0,0]=2 2352 B13R2.32 CC1C(=O)NCC2CCCCN21 Amb26559941 [0,0,0,2,0,0|2,0,0]=4 2353 B13R2.32 CC1C(O)CCC2CCCCC21 Amb27853932 [0,0,0,2,0,0|0,0,2]=4 2354 B13R2.32 CC1CCC2CCCCC2C1=O Amb27663209 [0,0,0,2,0,0|0,0,0]=2 2355 B13R2.32 CC1CCC2CCCCC2C1N Amb27777236 [0,0,0,2,0,0|1,0,1]=4 2356 B13R2.32 CC1CCN2CCCCC2C1=O Amb27177686 [0,0,0,2,0,0|1,0,0]=3 2357 B13R2.32 CC1CNC2CCCCC2C1=O Amb9782233 [0,0,0,2,0,0|1,0,0]=3 2358 B13R2.32 CC1NCC2CCCCN2C1=O Amb25047467 [0,0,0,2,0,0|2,0,0]=4 2359 B13R2.32 CN1C(=O)CCC2CCCCC21 Amb27794604 [0,0,0,2,0,0|1,0,0]=3 2360 B13R2.32 CN1C(=O)CCC2CNCCC21 Amb25069819 [0,0,0,2,0,0|2,0,0]=4 2361 B13R2.32 CN1C(=O)CCC2CNCCC21 Amb31291216 [0,0,0,2,0,0|2,0,0]=4 2362 B13R2.32 CN1C(=O)CC[C@@H]2CCNC[C@H]21 Amb18826478 [0,0,0,2,0,0|2,0,0]=4 2363 B13R2.32 CN1C(=O)CC[C@@H]2CNCC[C@H]21 Amb18826482 [0,0,0,2,0,0|2,0,0]=4 2364 B13R2.32 CN1C(=O)CC[C@H]2CCCC[C@H]21 Amb28068988 [0,0,0,2,0,0|1,0,0]=3 2365 B13R2.32 CN1C(=O)CC[C@H]2CNCC[C@@H]21 Amb24712569 [0,0,0,2,0,0|2,0,0]=4 2366 B13R2.32 CN1C(=O)CC[C@H]2CNCC[C@H]21 Amb25314211 [0,0,0,2,0,0|2,0,0]=4 2367 B13R2.32 CN1C(=O)COC2CCCCC21 Amb27812138 [0,0,0,2,0,0|2,0,0]=4 2368 B13R2.32 CN1C(=O)CO[C@@H]2CCCC[C@H]21 Amb22756606 [0,0,0,2,0,0|2,0,0]=4 2369 B13R2.32 CN1C(=O)CO[C@@H]2CCCC[C@H]21 Amb33523724 [0,0,0,2,0,0|2,0,0]=4 2370 B13R2.32 CN1C(=O)CO[C@H]2CCCC[C@@H]21 Amb27629803 [0,0,0,2,0,0|2,0,0]=4 2371 B13R2.32 C[C@@H]1C(=O)CC[C@H]2CCCC[C@H]12 Amb28285931 [0,0,0,2,0,0|0,0,0]=2 2372 B13R2.32 C[C@@H]1[C@@H](O)CC[C@H]2CCCC[C@H]12 Amb27457735 [0,0,0,2,0,0|0,0,2]=4 2373 B13R2.32 C[C@H]1[C@H]2CCCC[C@@H]2CC[C@H]1O Amb27207840 [0,0,0,2,0,0|0,0,2]=4 2374 B13R2.32 NC1C(=O)CCC2CCCCC21 Amb27873828 [0,0,0,2,0,0|1,0,0]=3 2375 B13R2.32 O=C1C(F)CCC2CCCCC12 Amb24736430 [0,0,0,2,0,0|1,0,0]=3 2376 B13R2.32 O=C1C(O)CCN2CCCCC12 Amb27175916 [0,0,0,2,0,0|2,0,0]=4 2377 B13R2.32 O=C1C2CCCCC2CC[C@H]1Cl Amb27760477 [0,0,0,2,0,0|1,0,0]=3 2378 B13R2.32 O=C1CCC2CCCCC2C1=O Amb28120613 [0,0,0,2,0,0|1,0,1]=4 2379 B13R2.32 O=C1CC[C@@H]2CCCCC2C1=O Amb27227118 [0,0,0,2,0,0|1,0,1]=4 2380 B13R2.32 O=C1CC[C@H]2CCCC[C@@H]2[C@H]1F Amb28141326 [0,0,0,2,0,0|1,0,0]=3 2381 B13R2.32 O=C1NC[C@H]2CCCC[C@@H]2C1Cl Amb27863537 [0,0,0,2,0,0|2,0,0]=4 2382 B13R2.32 O=C1[C@@H](Cl)CC[C@H]2CCCC[C@H]12 Amb27202573 [0,0,0,2,0,0|1,0,0]=3 2383 B13R2.33 O=C1CC=C2CCCCC2CC1 Amb27177590 [0,0,0,2,0,0|0,0,2]=4 2384 B13R2.33 O=C1CC=C2CCCC[C@@H]2CC1 Amb27828976 [0,0,0,2,0,0|0,0,2]=4 2385 B13R2.33 O=C1CCC2=C(CCCC2)CC1 Amb28144213 [0,0,0,2,0,0|0,0,2]=4 2386 B13R2.33 O=C1CC[C@H]2CCCC[C@@H]2OC1 Amb28052365 [0,0,0,2,0,0|1,0,0]=3 2387 B13R2.57 C=CC1CC[C@H]2CCCC[C@@H]2N1 Amb28051929 [0,0,0,2,0,0|2,0,0]=4 2388 B13R2.57 CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 Amb28411314 [0,0,0,2,0,0|2,0,0]=4 2389 B13R2.57 CN[C@H]1CC[C@H]2CCCC[C@@H]2C1 Amb28052166 [0,0,0,2,0,0|2,0,0]=4 2390 B13R2.57 ClCC1CCC2CCCCC2C1 Amb27175907 [0,0,0,2,0,0|1,0,1]=4 2391 B13R2.57 ICC1CCC2CCCCC2C1 Amb25323964 [0,0,0,2,0,0|1,0,1]=4 2392 B13R2.57 NCC1CCC2CCCCC2C1 Amb27770289 [0,0,0,2,0,0|1,0,1]=4 2393 B13R2.57 O=CC1CCC2=C(CCCC2)C1 Amb18646128 [0,0,0,2,0,0|0,0,2]=4 2394 B13R2.57 O=CN1CCN2CCCCC2C1 Amb28349560 [0,0,0,2,0,0|2,0,0]=4 2395 B13R2.57 OCC1CCC2CCCCC2C1 Amb27205831 [0,0,0,2,0,0|0,0,2]=4 2396 B13R2.57 OCC1CC[C@H]2CCCC[C@@H]2C1 Amb27184504 [0,0,0,2,0,0|0,0,2]=4 2397 B13R2.57 ONC1CCC2CCCCC2C1 Amb28289236 [0,0,0,2,0,0|1,0,1]=4 2398 B13R2.88 C\C=C1\CCCCC12CCC2=O Amb27437344 [0,0,0,2,0,0|0,0,2]=4 2399 B13R2.89 CCC1CCCCC12CC2CBr Amb27761910 [0,0,0,2,0,0|1,0,1]=4 2400 B13R2.92 CCC1CCCCC1C2CC2N Amb27246989 [0,0,0,2,0,0|1,0,1]=4 2401 B13R2.489 CCCCN1C2C=CCC1CC2 Amb27651203 [0,0,0,2,0,0|2,0,0]=4 2402 B13R2.489 O=CCCN1C2CCC1COC2 Amb35596431 [0,0,0,2,0,0|2,0,0]=4 2403 B13R2.571 CC[C@@H]1CN2CC[C@@H]1CC2C=O Amb27636957 [0,0,0,2,0,0|1,0,0]=3 2404 B13R2.571 CC[C@@H]1CN2CC[C@H]1CC2C=O Amb27446699 [0,0,0,2,0,0|1,0,0]=3 2405 B13R2.573 C=C1CCC2C(CO)CCCC12 Amb27598468 [0,0,0,2,0,0|2,0,0]=4 2406 B13R2.573 C=C1CC[C@@H]2[C@@H](CO)CCC[C@H]12 Amb28388641 [0,0,0,2,0,0|2,0,0]=4 2407 B13R2.573 CCN1CCC[C@H]2C(=O)NC[C@H]21 Amb27219298 [0,0,0,2,0,0|2,0,0]=4 2408 B13R2.573 COC1CCC[C@@H]2C(=O)CC[C@@H]12 Amb28144226 [0,0,0,2,0,0|1,0,0]=3 2409 B13R2.573 O=C1CCC2C(CO)CCCC12 Amb27616860 [0,0,0,2,0,0|1,0,0]=3 2410 B13R2.621 CCC1CCCCC1CC2CO2 Amb28070892 [0,0,0,2,0,0|0,0,2]=4 2411 B13R2.667 C\C=C1\CCC2CC1CCC2=O Amb27626946 [0,0,0,2,0,0|0,0,2]=4 2412 B13R2.7258 N#CC12CCCCC1CCCC2 Amb27441995 [0,0,0,2,0,0|1,0,1]=4 2413 B13R2.230 O=C1CCC2C=C1CCCCC2 Amb27211981 [0,0,0,2,0,0|0,0,2]=4 2414 B13R2.232 CC1=CCC2CCCC2CC1=O Amb27177817 [0,0,0,2,0,0|0,0,2]=4 2415 B13R2.232 CC1CN2CCCC2CNC1=O Amb26003993 [0,0,0,2,0,0|2,0,0]=4 2416 B13R2.369 CC1=CC2CCCCC2CC1=O Amb27177482 [0,0,0,2,0,0|0,0,2]=4 2417 B13R2.369 CC1CC2=C(CCCC2)CC1=O Amb27802455 [0,0,0,2,0,0|0,0,2]=4 2418 B13R2.369 CC1CC2CCCCC2=CC1=O Amb26373136 [0,0,0,2,0,0|0,0,2]=4 2419 B13R2.369 CC1CC2CCCCC2CC1=O Amb4012872 [0,0,0,2,0,0|0,0,0]=2 2420 B13R2.369 CC1CC2CCCCC2NC1=O Amb28072984 [0,0,0,2,0,0|1,0,0]=3 2421 B13R2.369 CC1CC2CCCCC2OC1=O Amb27864546 [0,0,0,2,0,0|1,0,0]=3 2422 B13R2.369 CC1C[C@H]2CCCC[C@H]2CC1=O Amb28052219 [0,0,0,2,0,0|0,0,0]=2 2423 B13R2.369 CC1OC2CCCCC2NC1=O Amb28203989 [0,0,0,2,0,0|2,0,0]=4 2424 B13R2.369 CN1CC2CCCCN2CC1=O Amb27793656 [0,0,0,2,0,0|2,0,0]=4 2425 B13R2.369 CN1C[C@H]2CCCC[C@@H]2NC1=O Amb28132337 [0,0,0,2,0,0|2,0,0]=4 2426 B13R2.369 C[C@@H]1C[C@@H]2CCCC[C@H]2C[C@@H]1O Amb27484828 [0,0,0,2,0,0|0,0,2]=4 2427 B13R2.369 C[C@@H]1C[C@H]2CCCC[C@@H]2C[C@H]1O Amb28069748 [0,0,0,2,0,0|0,0,2]=4 2428 B13R2.369 C[C@H]1C[C@@H]2CCCCC2=CC1=O Amb27489049 [0,0,0,2,0,0|0,0,2]=4 2429 B13R2.369 NC1CC2CCCCC2NC1=O Amb28386480 [0,0,0,2,0,0|2,0,0]=4 2430 B13R2.369 N[C@H]1C[C@H]2CCCC[C@@H]2CC1=O Amb27813279 [0,0,0,2,0,0|1,0,0]=3 2431 B13R2.369 O=C1CC2CCCCC2CC1F Amb27177685 [0,0,0,2,0,0|1,0,0]=3 2432 B13R2.369 O=C1C[C@@H]2CCCC[C@@H]2C[C@@H]1O Amb27620390 [0,0,0,2,0,0|1,0,0]=3 2433 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2CC1Cl Amb27266095 [0,0,0,2,0,0|1,0,0]=3 2434 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@@H]1F Amb27204903 [0,0,0,2,0,0|1,0,0]=3 2435 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@@H]1O Amb27195837 [0,0,0,2,0,0|1,0,0]=3 2436 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@H]1O Amb27861319 [0,0,0,2,0,0|1,0,0]=3 2437 B13R2.369 O=C1NC2CCCCC2CC1Cl Amb25724917 [0,0,0,2,0,0|2,0,0]=4 2438 B13R2.369 O=C1N[C@H]2CCCC[C@H]2CC1Cl Amb28052073 [0,0,0,2,0,0|2,0,0]=4 2439 B13R2.4745 CC1CC2=C(CCCCC2)C1=O Amb27177836 [0,0,0,2,0,0|0,0,2]=4 2440 B13R2.4745 CN1C(=O)CC2CCCNCC21 Amb27408398 [0,0,0,2,0,0|2,0,0]=4 2441 B13R2.4745 CN1C(=O)C[C@@H]2CCCNC[C@H]21 Amb18826476 [0,0,0,2,0,0|2,0,0]=4 2442 B13R2.4745 CN1C(=O)C[C@@H]2CCNCC[C@H]21 Amb18826474 [0,0,0,2,0,0|2,0,0]=4 2443 B13R2.4745 CN1C(=O)C[C@@H]2CNCCC[C@H]21 Amb18826480 [0,0,0,2,0,0|2,0,0]=4 2444 B13R2.4745 N[C@@H]1C(=O)O[C@H]2CCCCC[C@H]21 Amb27878655 [0,0,0,2,0,0|2,0,0]=4 2445 B13R2.4745 O=C1O[C@@H]2CCCCC[C@@H]2[C@H]1Cl Amb27231843 [0,0,0,2,0,0|2,0,0]=4 2446 B13R2.4745 O=C1O[C@H]2CCCCC[C@@H]2[C@@H]1Cl Amb28384127 [0,0,0,2,0,0|2,0,0]=4 2447 B13R2.4821 CC12CCCCC1=CCCC2=O Amb27176042 [0,0,0,2,0,0|0,0,2]=4 2448 B13R2.4821 CC12CCCCC1CCCC2=O Amb25077647 [0,0,0,2,0,0|0,0,0]=2 2449 B13R2.4821 C[C@@]12CCCCC1CCC[C@H]2O Amb27775906 [0,0,0,2,0,0|0,0,2]=4 2450 B13R2.4821 C[C@@]12CCCC[C@@H]1CCC[C@@H]2O Amb27484661 [0,0,0,2,0,0|0,0,2]=4 2451 B13R2.4821 C[C@@]12CCCC[C@H]1CCC[C@H]2O Amb28207115 [0,0,0,2,0,0|0,0,2]=4 2452 B13R2.4821 C[C@]12C=CCC[C@@H]1CCCC2=O Amb28074732 [0,0,0,2,0,0|0,0,2]=4 2453 B13R2.4821 C[C@]12CCCC[C@@H]1CCC[C@@H]2O Amb28325950 [0,0,0,2,0,0|0,0,2]=4 2454 B13R2.4821 C[C@]12CCCC[C@@H]1CCC[C@H]2O Amb28370063 [0,0,0,2,0,0|0,0,2]=4 2455 B13R2.4821 C[C@]12CCCC[C@H]1CC=CC2=O Amb27844292 [0,0,0,2,0,0|0,0,2]=4 2456 B13R2.4821 C[C@]12CCCC[C@H]1CCCC2O Amb28344626 [0,0,0,2,0,0|0,0,2]=4 2457 B13R2.4821 O=C1CCCC2CCCCC12O Amb28122454 [0,0,0,2,0,0|1,0,0]=3 2458 B13R2.4821 O=C1CCC[C@@H]2CCCC[C@@]12O Amb27208667 [0,0,0,2,0,0|1,0,0]=3 2459 B13R2.5226 O=C1CCCCCCC[C@H]2C[C@@H]12 Amb27640532 [0,0,0,2,0,0|0,0,0]=2 2460 B13R2.5254 CC12CCCC1CCCCC2O Amb27605225 [0,0,0,2,0,0|0,0,2]=4 2461 B13R2.5254 C[C@]12CCC[C@H]1CCCC[C@@H]2O Amb27420333 [0,0,0,2,0,0|0,0,2]=4 2462 B13R2.163 NC1=NCCC2CCCCC2C1 Amb27657800 [0,0,0,2,0,0|2,0,0]=4 2463 B13R2.163 O=C1C=C2CCCCC2CCC1 Amb27177506 [0,0,0,2,0,0|0,0,2]=4 2464 B13R2.163 O=C1CC2CCCCN2CCN1 Amb26316859 [0,0,0,2,0,0|2,0,0]=4 2465 B13R2.163 O=C1CCC=C2CCCCC2C1 Amb27599398 [0,0,0,2,0,0|0,0,2]=4 2466 B13R2.163 O=C1CCCC2=C(CCCC2)C1 Amb27211979 [0,0,0,2,0,0|0,0,2]=4 2467 B13R2.163 O=C1CCC[C@@H]2CCCC[C@@H]2C1 Amb28457521 [0,0,0,2,0,0|0,0,0]=2 2468 B13R2.163 O=C1CCC[C@@H]2CCCC[C@H]2N1 Amb27220587 [0,0,0,2,0,0|1,0,0]=3 2469 B13R2.163 O=C1CCC[C@@H]2CCNC[C@H]2N1 Amb18826477 [0,0,0,2,0,0|2,0,0]=4 2470 B13R2.163 O=C1CCC[C@@H]2CNCC[C@H]2N1 Amb18826481 [0,0,0,2,0,0|2,0,0]=4 2471 B13R2.163 O=C1CCSC2CCCCC2N1 Amb28364400 [0,0,0,2,0,0|2,0,0]=4 2472 B13R2.163 O=C1COC[C@@H]2CCCC[C@@H]2N1 Amb27662094 [0,0,0,2,0,0|2,0,0]=4 2473 B13R2.163 O=C1COC[C@H]2CCCC[C@@H]2N1 Amb27790258 [0,0,0,2,0,0|2,0,0]=4 2474 B13R2.163 O=C1NCC[C@@H]2CCCC[C@H]2O1 Amb32992735 [0,0,0,2,0,0|2,0,0]=4 2475 B13R2.163 S=C1CCCC2CCCCC2N1 Amb28240524 [0,0,0,2,0,0|1,1,0]=4 2476 B13R2.268 NCCC1CCCCC1C2CC2 Amb35676091 [0,0,0,2,0,0|1,0,1]=4 2477 B13R2.268 O=C=NC1CCCCC1C2CC2 Amb29852818 [0,0,0,2,0,0|1,0,1]=4 2478 B13R2.268 O=CNC1CCCCC1C2CC2 Amb35603620 [0,0,0,2,0,0|1,0,0]=3 2479 B13R2.312 COCC1CC2CCC1CC2=O Amb27389481 [0,0,0,2,0,0|1,0,0]=3 2480 B13R2.747 CNCC1CCCCC12CCC2 Amb25941013 [0,0,0,2,0,0|2,0,0]=4 2481 B13R2.747 CNCC1CCCCC12CCC2 Amb33621102 [0,0,0,2,0,0|2,0,0]=4 2482 B13R2.2930 CCC1C2CCCCC2C1NC Amb28410681 [0,0,0,2,0,0|2,0,0]=4 2483 B13R2.4079 C=CCB1C2CCCC1CCC2 Amb28397358 [0,0,0,2,0,0|2,0,0]=4 2484 B13R2.4079 CCCC1C2CCCC1CNC2 Amb28255601 [0,0,0,2,0,0|2,0,0]=4 2485 B13R2.4079 NCCC1C2CCCC1CCC2 Amb27791142 [0,0,0,2,0,0|1,0,1]=4 2486 B13R2.4079 OCCC1C2CCCC1CCC2 Amb27842341 [0,0,0,2,0,0|0,0,2]=4 2487 B13R2.26 CNCC1CC2CCCCC2C1 Amb27239181 [0,0,0,2,0,0|2,0,0]=4 2488 B13R2.296 NCCC1CCCC2CC2CC1 Amb32862955 [0,0,0,2,0,0|1,0,1]=4 2489 B13R2.9439 O=CC1[C@@H]2C=CCCCCC[C@H]12 Amb28287346 [0,0,0,2,0,0|0,0,2]=4 2490 B13R2.218 O=C1CC=CCC2CCCC2C1 Amb27177727 [0,0,0,2,0,0|0,0,2]=4 2491 B13R2.218 O=C1CCCCC2CCCC2C1 Amb28351378 [0,0,0,2,0,0|0,0,0]=2 2492 B13R2.218 O=C1CCCC[C@@H]2CCC[C@@H]2C1 Amb28285836 [0,0,0,2,0,0|0,0,0]=2 2493 B13R2.218 O=C1CCCC[C@@H]2CCC[C@H]2C1 Amb28199945 [0,0,0,2,0,0|0,0,0]=2 2494 B13R2.218 O=C1CCCC[C@@H]2NCC[C@H]2N1 Amb30527616 [0,0,0,2,0,0|2,0,0]=4 2495 B13R2.218 OC1CCCCC2CCCC2C1 Amb28078926 [0,0,0,2,0,0|0,0,2]=4 2496 B13R2.218 O[C@@H]1CCCC[C@@H]2CCC[C@H]2C1 Amb27207770 [0,0,0,2,0,0|0,0,2]=4 2497 B13R2.393 O=C1CCCCC2OC2CCC1 Amb32620332 [0,0,0,2,0,0|1,0,0]=3 2498 B13R2.3672 O=C1CCC2CCCCCCC12 Amb28202072 [0,0,0,2,0,0|0,0,0]=2 2499 B13R2.4820 O=C1CCCC2=C1CCCCC2 Amb28202323 [0,0,0,2,0,0|0,0,2]=4 2500 B13R2.4820 O=C1CCCC2CCCCC=C12 Amb28461159 [0,0,0,2,0,0|0,0,2]=4 2501 B13R2.4820 O=C1CCC[C@H]2CC=CCC[C@H]12 Amb27212444 [0,0,0,2,0,0|0,0,2]=4 2502 B13R2.4820 O=C1CCC[C@H]2CCCCC[C@H]12 Amb27212437 [0,0,0,2,0,0|0,0,0]=2 2503 B13R2.4820 O=C1CCNC2CCCCCN12 Amb33295208 [0,0,0,2,0,0|2,0,0]=4 2504 B13R2.4820 O=C1CCOC2CCCCCC12 Amb18826487 [0,0,0,2,0,0|1,0,0]=3 2505 B13R2.4820 O=C1NCCN2CCCCCC12 Amb2692468 [0,0,0,2,0,0|2,0,0]=4 2506 B13R2.4820 O[C@@H]1CCC[C@H]2CCCCC[C@H]12 Amb28321263 [0,0,0,2,0,0|0,0,2]=4 2507 B13R2.4820 O[C@H]1CCC[C@H]2CCCCC[C@H]12 Amb27420626 [0,0,0,2,0,0|0,0,2]=4 2508 B13R2.168 C=C1CCCC12CCCCC2=O Amb28202177 [0,0,0,2,0,0|0,0,2]=4 2509 B13R2.168 CC1CC=CCC12CCCC2=O Amb27261988 [0,0,0,2,0,0|0,0,2]=4 2510 B13R2.168 CC1CNCC12CCCCC2=O Amb32650598 [0,0,0,2,0,0|1,0,0]=3 2511 B13R2.168 CC1CNCC12COCCC2=O Amb32650614 [0,0,0,2,0,0|2,0,0]=4 2512 B13R2.168 CC1NCCCC12CCOC2=O Amb24088101 [0,0,0,2,0,0|2,0,0]=4 2513 B13R2.168 C[C@@H]1CCC[C@@]12CCCCC2=O Amb28054446 [0,0,0,2,0,0|0,0,0]=2 2514 B13R2.168 O=C1CCCCC12CCCC2=O Amb28461210 [0,0,0,2,0,0|1,0,1]=4 2515 B13R2.168 O=C1CCCC[C@@]12CCCC2=O Amb27177611 [0,0,0,2,0,0|1,0,1]=4 2516 B13R2.168 O=C1NCCC12CCCCC2O Amb27958784 [0,0,0,2,0,0|2,0,0]=4 2517 B13R2.215 CC1CCC1N2CCNCC2=O Amb28424083 [0,0,0,2,0,0|2,0,0]=4 2518 B13R2.215 O=C1CCCCC1C2CCC2=O Amb27614654 [0,0,0,2,0,0|1,0,1]=4 2519 B13R2.305 CCOC1OC12CCCCC2=O Amb27177704 [0,0,0,2,0,0|2,0,0]=4 2520 B13R2.305 CNCC1CC12CCCCC2C Amb18799005 [0,0,0,2,0,0|2,0,0]=4 2521 B13R2.305 C\C=C\[C@H]1C[C@]12CCCCC2=O Amb27262919 [0,0,0,2,0,0|0,0,2]=4 2522 B13R2.342 CC1CCCC2C(=O)OCCN12 Amb27764272 [0,0,0,2,0,0|2,0,0]=4 2523 B13R2.342 CN1CCCC2C(=O)CCCC21 Amb28324335 [0,0,0,2,0,0|1,0,0]=3 2524 B13R2.342 CN1CCCC2C(=O)NCCC21 Amb27816822 [0,0,0,2,0,0|2,0,0]=4 2525 B13R2.342 CN1CCC[C@@H]2C(=O)CCC[C@@H]21 Amb28052530 [0,0,0,2,0,0|1,0,0]=3 2526 B13R2.342 O=C1CCC[C@@H]2C(O)CCC[C@@H]12 Amb28052221 [0,0,0,2,0,0|1,0,0]=3 2527 B13R2.342 O=C1CCC[C@@H]2[C@@H]1CCC[C@H]2O Amb28253947 [0,0,0,2,0,0|1,0,0]=3 2528 B13R2.342 O=C1CCC[C@H]2[C@@H](O)CCC[C@@H]12 Amb27263023 [0,0,0,2,0,0|1,0,0]=3 2529 B13R2.342 O=C1CCC[C@H]2[C@@H](O)CCC[C@H]12 Amb27427680 [0,0,0,2,0,0|1,0,0]=3 2530 B13R2.342 O=C1CCNC2C(O)CCCC12 Amb27261783 [0,0,0,2,0,0|2,0,0]=4 2531 B13R2.342 O=C1NCCC2C(F)CCCC12 Amb27793564 [0,0,0,2,0,0|2,0,0]=4 2532 B13R2.486 CCCCC1C2CCC1C(=O)C2 Amb27861493 [0,0,0,2,0,0|0,0,0]=2 2533 B13R2.486 CCCC[C@@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb28052421 [0,0,0,2,0,0|0,0,0]=2 2534 B13R2.486 CCCC[C@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb27785530 [0,0,0,2,0,0|0,0,0]=2 2535 B13R2.567 CC1CCCCC1C2CC2CBr Amb28456114 [0,0,0,2,0,0|1,0,1]=4 2536 B13R2.567 CN1CCCCC1C2CC2C=O Amb25136264 [0,0,0,2,0,0|1,0,0]=3 2537 B13R2.658 CO[C@H]1CC[C@@H]2CCN1CC2=O Amb27973099 [0,0,0,2,0,0|2,0,0]=4 2538 B13R2.2411 O=C1[C@H]2CCC[C@@H]1C[C@H]2CCO Amb27196267 [0,0,0,2,0,0|1,0,0]=3 2539 B13R2.3587 N=C1CCCCN1CCC2CC2 Amb27803579 [0,0,0,2,0,0|2,0,0]=4 2540 B13R2.3587 O=C1CCNCC1CCC2CC2 Amb27459104 [0,0,0,2,0,0|1,0,0]=3 2541 B13R2.3587 O=C1CNCCN1CCC2CC2 Amb27801862 [0,0,0,2,0,0|2,0,0]=4 2542 B13R2.3587 O=C1NCCNC1CCC2CC2 Amb27427439 [0,0,0,2,0,0|2,0,0]=4 2543 B13R2.3587 OC1CCCCC1CCC2CC2 Amb26371911 [0,0,0,2,0,0|0,0,2]=4 2544 B13R2.3587 O[C@@H]1CCCC[C@H]1CCC2CC2 Amb32944361 [0,0,0,2,0,0|0,0,2]=4 2545 B13R2.5225 O=C1CCCCN1CN2CCC2 Amb27826028 [0,0,0,2,0,0|2,0,0]=4 2546 B13R2.5225 O=C1NCCCN1CC2CCC2 Amb28067008 [0,0,0,2,0,0|2,0,0]=4 2547 B13R2.5225 OC1CCCCC1CC2CCC2 Amb27448941 [0,0,0,2,0,0|0,0,2]=4 2548 B13R2.5225 O[C@@H]1CCCC[C@H]1CC2CCC2 Amb32950312 [0,0,0,2,0,0|0,0,2]=4 2549 B13R2.179 C=C1C[C@H]1CC[C@H]2CCCC2=O Amb28052462 [0,0,0,2,0,0|0,0,2]=4 2550 B13R2.1646 CCC1CCCCCC12CC2N Amb29857928 [0,0,0,2,0,0|1,0,1]=4 2551 B13R2.775 O=CCC1CCCN1C2CCC2 Amb28060935 [0,0,0,2,0,0|1,0,0]=3 2552 B13R2.3152 O=C1NCCC1SCC2CCC2 Amb27980150 [0,0,0,2,0,0|2,0,0]=4 2553 B13R2.3152 OC1CCCC1CCC2CCC2 Amb26968979 [0,0,0,2,0,0|0,0,2]=4 2554 B13R2.3152 O[C@@H]1CCC[C@H]1CCC2CCC2 Amb32944942 [0,0,0,2,0,0|0,0,2]=4 2555 B13R2.4894 OC1CCC1CCCC2CCC2 Amb32944726 [0,0,0,2,0,0|0,0,2]=4 2556 B13R2.6426 CCC1CCCCCC12CCN2 Amb35671752 [0,0,0,2,0,0|1,0,1]=4 2557 B13R2.6840 C1CCC(CC2CCC2)CNC1 Amb27258830 [0,0,0,2,0,0|2,0,0]=4 2558 B13R2.6840 C1CCCC(CC2CNC2)CC1 Amb25667338 [0,0,0,2,0,0|2,0,0]=4 2559 B13R2.6844 C1CCCC(C2CCN2)CCC1 Amb27620345 [0,0,0,2,0,0|1,0,1]=4 2560 B13R2.255 CCC[C@H]1C=C[C@@H]2CC[C@H]1C2=O Amb27854620 [0,0,0,2,0,0|0,0,2]=4 2561 B13R2.594 CNC1CCCCCC1C2CC2 Amb27167076 [0,0,0,2,0,0|2,0,0]=4 2562 B13R2.594 NCC1CCCCCC1C2CC2 Amb27654913 [0,0,0,2,0,0|1,0,1]=4 2563 B13R2.4128 NCCC1CCCCCC12CC2 Amb18826814 [0,0,0,2,0,0|1,0,1]=4 2564 B13R2.309 CCCC1CC1N2CNCC2=O Amb28244358 [0,0,0,2,0,0|2,0,0]=4 2565 B13R2.4440 CNCC1CC12CCCCCC2 Amb18963644 [0,0,0,2,0,0|2,0,0]=4 2566 B13R2.4440 O=CCC1CC12CCCCCC2 Amb27229439 [0,0,0,2,0,0|0,0,0]=2 2567 B13R2.4440 OCCC1CC12CCCCCC2 Amb27646832 [0,0,0,2,0,0|0,0,2]=4 2568 B13R2.515 CCCCC1CC2CC1CC2O Amb27977968 [0,0,0,2,0,0|0,0,2]=4 2569 B13R2.515 COCOC1CC2CC1CC2=O Amb27164575 [0,0,0,2,0,0|2,0,0]=4 2570 B13R2.515 COCO[C@H]1C[C@@H]2C[C@H]1CC2=O Amb27972938 [0,0,0,2,0,0|2,0,0]=4 2571 B13R2.8173 O=CCCC12CCC[C@H]1OCC2 Amb33447716 [0,0,0,2,0,0|1,0,0]=3 2572 B13R2.164 C=CCCN1CC2CCCC2C1 Amb27661901 [0,0,0,2,0,0|2,0,0]=4 2573 B13R2.911 CNCCC1[C@H]2CCCCC[C@@H]12 Amb27872524 [0,0,0,2,0,0|2,0,0]=4 2574 B13R2.911 O=CCCC1C2CCCCCC12 Amb27872796 [0,0,0,2,0,0|0,0,0]=2 2575 B13R2.1320 OCC1CC12CCCCCCC2 Amb27835602 [0,0,0,2,0,0|0,0,2]=4 2576 B13R2.5334 O=C1CCC12CCCCCCC2 Amb26476577 [0,0,0,2,0,0|0,0,0]=2 2577 B13R2.181 CC1CCCN1C2CCCC2=O Amb18792955 [0,0,0,2,0,0|1,0,0]=3 2578 B13R2.181 CC1CCCN1C2CCOC2=O Amb27806048 [0,0,0,2,0,0|2,0,0]=4 2579 B13R2.181 CN1CCCC1C2CCCC2=O Amb27240603 [0,0,0,2,0,0|1,0,0]=3 2580 B13R2.181 O=C1CCCC1C2COCC2O Amb27206944 [0,0,0,2,0,0|2,0,0]=4 2581 B13R2.181 O=C1CSCC1C2CCCC2O Amb28281335 [0,0,0,2,0,0|2,0,0]=4 2582 B13R2.360 CC1CCC1NC2CCNC2=O Amb35685840 [0,0,0,2,0,0|2,0,0]=4 2583 B13R2.505 CCCC[C@@H]1O[C@]12CCCC2=O Amb27973101 [0,0,0,2,0,0|1,0,0]=3 2584 B13R2.550 CCC1CC1CN2CCCC2=N Amb27483245 [0,0,0,2,0,0|2,0,0]=4 2585 B13R2.550 CCC1OC1CC2CCCC2=O Amb28253713 [0,0,0,2,0,0|1,0,0]=3 2586 B13R2.550 CC[C@@H]1C[C@H]1CN2CNCC2=O Amb27266214 [0,0,0,2,0,0|2,0,0]=4 2587 B13R2.3130 O=C1CCCC12CCCCCC2 Amb28202218 [0,0,0,2,0,0|0,0,0]=2 2588 B13R2.3130 O=C1CCNC12CCCCCC2 Amb27636456 [0,0,0,2,0,0|1,0,0]=3 2589 B13R2.3130 O=C1CCOC12CCCCCC2 Amb32990561 [0,0,0,2,0,0|1,0,0]=3 2590 B13R2.3140 OC1CCCC1CCCC2CC2 Amb33213183 [0,0,0,2,0,0|0,0,2]=4 2591 B13R2.3140 O[C@@H]1CCC[C@H]1CCCC2CC2 Amb32950153 [0,0,0,2,0,0|0,0,2]=4 2592 B13R2.4880 OC1CCC1C2CCCCCC2 Amb32944373 [0,0,0,2,0,0|0,0,2]=4 2593 B13R2.1411 NCC1CC1C2CCCCCC2 Amb26370703 [0,0,0,2,0,0|1,0,1]=4 2594 B13R2.1411 NC[C@@H]1C[C@H]1C2CCCCCC2 Amb32882192 [0,0,0,2,0,0|1,0,1]=4 2595 B13R2.1411 O=CC1CC1C2CCCCCC2 Amb32669257 [0,0,0,2,0,0|0,0,0]=2