0 B11R0.3 BrCCCCCCCCCCBr Amb2721556 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C#CCCC#CCCCCC=C Amb17779515 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.3 C#CCCCCCCCCCC Amb2721432 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.3 C=CCCCCCCCCC=O Amb8513533 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.3 C=CCCCCCCCCCBr Amb2691196 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.3 C=CCCCCCCCCCC Amb3940486 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.3 C=CCCCCCCCCCCl Amb2721562 [0,0,0,0,0,0|1,0,0]=1 7 B11R0.3 C=CCCCCCCCCCN Amb2721533 [0,0,0,0,0,0|1,0,0]=1 8 B11R0.3 C=CCCCCCCCCCO Amb2721673 [0,0,0,0,0,0|0,0,0]=0 9 B11R0.3 CCCCCCCCCCCBr Amb8514664 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.3 CCCCCCCCCCCC Amb8513157 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.3 CCCCCCCCCCCCl Amb9787117 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.3 CCCCCCCCCCCN Amb3941511 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.3 CCCCCCCCCCCO Amb6646062 [0,0,0,0,0,0|0,0,2]=2 14 B11R0.3 CCCCCCCCCCNC Amb33934687 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.3 CCCCCCCCCCNC Amb9787067 [0,0,0,0,0,0|2,0,1]=3 16 B11R0.3 CCCCCCCCCN=C=S Amb2689944 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.3 CCCCCCCCCN=[N+]=[N-] Amb18633019 [0,0,0,0,0,0|4,0,0]=4 18 B11R0.3 CCCCCCCCCNCC Amb7761767 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.3 CCCCCCCCNCCN Amb18794624 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.3 CCCCCCCCNCCN Amb22358941 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.3 CCCCCCCCNCCO Amb7757629 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.3 CCCCCCCCOCCN Amb7790956 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.3 CCCCCCCCOCCO Amb9787110 [0,0,0,0,0,0|1,0,2]=3 24 B11R0.3 CCCCCCCCSCCN Amb7794933 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.3 CCCCCCCCSCCO Amb33531593 [0,0,0,0,0,0|1,0,2]=3 26 B11R0.3 CCCCCCCCSCCS Amb9787630 [0,0,0,0,0,0|1,1,2]=4 27 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [0,0,0,0,0,0|0,0,4]=4 29 B11R0.3 CCCCCCCNCCCC Amb4313708 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.3 CCCCCCCNCCCN Amb18794637 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.3 CCCCCCCNCCCO Amb4304117 [0,0,0,0,0,0|1,0,2]=3 32 B11R0.3 CCCCCCNCCCCC Amb6656070 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.3 CCCCCCNCCCOC Amb7760836 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.3 CCCCNCCCCCOC Amb33133268 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.3 COCCOCCOCCCO Amb32718722 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [0,0,0,0,0,0|0,0,2]=2 37 B11R0.3 ClCCCCCCCCCCCl Amb8514864 [0,0,0,0,0,0|2,0,1]=3 38 B11R0.3 FCCCCCCCCCCF Amb33756851 [0,0,0,0,0,0|2,0,1]=3 39 B11R0.3 ICCCCCCCCCCI Amb10071532 [0,0,0,0,0,0|2,0,1]=3 40 B11R0.3 N#CCCCCCCCCC#N Amb8516779 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.3 NCCCCCCCCCCN Amb33446968 [0,0,0,0,0,0|2,0,1]=3 42 B11R0.3 NCCCCCCCCCCN Amb798005 [0,0,0,0,0,0|2,0,1]=3 43 B11R0.3 NCCCCCCCCCCO Amb17607975 [0,0,0,0,0,0|1,0,1]=2 44 B11R0.3 NNCCCCCCCCNN Amb33339064 [0,0,0,0,0,0|4,0,0]=4 45 B11R0.3 NNCCCCCCCCNN Amb33465519 [0,0,0,0,0,0|4,0,0]=4 46 B11R0.3 NOCCCCCCCCON Amb33465512 [0,0,0,0,0,0|4,0,0]=4 47 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [0,0,0,0,0,0|2,0,0]=2 48 B11R0.3 OCCCCCCCCCCBr Amb2694963 [0,0,0,0,0,0|1,0,1]=2 49 B11R0.3 OCCCCCCCCCCCl Amb10844747 [0,0,0,0,0,0|1,0,1]=2 50 B11R0.3 OCCCCCCCCCCO Amb2721538 [0,0,0,0,0,0|1,0,1]=2 51 B11R0.3 OCCOCCCCOCCO Amb9787746 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.3 OCCSCCCCSCCO Amb9786146 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.3 [N-]=[N+]=NCCCCCCCCN Amb34913577 [0,0,0,0,0,0|4,0,0]=4 54 B11R0.3 [N-]=[N+]=NCCCCCCCCN Amb34913580 [0,0,0,0,0,0|4,0,0]=4 55 B11R0.3 [N-]=[N+]=NCCCCCCCCO Amb34913576 [0,0,0,0,0,0|3,0,0]=3 56 B10R0.71 BrCCCCCCCCCBr Amb8513101 [1,0,0,0,0,0|2,0,0]=3 57 B10R0.71 BrCCCCOCCCCBr Amb24064682 [1,0,0,0,0,0|3,0,0]=4 58 B10R0.71 C#CCCCCCCCCO Amb16231465 [1,0,0,0,0,0|0,0,2]=3 59 B10R0.71 C=CCCCCCCCC=O Amb22734770 [1,0,0,0,0,0|0,0,2]=3 60 B10R0.71 C=CCCCCCCCCBr Amb9786895 [1,0,0,0,0,0|1,0,0]=2 61 B10R0.71 C=CCCCCCCCCN Amb28652858 [1,0,0,0,0,0|1,0,0]=2 62 B10R0.71 C=CCCCCCCCCN Amb32653011 [1,0,0,0,0,0|1,0,0]=2 63 B10R0.71 C=CCCCCCCCCO Amb6364973 [1,0,0,0,0,0|0,0,0]=1 64 B10R0.71 C=COCCOCCOCC Amb4035046 [1,0,0,0,0,0|3,0,0]=4 65 B10R0.71 CCCCCCCC#CCO Amb17774678 [1,0,0,0,0,0|0,0,3]=4 66 B10R0.71 CCCCCCCCCC=O Amb3940437 [1,0,0,0,0,0|1,0,0]=2 67 B10R0.71 CCCCCCCCCCBr Amb2721517 [1,0,0,0,0,0|1,0,1]=3 68 B10R0.71 CCCCCCCCCCCl Amb8513081 [1,0,0,0,0,0|1,0,1]=3 69 B10R0.71 CCCCCCCCCCF Amb2688085 [1,0,0,0,0,0|1,0,1]=3 70 B10R0.71 CCCCCCCCCCI Amb3940280 [1,0,0,0,0,0|1,0,1]=3 71 B10R0.71 CCCCCCCCCCN Amb3940460 [1,0,0,0,0,0|1,0,1]=3 72 B10R0.71 CCCCCCCCCCO Amb3940390 [1,0,0,0,0,0|0,0,1]=2 73 B10R0.71 CCCCCCCCCCS Amb9787174 [1,0,0,0,0,0|0,1,1]=3 74 B10R0.71 CCCCCCCCCNC Amb10609826 [1,0,0,0,0,0|1,0,1]=3 75 B10R0.71 CCCCCCCCCNC Amb7761761 [1,0,0,0,0,0|1,0,1]=3 76 B10R0.71 CCCCCCCCN=C=O Amb3940552 [1,0,0,0,0,0|2,0,1]=4 77 B10R0.71 CCCCCCCCN=C=S Amb6572519 [1,0,0,0,0,0|2,0,1]=4 78 B10R0.71 CCCCCCCCNC=O Amb9787543 [1,0,0,0,0,0|2,0,0]=3 79 B10R0.71 CCCCCCCCOCC Amb9787535 [1,0,0,0,0,0|1,0,2]=4 80 B10R0.71 CCCCCCCCOCCl Amb22230404 [1,0,0,0,0,0|2,0,1]=4 81 B10R0.71 CCCCCCCCSCC Amb17672979 [1,0,0,0,0,0|1,0,2]=4 82 B10R0.71 CCCCCCCNCCC Amb4313521 [1,0,0,0,0,0|1,0,2]=4 83 B10R0.71 CCCCCCCNCCO Amb7809068 [1,0,0,0,0,0|1,0,1]=3 84 B10R0.71 CCCCCCCOCCO Amb8515986 [1,0,0,0,0,0|1,0,1]=3 85 B10R0.71 CCCCCCCSCCN Amb7794934 [1,0,0,0,0,0|2,0,1]=4 86 B10R0.71 CCCCCCCSCCO Amb7968786 [1,0,0,0,0,0|1,0,1]=3 87 B10R0.71 CCCCCCC\C=C\C=O Amb8517160 [1,0,0,0,0,0|1,0,2]=4 88 B10R0.71 CCCCCCNCCC#N Amb2688717 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.71 CCCCCCNCCCC Amb6730566 [1,0,0,0,0,0|1,0,2]=4 90 B10R0.71 CCCCCCNCCCN Amb17315272 [1,0,0,0,0,0|2,0,1]=4 91 B10R0.71 CCCCCCNCCCO Amb7758124 [1,0,0,0,0,0|1,0,1]=3 92 B10R0.71 CCCCCCNCCOC Amb7760715 [1,0,0,0,0,0|2,0,1]=4 93 B10R0.71 CCCCCCOCCC#N Amb7792025 [1,0,0,0,0,0|2,0,1]=4 94 B10R0.71 CCCCCCOCCCN Amb7764734 [1,0,0,0,0,0|2,0,1]=4 95 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,0,0,0,0|0,0,3]=4 96 B10R0.71 CCCCCNCCCCC Amb3941371 [1,0,0,0,0,0|1,0,2]=4 97 B10R0.71 CCCCCNCCCOC Amb6730381 [1,0,0,0,0,0|2,0,1]=4 98 B10R0.71 CCCCCSCCCCC Amb4020127 [1,0,0,0,0,0|1,0,2]=4 99 B10R0.71 CCCCCSCCCCN Amb17500943 [1,0,0,0,0,0|2,0,1]=4 100 B10R0.71 CCCCC\C=C\CCC=O Amb33512982 [1,0,0,0,0,0|1,0,2]=4 101 B10R0.71 CCCCNCCNCCO Amb32454894 [1,0,0,0,0,0|2,0,1]=4 102 B10R0.71 CCCCNCCOCCO Amb6736236 [1,0,0,0,0,0|2,0,1]=4 103 B10R0.71 CCCCOCCOCCO Amb8513428 [1,0,0,0,0,0|2,0,1]=4 104 B10R0.71 CCCCOCCSCCO Amb9787502 [1,0,0,0,0,0|2,0,1]=4 105 B10R0.71 CCCCSCCOCCO Amb9786123 [1,0,0,0,0,0|2,0,1]=4 106 B10R0.71 CCCNCCCCCOC Amb18797681 [1,0,0,0,0,0|2,0,1]=4 107 B10R0.71 CCNCCCNCCCO Amb20171980 [1,0,0,0,0,0|2,0,1]=4 108 B10R0.71 C\C=C\CNCCCCCO Amb32454907 [1,0,0,0,0,0|1,0,2]=4 109 B10R0.71 ClCCCCCCCCCCl Amb8513111 [1,0,0,0,0,0|2,0,0]=3 110 B10R0.71 ClCCCCOCCCCCl Amb2700588 [1,0,0,0,0,0|3,0,0]=4 111 B10R0.71 ICCCCCCCCCI Amb20242392 [1,0,0,0,0,0|2,0,0]=3 112 B10R0.71 N#CCCCCCCCCO Amb22641582 [1,0,0,0,0,0|1,0,1]=3 113 B10R0.71 NCCCCCCCCCN Amb8513818 [1,0,0,0,0,0|2,0,0]=3 114 B10R0.71 NCCCCCCCCCO Amb34183942 [1,0,0,0,0,0|1,0,0]=2 115 B10R0.71 NCCCCNCCCCN Amb31031073 [1,0,0,0,0,0|3,0,0]=4 116 B10R0.71 NCCCOCCOCCO Amb22292476 [1,0,0,0,0,0|3,0,0]=4 117 B10R0.71 OCCCCCCCCCBr Amb2694968 [1,0,0,0,0,0|1,0,0]=2 118 B10R0.71 OCCCCCCCCCI Amb32410519 [1,0,0,0,0,0|1,0,0]=2 119 B10R0.71 OCCCCCCCCCO Amb2721246 [1,0,0,0,0,0|1,0,0]=2 120 B10R0.71 OCCCCNCCCCO Amb21858890 [1,0,0,0,0,0|2,0,0]=3 121 B10R0.71 OCCCCOCCCCCl Amb32663942 [1,0,0,0,0,0|2,0,0]=3 122 B10R0.71 OCCNCCCNCCO Amb21858029 [1,0,0,0,0,0|3,0,0]=4 123 B10R0.71 OCCOCCCCCCCl Amb33719365 [1,0,0,0,0,0|2,0,0]=3 124 B10R0.71 OCCSCCCSCCO Amb9786147 [1,0,0,0,0,0|3,0,0]=4 125 B10R0.71 SCCCCCCCCCS Amb8513270 [1,0,0,0,0,0|1,1,0]=3 126 B10R0.71 [N-]=[N+]=NCCCCCCCO Amb34913457 [1,0,0,0,0,0|3,0,0]=4 127 B12R0.1 C=CCCCCCCC(=O)OCC Amb6298913 [0,1,0,0,0,0|2,0,1]=4 128 B12R0.1 CCCCCCCCC(O)CCC Amb9787107 [0,1,0,0,0,0|1,0,2]=4 129 B12R0.5 BrCCCCCCCCCCCBr Amb8514480 [0,1,0,0,0,0|1,0,2]=4 130 B12R0.5 C#CCCCCCCCCCCO Amb10602413 [0,1,0,0,0,0|0,0,2]=3 131 B12R0.5 C=CCCCCCCCCCCC Amb2721661 [0,1,0,0,0,0|1,0,0]=2 132 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [0,1,0,0,0,0|1,0,0]=2 133 B12R0.5 C=CCNCCCCCCCCC Amb7761762 [0,1,0,0,0,0|1,0,0]=2 134 B12R0.5 C=COCCOCCOCCOC Amb24117876 [0,1,0,0,0,0|3,0,0]=4 135 B12R0.5 CCCCCCCCCC#CCO Amb2609119 [0,1,0,0,0,0|0,0,3]=4 136 B12R0.5 CCCCCCCCCCCC#N Amb8384531 [0,1,0,0,0,0|1,0,2]=4 137 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [0,1,0,0,0,0|1,0,1]=3 138 B12R0.5 CCCCCCCCCCCCBr Amb6891945 [0,1,0,0,0,0|1,0,2]=4 139 B12R0.5 CCCCCCCCCCCCC Amb29471649 [0,1,0,0,0,0|1,0,2]=4 140 B12R0.5 CCCCCCCCCCCCC Amb8513362 [0,1,0,0,0,0|1,0,2]=4 141 B12R0.5 CCCCCCCCCCCCCl Amb4008392 [0,1,0,0,0,0|1,0,2]=4 142 B12R0.5 CCCCCCCCCCCCI Amb3940281 [0,1,0,0,0,0|1,0,2]=4 143 B12R0.5 CCCCCCCCCCCCN Amb3940463 [0,1,0,0,0,0|1,0,2]=4 144 B12R0.5 CCCCCCCCCCCCO Amb2721434 [0,1,0,0,0,0|0,0,2]=3 145 B12R0.5 CCCCCCCCCCCC[NH3+] Amb22049481 [0,1,0,0,0,0|1,0,2]=4 146 B12R0.5 CCCCCCCCCCCNC Amb32676722 [0,1,0,0,0,0|1,0,2]=4 147 B12R0.5 CCCCCCCCCCCNC Amb9787074 [0,1,0,0,0,0|1,0,2]=4 148 B12R0.5 CCCCCCCCCCN=C=S Amb2686679 [0,1,0,0,0,0|2,0,1]=4 149 B12R0.5 CCCCCCCCCCN=[N+]=[N-] Amb17939439 [0,1,0,0,0,0|3,0,0]=4 150 B12R0.5 CCCCCCCCCNCCC Amb7794670 [0,1,0,0,0,0|1,0,2]=4 151 B12R0.5 CCCCCCCCCSCCN Amb7794936 [0,1,0,0,0,0|1,0,2]=4 152 B12R0.5 CCCCCCCCCSCCO Amb7968787 [0,1,0,0,0,0|0,0,2]=3 153 B12R0.5 CCCCCCCCNCCC#N Amb2689969 [0,1,0,0,0,0|2,0,1]=4 154 B12R0.5 CCCCCCCCNCCCN Amb19058864 [0,1,0,0,0,0|1,0,2]=4 155 B12R0.5 CCCCCCCCNCCNC Amb2691994 [0,1,0,0,0,0|2,0,1]=4 156 B12R0.5 CCCCCCCCOCCCN Amb13951369 [0,1,0,0,0,0|1,0,2]=4 157 B12R0.5 CCCCCCCCOCCCN Amb7764731 [0,1,0,0,0,0|1,0,2]=4 158 B12R0.5 CCCCCCCNCCCCC Amb7761456 [0,1,0,0,0,0|1,0,2]=4 159 B12R0.5 CCCCCCNCCCCCC Amb3938960 [0,1,0,0,0,0|1,0,2]=4 160 B12R0.5 CCCCCCOCCCCCC Amb9787554 [0,1,0,0,0,0|1,0,2]=4 161 B12R0.5 CCCCCCOCCOCCO Amb9787187 [0,1,0,0,0,0|1,0,2]=4 162 B12R0.5 CCCCCCSCCCCCC Amb8513185 [0,1,0,0,0,0|1,0,2]=4 163 B12R0.5 CCCC\C=C\CCCCCCO Amb33513191 [0,1,0,0,0,0|0,0,3]=4 164 B12R0.5 CCOCCCCCCCCCBr Amb33719481 [0,1,0,0,0,0|1,0,2]=4 165 B12R0.5 CCOCCCCCCCCCO Amb22233218 [0,1,0,0,0,0|0,0,2]=3 166 B12R0.5 COCCCCCNCCCOC Amb33133269 [0,1,0,0,0,0|2,0,1]=4 167 B12R0.5 NCCCCCCCCCCCN Amb16233911 [0,1,0,0,0,0|1,0,2]=4 168 B12R0.5 NCCCCCCCCCCCO Amb26304136 [0,1,0,0,0,0|0,0,2]=3 169 B12R0.5 NCCCCCCCCCCCO Amb30988059 [0,1,0,0,0,0|0,0,2]=3 170 B12R0.5 NCCCCCCCCCCCS Amb22336989 [0,1,0,0,0,0|0,1,2]=4 171 B12R0.5 NOCCCCCCCCCON Amb33483168 [0,1,0,0,0,0|2,0,0]=3 172 B12R0.5 OCCCCCCCCCCCBr Amb3372065 [0,1,0,0,0,0|0,0,2]=3 173 B12R0.5 OCCCCCCCCCCCO Amb15692712 [0,1,0,0,0,0|0,0,2]=3 174 B12R0.5 OCCCCCCCCCCCS Amb8396653 [0,1,0,0,0,0|0,0,2]=3 175 B12R0.5 [N-]=[N+]=NCCCCCCCCCN Amb34913617 [0,1,0,0,0,0|3,0,0]=4 176 B12R0.5 [N-]=[N+]=NCCCCCCCCCN Amb34913619 [0,1,0,0,0,0|3,0,0]=4 177 B12R0.5 [N-]=[N+]=NCCCCCCCCCO Amb34913618 [0,1,0,0,0,0|2,0,0]=3 178 B12R0.47 CCCCCCC(C)NCCCO Amb7761294 [0,1,0,0,0,0|1,0,2]=4 179 B12R0.47 CCCCCCC(O)CCCCC Amb9787109 [0,1,0,0,0,0|1,0,2]=4 180 B12R0.206 CCCCCCCC(C)NCCO Amb7809070 [0,1,0,0,0,0|1,0,2]=4 181 B12R0.206 CCCCCCNC(C)CCCO Amb33363358 [0,1,0,0,0,0|1,0,2]=4 182 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [0,1,0,0,0,0|0,0,3]=4 183 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [0,1,0,0,0,0|1,0,0]=2 184 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [0,1,0,0,0,0|1,0,0]=2 185 B12R0.234 C=CCCCCCCCCC(=O)Cl Amb2721637 [0,1,0,0,0,0|0,0,2]=3 186 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [0,1,0,0,0,0|0,0,1]=2 187 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,1,0,0,0,0|2,0,1]=4 188 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [0,1,0,0,0,0|1,0,2]=4 189 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [0,1,0,0,0,0|2,0,0]=3 190 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [0,1,0,0,0,0|2,0,0]=3 191 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [0,1,0,0,0,0|1,0,1]=3 192 B12R0.234 CCCCCCCCCCC(C)N Amb8869702 [0,1,0,0,0,0|1,0,2]=4 193 B12R0.234 CCCCCCCCCCN(C)C Amb9787202 [0,1,0,0,0,0|2,0,1]=4 194 B12R0.234 CCCCCCCCCOC(=S)[S-] Amb534232 [0,1,0,0,0,0|3,0,0]=4 195 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [0,1,0,0,0,0|2,0,1]=4 196 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [0,1,0,0,0,0|3,0,0]=4 197 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [0,1,0,0,0,0|1,0,2]=4 198 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,1,0,0,0,0|2,0,0]=3 199 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [0,1,0,0,0,0|2,0,0]=3 200 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [0,1,0,0,0,0|2,0,0]=3 201 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [0,1,0,0,0,0|1,0,0]=2 202 B12R0.234 O=C(O)\C=C\CCCCCCCO Amb33757093 [0,1,0,0,0,0|1,0,2]=4 203 B12R0.248 C=CC(=O)NCCCCCCCC Amb28556071 [0,1,0,0,0,0|2,0,1]=4 204 B12R0.248 C=CC(=O)OCCCCCCCC Amb2778626 [0,1,0,0,0,0|2,0,1]=4 205 B12R0.248 C=CCCCCCCCC(=O)OC Amb533244 [0,1,0,0,0,0|2,0,1]=4 206 B12R0.248 CCCCCCCCCC(C)C=O Amb3940427 [0,1,0,0,0,0|2,0,0]=3 207 B12R0.248 COC(=O)CCCCCCCCO Amb17616943 [0,1,0,0,0,0|1,0,2]=4 208 B12R1.8 BrCCCCOC1CCCCO1 Amb10605338 [0,0,0,1,0,0|2,0,1]=4 209 B12R1.8 BrCCCOCC1CCCCO1 Amb9209734 [0,0,0,1,0,0|2,0,1]=4 210 B12R1.8 C#CCCCOC1CCCCO1 Amb9134790 [0,0,0,1,0,0|1,0,2]=4 211 B12R1.8 C=CCNCCC1=CCCCC1 Amb17309050 [0,0,0,1,0,0|2,0,1]=4 212 B12R1.8 C=CCSCCC1CCCCN1 Amb17503509 [0,0,0,1,0,0|2,0,0]=3 213 B12R1.8 CCCCCCC1CCCCC1 Amb22230753 [0,0,0,1,0,0|1,0,2]=4 214 B12R1.8 CCCCCCC1CCCCN1 Amb2235857 [0,0,0,1,0,0|1,0,2]=4 215 B12R1.8 CCCCCCC1CCCCN1 Amb3788214 [0,0,0,1,0,0|1,0,2]=4 216 B12R1.8 CCCCCCC1CCCNC1 Amb22642853 [0,0,0,1,0,0|2,0,1]=4 217 B12R1.8 CCCC\C=C\C1C=CCCC1 Amb22546770 [0,0,0,1,0,0|1,0,2]=4 218 B12R1.8 ClCCCCOC1CCCCO1 Amb3940864 [0,0,0,1,0,0|2,0,1]=4 219 B12R1.8 ICCCCOC1CCCCO1 Amb22055542 [0,0,0,1,0,0|2,0,1]=4 220 B12R1.8 NCCCCCC1CCCCC1 Amb18825833 [0,0,0,1,0,0|1,0,2]=4 221 B12R1.8 O=CCCCCC1CCCCC1 Amb33359606 [0,0,0,1,0,0|2,0,0]=3 222 B12R1.8 OCC#CCOC1C=CCCC1 Amb28292201 [0,0,0,1,0,0|1,0,2]=4 223 B12R1.8 OCCCCCN1CCCCC1 Amb13883419 [0,0,0,1,0,0|1,0,2]=4 224 B12R1.8 OCCCCNC1CCCCC1 Amb6334829 [0,0,0,1,0,0|1,0,2]=4 225 B12R1.8 OCCCNCC1CC=CCC1 Amb6733765 [0,0,0,1,0,0|1,0,2]=4 226 B12R1.8 OCCCNCC1CCCCC1 Amb6733597 [0,0,0,1,0,0|1,0,2]=4 227 B12R1.8 OCCNCCC1=CCCCC1 Amb17309067 [0,0,0,1,0,0|1,0,2]=4 228 B12R1.18 C#CCCC1CCCCCC1=O Amb27814092 [0,0,0,1,0,0|2,0,1]=4 229 B12R1.18 C#CCCC1CCCCCC1Br Amb27637578 [0,0,0,1,0,0|1,0,2]=4 230 B12R1.18 C#CCCC1CCCCCC1N Amb27955048 [0,0,0,1,0,0|1,0,2]=4 231 B12R1.18 C#CCCC1CCCCCC1O Amb25764667 [0,0,0,1,0,0|0,0,2]=3 232 B12R1.18 C#CCC[C@@H]1CCCCC[C@H]1O Amb32945566 [0,0,0,1,0,0|0,0,2]=3 233 B12R1.18 C=C1CCCCCC1CCCO Amb27457881 [0,0,0,1,0,0|0,0,0]=1 234 B12R1.18 C=CCCC1CCCCCC1O Amb27480225 [0,0,0,1,0,0|0,0,0]=1 235 B12R1.18 C=CCCN1CCCCCC1C Amb27756864 [0,0,0,1,0,0|2,0,0]=3 236 B12R1.18 C=CCCN1CCCOCC1C Amb27414258 [0,0,0,1,0,0|3,0,0]=4 237 B12R1.18 C=CCCN1CCOCCC1C Amb27809448 [0,0,0,1,0,0|3,0,0]=4 238 B12R1.18 C=CCC[C@@H]1CCCCC[C@H]1O Amb33213933 [0,0,0,1,0,0|0,0,0]=1 239 B12R1.18 C=CCNC1CCCCCC1Cl Amb28256726 [0,0,0,1,0,0|2,0,0]=3 240 B12R1.18 C=CCOC1CCCCCC1O Amb27206059 [0,0,0,1,0,0|1,0,0]=2 241 B12R1.18 C=CCO[C@@H]1CCCCC[C@@H]1O Amb27653264 [0,0,0,1,0,0|1,0,0]=2 242 B12R1.18 C=C\C=C\C1CCCCCC1O Amb27164134 [0,0,0,1,0,0|0,0,2]=3 243 B12R1.18 CC#CCC1CCCCCC1O Amb18798689 [0,0,0,1,0,0|0,0,3]=4 244 B12R1.18 CC#CC[C@@H]1CCCCC[C@H]1O Amb32944847 [0,0,0,1,0,0|0,0,3]=4 245 B12R1.18 CC1CCCCCN1CCC=O Amb27779071 [0,0,0,1,0,0|3,0,0]=4 246 B12R1.18 CC1CCCCCN1CCCO Amb27254073 [0,0,0,1,0,0|1,0,2]=4 247 B12R1.18 CCCCC1CCCCCC1=O Amb18799266 [0,0,0,1,0,0|2,0,0]=3 248 B12R1.18 CCCCC1CCCCCC1Br Amb28365719 [0,0,0,1,0,0|1,0,2]=4 249 B12R1.18 CCCCC1CCCCCC1Cl Amb28187102 [0,0,0,1,0,0|1,0,2]=4 250 B12R1.18 CCCCC1CCCCCC1O Amb18806714 [0,0,0,1,0,0|0,0,2]=3 251 B12R1.18 CCCCC1CCCCNC1=O Amb27770065 [0,0,0,1,0,0|3,0,0]=4 252 B12R1.18 CCCC[C@@H]1CCCCC[C@H]1O Amb26435137 [0,0,0,1,0,0|0,0,2]=3 253 B12R1.18 CCCSC1CCCCCC1O Amb27444903 [0,0,0,1,0,0|1,0,2]=4 254 B12R1.18 CCOCC1CCCCCC1=O Amb27465325 [0,0,0,1,0,0|3,0,0]=4 255 B12R1.18 CCOCC1CCCCCC1O Amb27628602 [0,0,0,1,0,0|1,0,2]=4 256 B12R1.18 CCOC[C@@H]1CCCCC[C@H]1O Amb33212821 [0,0,0,1,0,0|1,0,2]=4 257 B12R1.18 CN1CCCCCC1CCCN Amb18198764 [0,0,0,1,0,0|2,0,1]=4 258 B12R1.18 COCCC1CCCCCC1Br Amb27397473 [0,0,0,1,0,0|2,0,1]=4 259 B12R1.18 COCCC1CCCCCC1O Amb18807461 [0,0,0,1,0,0|1,0,1]=3 260 B12R1.18 CSCCC1CCCCCC1Br Amb27770850 [0,0,0,1,0,0|2,0,1]=4 261 B12R1.18 N#CCCC1CCCCCC1O Amb27587561 [0,0,0,1,0,0|1,0,1]=3 262 B12R1.18 NCCCN1CCCCCC1=O Amb1153735 [0,0,0,1,0,0|3,0,0]=4 263 B12R1.18 NCCCN1CCCCCC1=O Amb28991407 [0,0,0,1,0,0|3,0,0]=4 264 B12R1.18 NCCNC1CCCCCC1O Amb18986525 [0,0,0,1,0,0|2,0,1]=4 265 B12R1.18 NCCSC1CCCCCC1O Amb27482262 [0,0,0,1,0,0|2,0,1]=4 266 B12R1.18 O=C1CCCCCC1CCCO Amb27614789 [0,0,0,1,0,0|1,0,0]=2 267 B12R1.18 O=C1NCCCCC1CCCO Amb27157529 [0,0,0,1,0,0|2,0,0]=3 268 B12R1.18 O=CCCC1CCCCCC1=O Amb28123079 [0,0,0,1,0,0|1,0,2]=4 269 B12R1.18 OC1CCCCCC1NCCF Amb27416509 [0,0,0,1,0,0|2,0,1]=4 270 B12R1.18 OCCCN1CCCCCC1=S Amb27853954 [0,0,0,1,0,0|2,0,0]=3 271 B12R1.18 OCCSC1CCCCCC1O Amb27411662 [0,0,0,1,0,0|2,0,1]=4 272 B12R1.37 BrCCCCOCC1CCCO1 Amb8855456 [0,0,0,1,0,0|2,0,1]=4 273 B12R1.37 CCCCCCCC1CCCN1 Amb3788212 [0,0,0,1,0,0|1,0,2]=4 274 B12R1.37 CCCCCCCC1OCCO1 Amb25368281 [0,0,0,1,0,0|1,0,2]=4 275 B12R1.37 CCCCCNCC1CCCO1 Amb6708057 [0,0,0,1,0,0|1,0,2]=4 276 B12R1.37 CNCCCNCC1CCCO1 Amb18803062 [0,0,0,1,0,0|2,0,1]=4 277 B12R1.37 ClCCCCOCC1CCCO1 Amb19061634 [0,0,0,1,0,0|2,0,1]=4 278 B12R1.37 NCCCCCCC1CCCC1 Amb33380241 [0,0,0,1,0,0|1,0,2]=4 279 B12R1.37 O=CCCCCCC1CCCC1 Amb33380237 [0,0,0,1,0,0|2,0,0]=3 280 B12R1.37 O=CCCCCCN1CCCC1 Amb33274869 [0,0,0,1,0,0|3,0,0]=4 281 B12R1.37 OCCCCCCn1ccnn1 Amb33623453 [0,0,0,1,0,0|3,0,0]=4 282 B12R1.45 NCCCCN1CCCC1CO Amb18789797 [0,0,0,1,0,0|2,0,1]=4 283 B12R1.52 C=CCC1CCCCCCC1O Amb27604455 [0,0,0,1,0,0|0,0,0]=1 284 B12R1.52 C=CC[C@@H]1CCCCCC[C@H]1O Amb27457903 [0,0,0,1,0,0|0,0,0]=1 285 B12R1.52 CCOC1CCCCCCC1O Amb18807444 [0,0,0,1,0,0|1,0,2]=4 286 B12R1.52 N#CCC1CCCCCCC1=O Amb28058875 [0,0,0,1,0,0|2,0,1]=4 287 B12R1.52 N#CCC1CCCCCCC1O Amb27451097 [0,0,0,1,0,0|1,0,1]=3 288 B12R1.52 O=CCC1CCCCCCC1=O Amb27830090 [0,0,0,1,0,0|1,0,2]=4 289 B12R1.52 OC1CCCCCCC1\C=C\Cl Amb28320770 [0,0,0,1,0,0|1,0,1]=3 290 B12R1.52 [N-]=[N+]=NC1CCCCCCC1O Amb28240383 [0,0,0,1,0,0|3,0,0]=4 291 B12R1.73 CN1CCCCCCCC1CN Amb27636671 [0,0,0,1,0,0|2,0,1]=4 292 B12R1.73 CN1CCCCCCCC1CO Amb28368837 [0,0,0,1,0,0|1,0,1]=3 293 B12R1.121 C#CCCC1CCCCC1CN Amb27391001 [0,0,0,1,0,0|1,0,2]=4 294 B12R1.121 C#CCCN1CCCCC1CO Amb18798881 [0,0,0,1,0,0|1,0,2]=4 295 B12R1.121 C=CCSC1CCCCC1C#N Amb27980785 [0,0,0,1,0,0|2,0,1]=4 296 B12R1.121 C=C\C=C\C1CCCCC1CO Amb28138515 [0,0,0,1,0,0|0,0,2]=3 297 B12R1.121 CCC1CCCCC1NCCO Amb19018948 [0,0,0,1,0,0|1,0,2]=4 298 B12R1.121 CCC1CCCCC1OCCO Amb18807445 [0,0,0,1,0,0|1,0,2]=4 299 B12R1.121 CCC1CCCCN1CCCO Amb9246593 [0,0,0,1,0,0|1,0,2]=4 300 B12R1.121 C\C=C\CN1CCCC[C@@H]1CO Amb28184931 [0,0,0,1,0,0|1,0,2]=4 301 B12R1.121 N#CCN[C@@H]1CCCC[C@H]1CO Amb27420739 [0,0,0,1,0,0|2,0,1]=4 302 B12R1.121 N#CCN[C@H]1CCCC[C@@H]1CO Amb27794466 [0,0,0,1,0,0|2,0,1]=4 303 B12R1.121 NCC1CCCCN1CCCO Amb18807518 [0,0,0,1,0,0|2,0,1]=4 304 B12R1.121 NCC1CCCCN1CCCO Amb32662735 [0,0,0,1,0,0|2,0,1]=4 305 B12R1.121 NCCCN1CCCCC1CO Amb4304383 [0,0,0,1,0,0|2,0,1]=4 306 B12R1.121 OC[C@@H]1CCCCN1C\C=C\Cl Amb28204789 [0,0,0,1,0,0|2,0,1]=4 307 B12R1.121 OC[C@H]1CCCCN1C\C=C\Cl Amb27763564 [0,0,0,1,0,0|2,0,1]=4 308 B12R1.121 [C-]#[N+]CCC1CCCCC1CF Amb27791332 [0,0,0,1,0,0|2,0,1]=4 309 B12R1.150 C=C1CCCCCCCCC1O Amb27432139 [0,0,0,1,0,0|0,0,0]=1 310 B12R1.150 C[C@@H]1CCCCCCCNC1=O Amb28047251 [0,0,0,1,0,0|3,0,0]=4 311 B12R1.150 C[C@H]1CCCCCCCNC1=O Amb28059295 [0,0,0,1,0,0|3,0,0]=4 312 B12R1.150 Cl[C@@H]1CCCCCCCC[C@H]1Cl Amb28130442 [0,0,0,1,0,0|2,0,1]=4 313 B12R1.150 NC1CCCCCCCCC1O Amb25152507 [0,0,0,1,0,0|1,0,1]=3 314 B12R1.150 O=C1CCCCCCCCC1=O Amb17594209 [0,0,0,1,0,0|1,0,2]=4 315 B12R1.150 O=C1CCCCCCCCC1Br Amb28244232 [0,0,0,1,0,0|2,0,0]=3 316 B12R1.150 O=C1CCCCCCCCC1Cl Amb27233508 [0,0,0,1,0,0|2,0,0]=3 317 B12R1.150 O=C1CCCCCCCCC1F Amb27828822 [0,0,0,1,0,0|2,0,0]=3 318 B12R1.150 O=C1CCCCCCCCC1O Amb4017052 [0,0,0,1,0,0|1,0,0]=2 319 B12R1.150 O=C1NCCCCCCCC1Br Amb27410410 [0,0,0,1,0,0|3,0,0]=4 320 B12R1.150 OC1CCCCCCCCC1Cl Amb27828119 [0,0,0,1,0,0|1,0,1]=3 321 B12R1.150 OC1CCCCCCCCC1O Amb17594327 [0,0,0,1,0,0|1,0,1]=3 322 B12R1.150 O[C@@H]1CCCCCCCC[C@H]1Cl Amb28132360 [0,0,0,1,0,0|1,0,1]=3 323 B12R1.150 O[C@@H]1CCCCCCCC[C@H]1O Amb28290410 [0,0,0,1,0,0|1,0,1]=3 324 B12R1.169 C=CCC1CCCCC1N=C=S Amb30017038 [0,0,0,1,0,0|1,1,1]=4 325 B12R1.169 C=CCC1CCCCC1NC#N Amb30016958 [0,0,0,1,0,0|2,0,1]=4 326 B12R1.169 C=CCC1CCCCC1NC=O Amb35719495 [0,0,0,1,0,0|1,0,2]=4 327 B12R1.169 COCC1CCCCN1CCO Amb21860248 [0,0,0,1,0,0|2,0,1]=4 328 B12R1.169 N#CCN1CCCCC1CCO Amb6260406 [0,0,0,1,0,0|2,0,1]=4 329 B12R1.169 NCCN1CCCCC1CCO Amb9707555 [0,0,0,1,0,0|2,0,1]=4 330 B12R1.169 OCCC1CCCCN1CCCl Amb19041509 [0,0,0,1,0,0|2,0,1]=4 331 B12R1.169 OCCC1CCCCN1CCO Amb9370192 [0,0,0,1,0,0|2,0,1]=4 332 B12R1.173 NCCC1=CCCCCCC=C1 Amb26398693 [0,0,0,1,0,0|1,0,2]=4 333 B12R1.173 OCCC1=CC=CCCCCC1 Amb27261732 [0,0,0,1,0,0|0,0,2]=3 334 B12R1.173 OCCN1CCCCCCCC1 Amb27980603 [0,0,0,1,0,0|1,0,2]=4 335 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [0,0,0,1,0,0|2,0,0]=3 336 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [0,0,0,1,0,0|2,0,0]=3 337 B12R1.215 O=C1CCCCCOCCCC1 Amb27177976 [0,0,0,1,0,0|3,0,0]=4 338 B12R1.215 O=C1CCNCCCCCCN1 Amb25704380 [0,0,0,1,0,0|3,0,0]=4 339 B12R1.215 OC1CC#CCCCCCCC1 Amb28188285 [0,0,0,1,0,0|0,0,3]=4 340 B12R1.215 O[C@H]1C=C=CCCCCCCC1 Amb27665486 [0,0,0,1,0,0|0,0,2]=3 341 B12R1.267 C#CCCCC1CCCCC1=O Amb27175821 [0,0,0,1,0,0|2,0,1]=4 342 B12R1.267 C#CCCCC1CCCCC1N Amb27416555 [0,0,0,1,0,0|1,0,2]=4 343 B12R1.267 C#CCCCC1CCCCC1O Amb24416932 [0,0,0,1,0,0|0,0,2]=3 344 B12R1.267 C#CCCC[C@@H]1CCCC[C@H]1O Amb26426712 [0,0,0,1,0,0|0,0,2]=3 345 B12R1.267 C#CCCNC1CCCCC1O Amb27756558 [0,0,0,1,0,0|1,0,2]=4 346 B12R1.267 C#CCCN[C@@H]1CCCC[C@H]1O Amb28320629 [0,0,0,1,0,0|1,0,2]=4 347 B12R1.267 C#CCNCC1CCCCC1O Amb27590101 [0,0,0,1,0,0|1,0,2]=4 348 B12R1.267 C=C=CCC[C@H]1CCCC[C@@H]1O Amb27422493 [0,0,0,1,0,0|0,0,2]=3 349 B12R1.267 C=CCCCC1CCCCC1=O Amb17594142 [0,0,0,1,0,0|0,0,2]=3 350 B12R1.267 C=CCCCC1CCCCC1O Amb33213369 [0,0,0,1,0,0|0,0,0]=1 351 B12R1.267 C=CCCC[C@@H]1CCCC[C@H]1O Amb32945331 [0,0,0,1,0,0|0,0,0]=1 352 B12R1.267 CC#CCCC1CCCCC1O Amb26322654 [0,0,0,1,0,0|0,0,3]=4 353 B12R1.267 CC#CCC[C@@H]1CCCC[C@H]1O Amb32945173 [0,0,0,1,0,0|0,0,3]=4 354 B12R1.267 CC1CCCCC1NCCCO Amb4304111 [0,0,0,1,0,0|1,0,2]=4 355 B12R1.267 CCCCCC1CCCCC1=O Amb18788895 [0,0,0,1,0,0|2,0,0]=3 356 B12R1.267 CCCCCC1CCCCC1O Amb18806707 [0,0,0,1,0,0|0,0,2]=3 357 B12R1.267 CCCCC[C@@H]1CCCC[C@H]1O Amb32944228 [0,0,0,1,0,0|0,0,2]=3 358 B12R1.267 CCCOCC1CCCCC1O Amb33213642 [0,0,0,1,0,0|1,0,2]=4 359 B12R1.267 CCCOC[C@@H]1CCCC[C@H]1O Amb32945321 [0,0,0,1,0,0|1,0,2]=4 360 B12R1.267 CN1CCCCC1CCCC=O Amb33322453 [0,0,0,1,0,0|3,0,0]=4 361 B12R1.267 CN1CCCCC1CCCCN Amb33322457 [0,0,0,1,0,0|2,0,1]=4 362 B12R1.267 CN1CCCCC1CNCCO Amb18313081 [0,0,0,1,0,0|2,0,1]=4 363 B12R1.267 CN1CCCCC1COCCO Amb21865692 [0,0,0,1,0,0|2,0,1]=4 364 B12R1.267 COCCCC1CCCCC1O Amb18807460 [0,0,0,1,0,0|1,0,1]=3 365 B12R1.267 COCCC[C@@H]1CCCC[C@H]1O Amb32945788 [0,0,0,1,0,0|1,0,1]=3 366 B12R1.267 COCCOC1CCCCC1O Amb18808358 [0,0,0,1,0,0|2,0,1]=4 367 B12R1.267 C\C=C/COC1CCCCC1O Amb27243878 [0,0,0,1,0,0|1,0,2]=4 368 B12R1.267 C\C=C\COC1CCCCC1O Amb27194839 [0,0,0,1,0,0|1,0,2]=4 369 B12R1.267 N#CCCCC1CCCCC1=O Amb18646376 [0,0,0,1,0,0|2,0,1]=4 370 B12R1.267 N#CCCCN1CCCCC1O Amb27622884 [0,0,0,1,0,0|2,0,1]=4 371 B12R1.267 N#CCCSC1CCCCC1O Amb27416761 [0,0,0,1,0,0|2,0,1]=4 372 B12R1.267 N#CCNCC1CCCCC1O Amb27840408 [0,0,0,1,0,0|2,0,1]=4 373 B12R1.267 N#CCNC[C@@H]1CCCC[C@H]1O Amb28129803 [0,0,0,1,0,0|2,0,1]=4 374 B12R1.267 NCCCCN1CCCCC1=O Amb6751260 [0,0,0,1,0,0|3,0,0]=4 375 B12R1.267 O=C1CCCCC1CNCCBr Amb1146038 [0,0,0,1,0,0|3,0,0]=4 376 B12R1.267 O=C1CCCCC1CNCCBr Amb2602398 [0,0,0,1,0,0|3,0,0]=4 377 B12R1.267 O=C1CCCCC1C\C=C/CO Amb27409618 [0,0,0,1,0,0|1,0,2]=4 378 B12R1.267 O=C1CCCCC1C\C=C\CO Amb25108064 [0,0,0,1,0,0|1,0,2]=4 379 B12R1.267 O=C\C=C\CC1CCCCC1O Amb27859379 [0,0,0,1,0,0|1,0,2]=4 380 B12R1.272 C=CCCCCCOC1CNC1 Amb32941472 [0,0,0,1,0,0|3,0,0]=4 381 B12R1.272 OCCCCCCOC1CNC1 Amb32941440 [0,0,0,1,0,0|2,0,1]=4 382 B12R1.281 C#CCC1CCCCCC1CN Amb27170406 [0,0,0,1,0,0|1,0,2]=4 383 B12R1.281 C=CCC1CCCCCC1NC Amb18799003 [0,0,0,1,0,0|2,0,0]=3 384 B12R1.281 C=CCN1CCCCCC1CBr Amb27468425 [0,0,0,1,0,0|2,0,0]=3 385 B12R1.281 C=CCN1CCCCCC1CO Amb27881501 [0,0,0,1,0,0|1,0,0]=2 386 B12R1.281 CCC1CCCCCC1CCN Amb35733868 [0,0,0,1,0,0|1,0,2]=4 387 B12R1.281 CCC1CCCCCN1CCO Amb27601383 [0,0,0,1,0,0|1,0,2]=4 388 B12R1.281 CCCC1CCCCCC1NC Amb18801600 [0,0,0,1,0,0|2,0,1]=4 389 B12R1.281 CCN1CCCCCC1CCO Amb27187666 [0,0,0,1,0,0|1,0,2]=4 390 B12R1.281 CCNC1CCCCCC1CO Amb27190715 [0,0,0,1,0,0|1,0,2]=4 391 B12R1.281 OCC1CCCCCN1CCBr Amb27881502 [0,0,0,1,0,0|2,0,1]=4 392 B12R1.281 OCCN1CCCCCC1CO Amb27218080 [0,0,0,1,0,0|2,0,1]=4 393 B12R1.329 C=CCCC1=CCCCCCC1 Amb30012337 [0,0,0,1,0,0|1,0,1]=3 394 B12R1.329 C=CCNC1CCCCCCC1 Amb32652162 [0,0,0,1,0,0|2,0,0]=3 395 B12R1.329 C=CCNC1CCCCCCC1 Amb6683796 [0,0,0,1,0,0|2,0,0]=3 396 B12R1.329 CCCNC1C=CCCCCC1 Amb27770740 [0,0,0,1,0,0|2,0,0]=3 397 B12R1.329 CNCCC1CCCCCCC1 Amb18563069 [0,0,0,1,0,0|2,0,1]=4 398 B12R1.329 O=CCCC1C=CCCCCC1 Amb28255663 [0,0,0,1,0,0|0,0,2]=3 399 B12R1.329 OCCCC1CCCCCCN1 Amb18198426 [0,0,0,1,0,0|1,0,1]=3 400 B12R1.329 OCCCN1CCCCCCC1 Amb9246713 [0,0,0,1,0,0|1,0,2]=4 401 B12R1.329 OCCNC1CCCCCCC1 Amb32729413 [0,0,0,1,0,0|1,0,2]=4 402 B12R1.329 OCCNC1CCCCCCC1 Amb6710305 [0,0,0,1,0,0|1,0,2]=4 403 B12R1.329 OCCOC1C#CCCCCC1 Amb27753030 [0,0,0,1,0,0|1,0,2]=4 404 B12R1.372 C=C\C=C\CCC1CCCC1O Amb32945172 [0,0,0,1,0,0|0,0,2]=3 405 B12R1.372 C=C\C=C\CCC1CNCC1O Amb32950152 [0,0,0,1,0,0|1,0,2]=4 406 B12R1.372 C=C\C=C\CCC1COCC1O Amb33213287 [0,0,0,1,0,0|1,0,2]=4 407 B12R1.372 C=C\C=C\CC[C@@H]1CCC[C@H]1O Amb33213497 [0,0,0,1,0,0|0,0,2]=3 408 B12R1.372 C=C\C=C\CC[C@@H]1CNC[C@H]1O Amb32950089 [0,0,0,1,0,0|1,0,2]=4 409 B12R1.372 C=C\C=C\CC[C@@H]1COC[C@H]1O Amb33213313 [0,0,0,1,0,0|1,0,2]=4 410 B12R1.372 CCCCCCC1CCCC1=O Amb621142 [0,0,0,1,0,0|2,0,0]=3 411 B12R1.372 CCCCCCN1CCCC1=O Amb8387412 [0,0,0,1,0,0|3,0,0]=4 412 B12R1.372 CN1CCCC1CCCCC=O Amb33320354 [0,0,0,1,0,0|3,0,0]=4 413 B12R1.372 CN1CCCC1CCCCCN Amb33320356 [0,0,0,1,0,0|2,0,1]=4 414 B12R1.372 COCCCC[C@@H]1CNC[C@H]1O Amb32709342 [0,0,0,1,0,0|2,0,1]=4 415 B12R1.383 CC1CCC1CNCCCCO Amb32421511 [0,0,0,1,0,0|1,0,2]=4 416 B12R1.399 O=CN1CCCCCCC1CO Amb27179762 [0,0,0,1,0,0|2,0,0]=3 417 B12R1.399 OCC1CCCCCCC1CO Amb27472666 [0,0,0,1,0,0|1,0,1]=3 418 B12R1.410 CCC1CCCCCCCCC1 Amb6359494 [0,0,0,1,0,0|1,0,2]=4 419 B12R1.410 CNC1CCCCCCCCC1 Amb13883575 [0,0,0,1,0,0|2,0,1]=4 420 B12R1.410 OCC1CCCCCCCCC1 Amb28189439 [0,0,0,1,0,0|0,0,2]=3 421 B12R1.410 OCC1CCCCNCCCC1 Amb27259380 [0,0,0,1,0,0|1,0,2]=4 422 B12R1.550 C1=CCCCCCCCCCC1 Amb534273 [0,0,0,1,0,0|1,0,0]=2 423 B12R1.550 C1=CCCCCCCCCCC1 Amb9787102 [0,0,0,1,0,0|1,0,0]=2 424 B12R1.1414 C=CCCNC1=NCCCCC1 Amb28201248 [0,0,0,1,0,0|2,0,1]=4 425 B12R1.1414 NCCCCC1CCCCCC1 Amb33079329 [0,0,0,1,0,0|1,0,2]=4 426 B12R1.1414 O=CCCCC1CCCCCC1 Amb32880555 [0,0,0,1,0,0|2,0,0]=3 427 B12R1.1414 OCCCCN1CCCCCC1 Amb3204766 [0,0,0,1,0,0|1,0,2]=4 428 B12R1.1414 OCCCNC1CCCCCC1 Amb35752311 [0,0,0,1,0,0|1,0,2]=4 429 B12R1.1414 OCCCNC1CCCCCC1 Amb6733580 [0,0,0,1,0,0|1,0,2]=4 430 B9R0.45 BrCCCCCCCCBr Amb2725461 [2,0,0,0,0,0|2,0,0]=4 431 B9R0.45 C#CCCCCCCC=C Amb27268975 [2,0,0,0,0,0|0,0,2]=4 432 B9R0.45 C#CCCCCCCCC Amb2721541 [2,0,0,0,0,0|0,0,2]=4 433 B9R0.45 C#CCCCCCCCO Amb10563785 [2,0,0,0,0,0|0,0,2]=4 434 B9R0.45 C=C=CCCCCCCO Amb28050724 [2,0,0,0,0,0|0,0,2]=4 435 B9R0.45 C=CCC#CCCCCO Amb28121719 [2,0,0,0,0,0|0,0,2]=4 436 B9R0.45 C=CCCCCC#CCO Amb27972321 [2,0,0,0,0,0|0,0,2]=4 437 B9R0.45 C=CCCCCCCC#N Amb6298893 [2,0,0,0,0,0|1,0,1]=4 438 B9R0.45 C=CCCCCCCC=C Amb2721547 [2,0,0,0,0,0|0,0,2]=4 439 B9R0.45 C=CCCCCCCC=O Amb28193259 [2,0,0,0,0,0|0,0,2]=4 440 B9R0.45 C=CCCCCCCCBr Amb19895211 [2,0,0,0,0,0|1,0,0]=3 441 B9R0.45 C=CCCCCCCCC Amb3940503 [2,0,0,0,0,0|0,0,0]=2 442 B9R0.45 C=CCCCCCCCCl Amb6298880 [2,0,0,0,0,0|1,0,0]=3 443 B9R0.45 C=CCCCCCCCN Amb24763980 [2,0,0,0,0,0|1,0,0]=3 444 B9R0.45 C=CCCCCCCCN Amb32653343 [2,0,0,0,0,0|1,0,0]=3 445 B9R0.45 C=CCCCCCCCO Amb22733549 [2,0,0,0,0,0|0,0,0]=2 446 B9R0.45 C=CCCCCCCNC Amb28120535 [2,0,0,0,0,0|1,0,0]=3 447 B9R0.45 C=CCCCCCSCC Amb27396740 [2,0,0,0,0,0|1,0,0]=3 448 B9R0.45 C=CCCCCNCCC Amb26576689 [2,0,0,0,0,0|1,0,0]=3 449 B9R0.45 C=CCCCC\C=C\CO Amb8389620 [2,0,0,0,0,0|0,0,2]=4 450 B9R0.45 C=CCCCNCCCC Amb27799206 [2,0,0,0,0,0|1,0,0]=3 451 B9R0.45 C=CCCCNCCNC Amb27466769 [2,0,0,0,0,0|2,0,0]=4 452 B9R0.45 C=CCCCSCCOC Amb27424920 [2,0,0,0,0,0|2,0,0]=4 453 B9R0.45 C=CCCC\C=C\CCO Amb27835106 [2,0,0,0,0,0|0,0,2]=4 454 B9R0.45 C=CCCNCCCCC Amb27838999 [2,0,0,0,0,0|1,0,0]=3 455 B9R0.45 C=CCCNCCCCO Amb28141464 [2,0,0,0,0,0|1,0,0]=3 456 B9R0.45 C=CCCNCCCOC Amb28126721 [2,0,0,0,0,0|2,0,0]=4 457 B9R0.45 C=CCCNCCCSC Amb27838985 [2,0,0,0,0,0|2,0,0]=4 458 B9R0.45 C=CCCNCCOCC Amb28126723 [2,0,0,0,0,0|2,0,0]=4 459 B9R0.45 C=CCCOCCCNC Amb27768715 [2,0,0,0,0,0|2,0,0]=4 460 B9R0.45 C=CCCSCCCOC Amb28280277 [2,0,0,0,0,0|2,0,0]=4 461 B9R0.45 C=CCCSCCSCC Amb27197363 [2,0,0,0,0,0|2,0,0]=4 462 B9R0.45 C=CCC\C=C\CCCO Amb27485402 [2,0,0,0,0,0|0,0,2]=4 463 B9R0.45 C=CCNCCCCCC Amb7756950 [2,0,0,0,0,0|1,0,0]=3 464 B9R0.45 C=CCNCCCCCF Amb27219940 [2,0,0,0,0,0|2,0,0]=4 465 B9R0.45 C=CCNCCCCNC Amb27251520 [2,0,0,0,0,0|2,0,0]=4 466 B9R0.45 C=CCOCCCCCC Amb17933923 [2,0,0,0,0,0|1,0,0]=3 467 B9R0.45 C=CCOCCCSCC Amb28187852 [2,0,0,0,0,0|2,0,0]=4 468 B9R0.45 C=CCOCCNCCC Amb27866133 [2,0,0,0,0,0|2,0,0]=4 469 B9R0.45 C=CCOCCNCCO Amb28321523 [2,0,0,0,0,0|2,0,0]=4 470 B9R0.45 C=CCOCCOCCO Amb17933929 [2,0,0,0,0,0|2,0,0]=4 471 B9R0.45 C=CCSCCCCCBr Amb27985767 [2,0,0,0,0,0|2,0,0]=4 472 B9R0.45 C=CCSCCCCCC Amb22733767 [2,0,0,0,0,0|1,0,0]=3 473 B9R0.45 C=CCSCCCCCF Amb28315981 [2,0,0,0,0,0|2,0,0]=4 474 B9R0.45 C=CCSCCCCCN Amb28435037 [2,0,0,0,0,0|2,0,0]=4 475 B9R0.45 C=CCSCCCCCS Amb27828255 [2,0,0,0,0,0|1,1,0]=4 476 B9R0.45 C=CCSCCCCNC Amb28397579 [2,0,0,0,0,0|2,0,0]=4 477 B9R0.45 C=CCSCCCCOC Amb27599202 [2,0,0,0,0,0|2,0,0]=4 478 B9R0.45 C=CCSCCOCCO Amb27595240 [2,0,0,0,0,0|2,0,0]=4 479 B9R0.45 C=CC\C=C/CCCCC Amb27423727 [2,0,0,0,0,0|0,0,2]=4 480 B9R0.45 C=CC\C=C\CCCCC Amb27629643 [2,0,0,0,0,0|0,0,2]=4 481 B9R0.45 C=CC\C=C\CCCCO Amb28050717 [2,0,0,0,0,0|0,0,2]=4 482 B9R0.45 C=COCCCCCCO Amb26931083 [2,0,0,0,0,0|1,0,0]=3 483 B9R0.45 C=COCCNCCCC Amb28364273 [2,0,0,0,0,0|2,0,0]=4 484 B9R0.45 C=C\C=C/CCCCCC Amb22641680 [2,0,0,0,0,0|0,0,2]=4 485 B9R0.45 C=C\C=C\CCCCCO Amb27242542 [2,0,0,0,0,0|0,0,2]=4 486 B9R0.45 CC#CCCCCCCO Amb27478697 [2,0,0,0,0,0|0,0,2]=4 487 B9R0.45 CCC#CCCCCCO Amb28050678 [2,0,0,0,0,0|0,0,2]=4 488 B9R0.45 CCCCCC#CCCO Amb2721746 [2,0,0,0,0,0|0,0,2]=4 489 B9R0.45 CCCCCCC#CCO Amb2721748 [2,0,0,0,0,0|0,0,2]=4 490 B9R0.45 CCCCCCCCC#N Amb7764626 [2,0,0,0,0,0|1,0,1]=4 491 B9R0.45 CCCCCCCCCBr Amb3940224 [2,0,0,0,0,0|1,0,0]=3 492 B9R0.45 CCCCCCCCCC Amb7757835 [2,0,0,0,0,0|0,0,1]=3 493 B9R0.45 CCCCCCCCCCl Amb6652537 [2,0,0,0,0,0|1,0,0]=3 494 B9R0.45 CCCCCCCCCF Amb8515361 [2,0,0,0,0,0|1,0,0]=3 495 B9R0.45 CCCCCCCCCI Amb3940284 [2,0,0,0,0,0|1,0,0]=3 496 B9R0.45 CCCCCCCCCN Amb3987584 [2,0,0,0,0,0|1,0,0]=3 497 B9R0.45 CCCCCCCCCO Amb3940342 [2,0,0,0,0,0|0,0,0]=2 498 B9R0.45 CCCCCCCCC[Mg+] Amb22351330 [2,0,0,0,0,0|1,0,0]=3 499 B9R0.45 CCCCCCCCNC Amb7757640 [2,0,0,0,0,0|1,0,1]=4 500 B9R0.45 CCCCCCCCNN Amb7786451 [2,0,0,0,0,0|2,0,0]=4 501 B9R0.45 CCCCCCCCNO Amb28069968 [2,0,0,0,0,0|1,0,0]=3 502 B9R0.45 CCCCCCCCON Amb2818885 [2,0,0,0,0,0|2,0,0]=4 503 B9R0.45 CCCCCCCCSC Amb10553780 [2,0,0,0,0,0|1,0,1]=4 504 B9R0.45 CCCCCCCNC=O Amb27170738 [2,0,0,0,0,0|2,0,0]=4 505 B9R0.45 CCCCCCCOC=O Amb9787223 [2,0,0,0,0,0|2,0,0]=4 506 B9R0.45 CCCCCCCOCC Amb26332517 [2,0,0,0,0,0|1,0,1]=4 507 B9R0.45 CCCCCCNCCC Amb6730565 [2,0,0,0,0,0|1,0,1]=4 508 B9R0.45 CCCCCCNCCCl Amb27175028 [2,0,0,0,0,0|2,0,0]=4 509 B9R0.45 CCCCCCNCCN Amb33611669 [2,0,0,0,0,0|2,0,0]=4 510 B9R0.45 CCCCCCNCCN Amb9786764 [2,0,0,0,0,0|2,0,0]=4 511 B9R0.45 CCCCCCNCCO Amb2720857 [2,0,0,0,0,0|1,0,0]=3 512 B9R0.45 CCCCCCOCC=O Amb26624223 [2,0,0,0,0,0|2,0,0]=4 513 B9R0.45 CCCCCCOCCC Amb27838831 [2,0,0,0,0,0|1,0,1]=4 514 B9R0.45 CCCCCCOCCCl Amb8828502 [2,0,0,0,0,0|2,0,0]=4 515 B9R0.45 CCCCCCOCCO Amb9787183 [2,0,0,0,0,0|1,0,0]=3 516 B9R0.45 CCCCCCPCCN Amb28121064 [2,0,0,0,0,0|2,0,0]=4 517 B9R0.45 CCCCCCSCCCl Amb22228746 [2,0,0,0,0,0|2,0,0]=4 518 B9R0.45 CCCCCCSCCN Amb7794935 [2,0,0,0,0,0|2,0,0]=4 519 B9R0.45 CCCCCC\C=C/CO Amb10807383 [2,0,0,0,0,0|0,0,2]=4 520 B9R0.45 CCCCCC\C=C\CO Amb22168300 [2,0,0,0,0,0|0,0,2]=4 521 B9R0.45 CCCCCNCCCBr Amb27171159 [2,0,0,0,0,0|2,0,0]=4 522 B9R0.45 CCCCCNCCCC Amb6688183 [2,0,0,0,0,0|1,0,1]=4 523 B9R0.45 CCCCCNCCCF Amb27757655 [2,0,0,0,0,0|2,0,0]=4 524 B9R0.45 CCCCCNCCCN Amb17315271 [2,0,0,0,0,0|2,0,0]=4 525 B9R0.45 CCCCCNCCCO Amb6733807 [2,0,0,0,0,0|1,0,0]=3 526 B9R0.45 CCCCCOCCC=O Amb27628424 [2,0,0,0,0,0|2,0,0]=4 527 B9R0.45 CCCCCSCCCF Amb28204722 [2,0,0,0,0,0|2,0,0]=4 528 B9R0.45 CCCCCSCCCN Amb17500694 [2,0,0,0,0,0|2,0,0]=4 529 B9R0.45 CCCCCSCCCO Amb17502837 [2,0,0,0,0,0|1,0,0]=3 530 B9R0.45 CCCCC\C=C/CCO Amb9825885 [2,0,0,0,0,0|0,0,2]=4 531 B9R0.45 CCCCC\C=C\CCO Amb27953070 [2,0,0,0,0,0|0,0,2]=4 532 B9R0.45 CCCCNCCCCBr Amb27403712 [2,0,0,0,0,0|2,0,0]=4 533 B9R0.45 CCCCOCCCCBr Amb8895240 [2,0,0,0,0,0|2,0,0]=4 534 B9R0.45 CCCCOCCCCCl Amb18798377 [2,0,0,0,0,0|2,0,0]=4 535 B9R0.45 CCCCOCCCCO Amb19375051 [2,0,0,0,0,0|1,0,0]=3 536 B9R0.45 CCCCSCCCCN Amb9480126 [2,0,0,0,0,0|2,0,0]=4 537 B9R0.45 CCCCSCCCCS Amb28206440 [2,0,0,0,0,0|1,1,0]=4 538 B9R0.45 CCCNCCCCCBr Amb27614955 [2,0,0,0,0,0|2,0,0]=4 539 B9R0.45 CCCNCCCCCO Amb17334254 [2,0,0,0,0,0|1,0,0]=3 540 B9R0.45 CCCNCCNCCO Amb24644910 [2,0,0,0,0,0|2,0,0]=4 541 B9R0.45 CCCNCCOCCO Amb6736235 [2,0,0,0,0,0|2,0,0]=4 542 B9R0.45 CCCOCCCCCBr Amb27494337 [2,0,0,0,0,0|2,0,0]=4 543 B9R0.45 CCCOCCCCCN Amb27869443 [2,0,0,0,0,0|2,0,0]=4 544 B9R0.45 CCCOCCOCCO Amb22351569 [2,0,0,0,0,0|2,0,0]=4 545 B9R0.45 CCCSCCCCCBr Amb27603024 [2,0,0,0,0,0|2,0,0]=4 546 B9R0.45 CCCSCCCCCCl Amb9304986 [2,0,0,0,0,0|2,0,0]=4 547 B9R0.45 CCCSCCCCCS Amb27431515 [2,0,0,0,0,0|1,1,0]=4 548 B9R0.45 CCCSCCNCCO Amb27618844 [2,0,0,0,0,0|2,0,0]=4 549 B9R0.45 CCCSCCSCCO Amb27433297 [2,0,0,0,0,0|2,0,0]=4 550 B9R0.45 CCNCCCCCCN Amb25855319 [2,0,0,0,0,0|2,0,0]=4 551 B9R0.45 CCNCCCNCCO Amb27770477 [2,0,0,0,0,0|2,0,0]=4 552 B9R0.45 CCOCCCCCCS Amb27834959 [2,0,0,0,0,0|1,1,0]=4 553 B9R0.45 CCOCCSCCCO Amb27830336 [2,0,0,0,0,0|2,0,0]=4 554 B9R0.45 CCONCCCCCO Amb28245082 [2,0,0,0,0,0|2,0,0]=4 555 B9R0.45 CCSCCCCCCCl Amb18186755 [2,0,0,0,0,0|2,0,0]=4 556 B9R0.45 CCSCCNCCCO Amb27797112 [2,0,0,0,0,0|2,0,0]=4 557 B9R0.45 CCSCCSCCCO Amb27489348 [2,0,0,0,0,0|2,0,0]=4 558 B9R0.45 CC\N=N\CCCCCO Amb27631929 [2,0,0,0,0,0|2,0,0]=4 559 B9R0.45 CNCCCCNCCO Amb27630866 [2,0,0,0,0,0|2,0,0]=4 560 B9R0.45 CNCCSCCCCO Amb28193864 [2,0,0,0,0,0|2,0,0]=4 561 B9R0.45 COCCCCCCCCl Amb28066514 [2,0,0,0,0,0|2,0,0]=4 562 B9R0.45 COCCCCNCCO Amb28368980 [2,0,0,0,0,0|2,0,0]=4 563 B9R0.45 COCCCNCCCO Amb17308606 [2,0,0,0,0,0|2,0,0]=4 564 B9R0.45 COCCCOCCCO Amb20242414 [2,0,0,0,0,0|2,0,0]=4 565 B9R0.45 COCOCCCCCO Amb27839456 [2,0,0,0,0,0|2,0,0]=4 566 B9R0.45 CONCCCCCCO Amb27952629 [2,0,0,0,0,0|2,0,0]=4 567 B9R0.45 CSCCCCCCCN Amb27860341 [2,0,0,0,0,0|2,0,0]=4 568 B9R0.45 CSCCCSCCCO Amb28132547 [2,0,0,0,0,0|2,0,0]=4 569 B9R0.45 C\C=C/CCCCCCC Amb26019969 [2,0,0,0,0,0|0,0,2]=4 570 B9R0.45 C\C=C\CCCCCCO Amb27980554 [2,0,0,0,0,0|0,0,2]=4 571 B9R0.45 ClCCCCCCCCCl Amb2721447 [2,0,0,0,0,0|2,0,0]=4 572 B9R0.45 FCCCCCCCCBr Amb27265588 [2,0,0,0,0,0|2,0,0]=4 573 B9R0.45 FCCCCCCCCCl Amb28067739 [2,0,0,0,0,0|2,0,0]=4 574 B9R0.45 FCCCCCCCCF Amb22641491 [2,0,0,0,0,0|2,0,0]=4 575 B9R0.45 NCCCCCCCCN Amb8387247 [2,0,0,0,0,0|2,0,0]=4 576 B9R0.45 NCCCCCCCCO Amb24116967 [2,0,0,0,0,0|1,0,0]=3 577 B9R0.45 NCCCCCNCCO Amb8394909 [2,0,0,0,0,0|2,0,0]=4 578 B9R0.45 NCCCCNCCCO Amb27473423 [2,0,0,0,0,0|2,0,0]=4 579 B9R0.45 NCCCCSCCCO Amb17500966 [2,0,0,0,0,0|2,0,0]=4 580 B9R0.45 NCCCOCCCCO Amb28454517 [2,0,0,0,0,0|2,0,0]=4 581 B9R0.45 O=CCCCCCCCF Amb25075653 [2,0,0,0,0,0|2,0,0]=4 582 B9R0.45 O=CCCCCCCCO Amb25765567 [2,0,0,0,0,0|1,0,0]=3 583 B9R0.45 OCCCCCCCCBr Amb4296902 [2,0,0,0,0,0|1,0,0]=3 584 B9R0.45 OCCCCCCCCCl Amb6366711 [2,0,0,0,0,0|1,0,0]=3 585 B9R0.45 OCCCCCCCCF Amb25330666 [2,0,0,0,0,0|1,0,0]=3 586 B9R0.45 OCCCCCCCCI Amb32411246 [2,0,0,0,0,0|1,0,0]=3 587 B9R0.45 OCCCCCCCCO Amb8383419 [2,0,0,0,0,0|1,0,0]=3 588 B9R0.45 OCCCCCCCCS Amb28046913 [2,0,0,0,0,0|1,0,0]=3 589 B9R0.45 OCCCCCOCCCl Amb28321747 [2,0,0,0,0,0|2,0,0]=4 590 B9R0.45 OCCCCCOCCO Amb27847385 [2,0,0,0,0,0|2,0,0]=4 591 B9R0.45 OCCCCCSCCO Amb18800854 [2,0,0,0,0,0|2,0,0]=4 592 B9R0.45 OCCCCOCCCO Amb27218138 [2,0,0,0,0,0|2,0,0]=4 593 B9R0.45 OCCCNCCCCF Amb27752581 [2,0,0,0,0,0|2,0,0]=4 594 B9R0.45 OCCCSCCCCF Amb28204584 [2,0,0,0,0,0|2,0,0]=4 595 B9R0.45 OCCCSCCCCS Amb27452872 [2,0,0,0,0,0|2,0,0]=4 596 B9R0.45 OCCNCCCCCF Amb27805496 [2,0,0,0,0,0|2,0,0]=4 597 B9R0.45 [NH3+]CCCCCCCC[NH3+] Amb16234024 [2,0,0,0,0,0|2,0,0]=4 598 B11R0.4 C=CCCCCCC(=O)OCC Amb6298912 [1,1,0,0,0,0|1,0,1]=4 599 B11R0.4 C=COC(=O)CCCCCCC Amb17672562 [1,1,0,0,0,0|1,0,1]=4 600 B11R0.4 CCCCCCCC(O)CCC Amb18803156 [1,1,0,0,0,0|0,0,2]=4 601 B11R0.4 CCCCCCCC(O)CCN Amb32693374 [1,1,0,0,0,0|1,0,1]=4 602 B11R0.40 C=CC(=O)OCCCCCCO Amb31188276 [1,1,0,0,0,0|1,0,1]=4 603 B11R0.40 C=CS(=O)CCCCCCCC Amb1032994 [1,1,0,0,0,0|1,0,0]=3 604 B11R0.40 CCCCCCCCC(Br)CBr Amb9787331 [1,1,0,0,0,0|1,0,1]=4 605 B11R0.40 CCCCCCCCC(C)CBr Amb32688274 [1,1,0,0,0,0|1,0,1]=4 606 B11R0.40 CCCCCCCCC(C)CCl Amb32688273 [1,1,0,0,0,0|1,0,1]=4 607 B11R0.40 CCCCCCCCC(N)CO Amb22536244 [1,1,0,0,0,0|0,0,1]=3 608 B11R0.40 CCCCCCCCC(O)CO Amb8517521 [1,1,0,0,0,0|0,0,1]=3 609 B11R0.81 C=CCOC(=O)CCCCCC Amb8514890 [1,1,0,0,0,0|1,0,1]=4 610 B11R0.140 C=CCCCN(C)CCCCN Amb33033519 [1,1,0,0,0,0|2,0,0]=4 611 B11R0.140 C=CCCCN(C)CCCNC Amb33033507 [1,1,0,0,0,0|2,0,0]=4 612 B11R0.140 C=CCCCN(C)CCNCC Amb33033514 [1,1,0,0,0,0|2,0,0]=4 613 B11R0.140 CCCCCC(N)CCCCC Amb9620841 [1,1,0,0,0,0|0,0,2]=4 614 B11R0.140 CCCCCC(S)CCCCC Amb32788302 [1,1,0,0,0,0|0,0,2]=4 615 B11R0.140 NCCCCC(F)CCCCN Amb33620813 [1,1,0,0,0,0|2,0,0]=4 616 B11R0.148 C=C(Br)CCCCCCCCC Amb6298936 [1,1,0,0,0,0|0,0,0]=2 617 B11R0.148 C=C(C)CCCCCCCC#N Amb6298909 [1,1,0,0,0,0|1,0,1]=4 618 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [1,1,0,0,0,0|0,0,0]=2 619 B11R0.148 C=C(Cl)CCCCCCCCC Amb6298930 [1,1,0,0,0,0|0,0,0]=2 620 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [1,1,0,0,0,0|0,0,1]=3 621 B11R0.148 C=CCCOCCCCC(=O)O Amb33531508 [1,1,0,0,0,0|1,0,1]=4 622 B11R0.148 CC(C)CCNCCCCCO Amb17334954 [1,1,0,0,0,0|1,0,1]=4 623 B11R0.148 CC(O)CCCCCCCCO Amb33331053 [1,1,0,0,0,0|0,0,1]=3 624 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [1,1,0,0,0,0|1,0,0]=3 625 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [1,1,0,0,0,0|1,0,0]=3 626 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [1,1,0,0,0,0|0,0,1]=3 627 B11R0.148 CCCCCCCCCC(C)C Amb22043228 [1,1,0,0,0,0|0,0,2]=4 628 B11R0.148 CCCCCCCCCC(C)N Amb6366423 [1,1,0,0,0,0|0,0,2]=4 629 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [1,1,0,0,0,0|1,0,0]=3 630 B11R0.148 CCCCCCCCCC(N)=S Amb7794719 [1,1,0,0,0,0|1,0,0]=3 631 B11R0.148 CCCCCCCCCS(=O)Cl Amb32720537 [1,1,0,0,0,0|2,0,0]=4 632 B11R0.148 CCCCCCCCCS(=O)[O-] Amb32755589 [1,1,0,0,0,0|2,0,0]=4 633 B11R0.148 CCCCCCCCCS(N)=O Amb32720538 [1,1,0,0,0,0|2,0,0]=4 634 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [1,1,0,0,0,0|1,0,1]=4 635 B11R0.148 CCCCCCCCNC(N)=S Amb1152183 [1,1,0,0,0,0|2,0,0]=4 636 B11R0.148 CCCCCCCCOC(=O)Cl Amb8515453 [1,1,0,0,0,0|2,0,0]=4 637 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [1,1,0,0,0,0|1,0,1]=4 638 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [1,1,0,0,0,0|2,0,0]=4 639 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [1,1,0,0,0,0|2,0,0]=4 640 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [1,1,0,0,0,0|2,0,0]=4 641 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,1,0,0,0,0|2,0,0]=4 642 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [1,1,0,0,0,0|1,0,1]=4 643 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [1,1,0,0,0,0|1,0,0]=3 644 B13R0.2 C=CCCCCCCCC(=O)OCC Amb30666619 [0,2,0,0,0,0|1,0,1]=4 645 B13R0.2 C=COC(=O)CCCCCCCCC Amb17672564 [0,2,0,0,0,0|1,0,1]=4 646 B13R0.2 CCCCCCCCCC(C)CC=O Amb33421993 [0,2,0,0,0,0|1,0,1]=4 647 B13R0.2 CCCCCCCCCC(C)CCO Amb33321507 [0,2,0,0,0,0|0,0,2]=4 648 B13R0.2 CCCCCCCCCC(O)CCO Amb24081769 [0,2,0,0,0,0|0,0,2]=4 649 B13R0.335 CCCCCCCCC(C)CC(=O)O Amb28653289 [0,2,0,0,0,0|2,0,0]=4 650 B13R0.340 CCCCCCCCC(F)[C@@H](O)CO Amb24122594 [0,2,0,0,0,0|0,0,2]=4 651 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [0,2,0,0,0,0|0,0,0]=2 652 B13R0.54 C=CCCCCCCCCOC(C)=O Amb10563791 [0,2,0,0,0,0|0,0,2]=4 653 B13R0.54 CC(C)CCCCCCCCCCO Amb22055767 [0,2,0,0,0,0|0,0,2]=4 654 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [0,2,0,0,0,0|1,0,1]=4 655 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [0,2,0,0,0,0|0,0,2]=4 656 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [0,2,0,0,0,0|1,0,1]=4 657 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [0,2,0,0,0,0|1,0,1]=4 658 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [0,2,0,0,0,0|1,0,1]=4 659 B13R0.54 CCCCCCCCCCCC(N)=S Amb13953232 [0,2,0,0,0,0|1,0,1]=4 660 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,2,0,0,0,0|2,0,0]=4 661 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [0,2,0,0,0,0|1,0,1]=4 662 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [0,2,0,0,0,0|1,0,1]=4 663 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,2,0,0,0,0|2,0,0]=4 664 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [0,2,0,0,0,0|2,0,0]=4 665 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,2,0,0,0,0|2,0,0]=4 666 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [0,2,0,0,0,0|1,0,1]=4 667 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,2,0,0,0,0|1,0,1]=4 668 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [0,2,0,0,0,0|1,0,1]=4 669 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [0,2,0,0,0,0|1,0,1]=4 670 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [0,2,0,0,0,0|1,0,1]=4 671 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [0,2,0,0,0,0|0,0,1]=3 672 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [0,2,0,0,0,0|0,1,1]=4 673 B13R0.147 C=CC(=O)OCCCCCCCCC Amb20670989 [0,2,0,0,0,0|1,0,1]=4 674 B13R0.147 C=CCCCCCCCCC(=O)NN Amb6393023 [0,2,0,0,0,0|0,0,2]=4 675 B13R0.147 C=CCCCCCCCCC(=O)OC Amb612439 [0,2,0,0,0,0|0,0,1]=3 676 B13R0.147 CCCCCCCCCCC(=O)NN Amb534278 [0,2,0,0,0,0|2,0,0]=4 677 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,2,0,0,0,0|1,0,1]=4 678 B13R0.147 CCCCCCCCCCC(C)C=O Amb32671323 [0,2,0,0,0,0|1,0,1]=4 679 B13R0.147 CCCCCCCCCCC(C)CO Amb30988002 [0,2,0,0,0,0|0,0,2]=4 680 B13R0.147 CCCCCCCCCCC(O)CO Amb22002456 [0,2,0,0,0,0|0,0,2]=4 681 B13R0.147 CCCCCCCCOCC(O)CO Amb4458899 [0,2,0,0,0,0|0,0,2]=4 682 B13R0.147 COC(=O)CCCCCCCCC=O Amb9787740 [0,2,0,0,0,0|1,0,1]=4 683 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [0,2,0,0,0,0|1,0,1]=4 684 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [0,2,0,0,0,0|1,0,1]=4 685 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [0,2,0,0,0,0|1,0,1]=4 686 B13R0.336 C=CCOCCOCCOCCOC Amb33719394 [0,2,0,0,0,0|2,0,0]=4 687 B13R0.336 C=CCSCCCCCCCCCC Amb9787753 [0,2,0,0,0,0|1,0,0]=3 688 B13R0.336 CCCCCCCCCCCCCO Amb2748034 [0,2,0,0,0,0|0,0,2]=4 689 B13R0.336 CCCCCCCCCCCCON Amb24117984 [0,2,0,0,0,0|0,0,2]=4 690 B13R0.336 CCCCCCCCCCNCCO Amb9787053 [0,2,0,0,0,0|0,0,2]=4 691 B13R0.336 CCCCCCCCCCSCCO Amb1032989 [0,2,0,0,0,0|0,0,2]=4 692 B13R0.336 CCCCCCCCCC\C=C\C#N Amb6600578 [0,2,0,0,0,0|1,0,0]=3 693 B13R0.336 CCCCCCCCCNCCOC Amb7794404 [0,2,0,0,0,0|0,0,2]=4 694 B13R0.336 CNCCCCCCCCCCCO Amb32653434 [0,2,0,0,0,0|0,0,2]=4 695 B13R0.336 NCCCCCCCCCCCCO Amb17608041 [0,2,0,0,0,0|0,0,2]=4 696 B13R0.336 O=CCCCCCCCCCCC=O Amb33456151 [0,2,0,0,0,0|0,0,2]=4 697 B13R0.336 OCCCCCCCCCCCCBr Amb2694964 [0,2,0,0,0,0|0,0,2]=4 698 B13R0.336 OCCCCCCCCCCCCO Amb9787352 [0,2,0,0,0,0|0,0,2]=4 699 B13R0.336 OCCCCCOCCCCCCCl Amb33719428 [0,2,0,0,0,0|0,0,2]=4 700 B13R0.336 OCCOCCOCCCCCCCl Amb33719425 [0,2,0,0,0,0|1,0,1]=4 701 B13R0.336 [N-]=[N+]=NCCCCCCCCCCO Amb17608636 [0,2,0,0,0,0|1,0,1]=4 702 B13R0.338 CCCCCCCC(C)NCCCO Amb7795535 [0,2,0,0,0,0|0,0,2]=4 703 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] Amb19148937 [0,2,0,0,0,0|2,0,0]=4 704 B13R0.150 CCCCCCCCCC(C)C(=O)O Amb18320092 [0,2,0,0,0,0|2,0,0]=4 705 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O Amb34139108 [0,2,0,0,0,0|2,0,0]=4 706 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O Amb34152043 [0,2,0,0,0,0|2,0,0]=4 707 B13R0.179 CC(Br)CCCCCCCCC(=O)O Amb8487858 [0,2,0,0,0,0|2,0,0]=4 708 B13R0.179 O=C(O)CCCCCCCCC(=O)O Amb4037061 [0,2,0,0,0,0|1,0,1]=4 709 B13R0.202 O=C(O)CCCCCCCC(F)CBr Amb22547613 [0,2,0,0,0,0|2,0,0]=4 710 B13R0.280 CCCCCCCCCCC(C)(C)O Amb33330860 [0,2,0,0,0,0|0,0,2]=4 711 B11R1.4 BrCCCCCC1CCCC1 Amb33005083 [1,0,0,1,0,0|1,0,1]=4 712 B11R1.4 BrCCCCCC1CCCO1 Amb32688248 [1,0,0,1,0,0|1,0,0]=3 713 B11R1.4 BrCCCCCC1OCCO1 Amb25893567 [1,0,0,1,0,0|2,0,0]=4 714 B11R1.4 BrCCCOCC1CCCO1 Amb8828217 [1,0,0,1,0,0|2,0,0]=4 715 B11R1.4 C#CCCCCC1CCCC1 Amb33380242 [1,0,0,1,0,0|0,0,2]=4 716 B11R1.4 CCCCCCC1CCCN1 Amb2235790 [1,0,0,1,0,0|1,0,1]=4 717 B11R1.4 CCCCCCC1CCCO1 Amb10558596 [1,0,0,1,0,0|0,0,1]=3 718 B11R1.4 CCCCNCC1CCCO1 Amb4313709 [1,0,0,1,0,0|1,0,1]=4 719 B11R1.4 CNCCCCC1CCCC1 Amb33448409 [1,0,0,1,0,0|1,0,1]=4 720 B11R1.4 ClCCCCCC1CCCO1 Amb32688218 [1,0,0,1,0,0|1,0,0]=3 721 B11R1.4 ClCCCCCC1OCCO1 Amb27853587 [1,0,0,1,0,0|2,0,0]=4 722 B11R1.4 ClCCCNCC1CCCO1 Amb20414361 [1,0,0,1,0,0|2,0,0]=4 723 B11R1.4 N#CCCCCC1CCCC1 Amb33374908 [1,0,0,1,0,0|1,0,1]=4 724 B11R1.4 NCCCCCC1CCCC1 Amb18200303 [1,0,0,1,0,0|1,0,1]=4 725 B11R1.4 NCCCNCC1CCCO1 Amb17315282 [1,0,0,1,0,0|2,0,0]=4 726 B11R1.4 NCCCOCC1CCCO1 Amb1154666 [1,0,0,1,0,0|2,0,0]=4 727 B11R1.4 NOCCCCC1CCCC1 Amb33374554 [1,0,0,1,0,0|2,0,0]=4 728 B11R1.4 O=CCCCCC1CCCC1 Amb33358714 [1,0,0,1,0,0|1,0,0]=3 729 B11R1.4 O=CCCCCN1CCCC1 Amb33225870 [1,0,0,1,0,0|2,0,0]=4 730 B11R1.4 OCC#CCCC1C=CCC1 Amb27823768 [1,0,0,1,0,0|0,0,2]=4 731 B11R1.4 OCCCCCC1CCCC1 Amb33358865 [1,0,0,1,0,0|0,0,1]=3 732 B11R1.4 OCCCCCN1CCCC1 Amb17334420 [1,0,0,1,0,0|1,0,1]=4 733 B11R1.4 OCCCCOC1CCCO1 Amb22641876 [1,0,0,1,0,0|2,0,0]=4 734 B11R1.4 OCCCNCC1CCCC1 Amb18177551 [1,0,0,1,0,0|1,0,1]=4 735 B11R1.4 OCCCNCC1CCCO1 Amb9246597 [1,0,0,1,0,0|2,0,0]=4 736 B11R1.4 SCCCCCC1CCCC1 Amb33379887 [1,0,0,1,0,0|0,1,1]=4 737 B11R1.4 [C-]#[N+]CCCCC1CCCC1 Amb33374569 [1,0,0,1,0,0|1,0,1]=4 738 B11R1.5 C#CCC1CCCCCC1O Amb18182808 [1,0,0,1,0,0|0,0,2]=4 739 B11R1.5 C#CC[C@@H]1CCCCC[C@H]1O Amb33213413 [1,0,0,1,0,0|0,0,2]=4 740 B11R1.5 C=C1CCCCCC1CCO Amb27829924 [1,0,0,1,0,0|0,0,0]=2 741 B11R1.5 C=CCC1CCCCCC1=O Amb18181756 [1,0,0,1,0,0|0,0,2]=4 742 B11R1.5 C=CCC1CCCCCC1Cl Amb18185761 [1,0,0,1,0,0|1,0,0]=3 743 B11R1.5 C=CCC1CCCCCC1O Amb18182944 [1,0,0,1,0,0|0,0,0]=2 744 B11R1.5 C=CCC1OCCCCC1O Amb28350359 [1,0,0,1,0,0|1,0,0]=3 745 B11R1.5 C=CCN1CCCNCC1C Amb18563461 [1,0,0,1,0,0|2,0,0]=4 746 B11R1.5 C=CCN1CCNCCC1C Amb18065436 [1,0,0,1,0,0|2,0,0]=4 747 B11R1.5 C=CCN1CCOCCC1C Amb28206976 [1,0,0,1,0,0|2,0,0]=4 748 B11R1.5 C=CC[C@@H]1C=CCCC[C@@H]1O Amb28194246 [1,0,0,1,0,0|0,0,2]=4 749 B11R1.5 C=CC[C@@H]1CCCCC[C@H]1O Amb25968545 [1,0,0,1,0,0|0,0,0]=2 750 B11R1.5 C=CC[C@@H]1OCCCC[C@@H]1O Amb27213807 [1,0,0,1,0,0|1,0,0]=3 751 B11R1.5 CC1CCCCCC1CCN Amb27639026 [1,0,0,1,0,0|1,0,1]=4 752 B11R1.5 CCCC1CCCCCC1Br Amb27809042 [1,0,0,1,0,0|1,0,1]=4 753 B11R1.5 CCCC1CCCCCC1Cl Amb28291245 [1,0,0,1,0,0|1,0,1]=4 754 B11R1.5 CCCC1CCCCCC1O Amb18799751 [1,0,0,1,0,0|0,0,1]=3 755 B11R1.5 CCC[C@@H]1CCCCC[C@H]1O Amb24675468 [1,0,0,1,0,0|0,0,1]=3 756 B11R1.5 CN1CCCCCC1CCO Amb28126475 [1,0,0,1,0,0|1,0,1]=4 757 B11R1.5 COCC1CCCCCC1O Amb26871984 [1,0,0,1,0,0|1,0,1]=4 758 B11R1.5 COC[C@@H]1CCCCC[C@H]1O Amb33213541 [1,0,0,1,0,0|1,0,1]=4 759 B11R1.5 C\C=C\C1CCCCCC1O Amb33213699 [1,0,0,1,0,0|0,0,2]=4 760 B11R1.5 C\C=C\[C@@H]1CCCCC[C@H]1O Amb32950402 [1,0,0,1,0,0|0,0,2]=4 761 B11R1.5 N=C1CCCCCN1CCO Amb27757273 [1,0,0,1,0,0|2,0,0]=4 762 B11R1.5 NCCC1CCCCCC1=O Amb18200342 [1,0,0,1,0,0|2,0,0]=4 763 B11R1.5 NCCC1CCCCCC1F Amb28199101 [1,0,0,1,0,0|2,0,0]=4 764 B11R1.5 NCCC1CCCCCC1O Amb18199945 [1,0,0,1,0,0|1,0,0]=3 765 B11R1.5 O=C1CCCCCC1CCO Amb27395084 [1,0,0,1,0,0|1,0,0]=3 766 B11R1.5 O=C1CCCCCN1CCO Amb9370344 [1,0,0,1,0,0|2,0,0]=4 767 B11R1.5 O=C1NCCCCC1CCO Amb26456499 [1,0,0,1,0,0|2,0,0]=4 768 B11R1.5 O=CCC1OCCCCC1O Amb28350808 [1,0,0,1,0,0|2,0,0]=4 769 B11R1.5 OC1CCCCCC1CCF Amb28363868 [1,0,0,1,0,0|1,0,0]=3 770 B11R1.17 C#CCCC1CCCCC1=C Amb27827906 [1,0,0,1,0,0|0,0,2]=4 771 B11R1.17 C#CCCC1CCCCC1O Amb24574008 [1,0,0,1,0,0|0,0,2]=4 772 B11R1.17 C#CCC[C@@H]1CCCC[C@H]1O Amb27218929 [1,0,0,1,0,0|0,0,2]=4 773 B11R1.17 C=C1CCCCC1CCC=O Amb28239533 [1,0,0,1,0,0|0,0,2]=4 774 B11R1.17 C=C1CCCCC1CCCBr Amb27654983 [1,0,0,1,0,0|1,0,0]=3 775 B11R1.17 C=C=CC[C@@H]1CCCC[C@@H]1O Amb27775818 [1,0,0,1,0,0|0,0,2]=4 776 B11R1.17 C=CCCC1CCCCC1Br Amb28079317 [1,0,0,1,0,0|1,0,0]=3 777 B11R1.17 C=CCCC1CCCCC1O Amb25227048 [1,0,0,1,0,0|0,0,0]=2 778 B11R1.17 C=CCCN1CCNC[C@@H]1C Amb27749883 [1,0,0,1,0,0|2,0,0]=4 779 B11R1.17 C=CCCN1CCNC[C@H]1C Amb27830332 [1,0,0,1,0,0|2,0,0]=4 780 B11R1.17 C=CCCN1CCOCC1C Amb27598401 [1,0,0,1,0,0|2,0,0]=4 781 B11R1.17 C=CCC[C@@H]1CCCC[C@H]1O Amb27793096 [1,0,0,1,0,0|0,0,0]=2 782 B11R1.17 C=CCNC1CCCCC1C Amb4304020 [1,0,0,1,0,0|1,0,0]=3 783 B11R1.17 C=CCNC1CCCCC1N Amb27476204 [1,0,0,1,0,0|2,0,0]=4 784 B11R1.17 C=CCNC1CCCNC1C Amb27436696 [1,0,0,1,0,0|2,0,0]=4 785 B11R1.17 C=CCNC1CCNCC1C Amb27840211 [1,0,0,1,0,0|2,0,0]=4 786 B11R1.17 C=CCN[C@@H]1CCCC[C@@H]1C Amb27633906 [1,0,0,1,0,0|1,0,0]=3 787 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O Amb25774282 [1,0,0,1,0,0|1,0,0]=3 788 B11R1.17 C=CCN[C@H]1CCCC[C@H]1C Amb27462045 [1,0,0,1,0,0|1,0,0]=3 789 B11R1.17 C=CCOC1CCCCC1Br Amb27176337 [1,0,0,1,0,0|2,0,0]=4 790 B11R1.17 C=CCOC1CCCCC1Cl Amb27617495 [1,0,0,1,0,0|2,0,0]=4 791 B11R1.17 C=CCOC1CCCCC1N Amb27241113 [1,0,0,1,0,0|2,0,0]=4 792 B11R1.17 C=CCOC1COCCC1O Amb35695420 [1,0,0,1,0,0|2,0,0]=4 793 B11R1.17 C=CCO[C@@H]1CCCC[C@@H]1O Amb27211315 [1,0,0,1,0,0|1,0,0]=3 794 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1Br Amb28053494 [1,0,0,1,0,0|2,0,0]=4 795 B11R1.17 C=CCS[C@@H]1CCCC[C@H]1O Amb28139989 [1,0,0,1,0,0|1,0,0]=3 796 B11R1.17 C=C\C=C\[C@@H]1CCCC[C@H]1O Amb27184201 [1,0,0,1,0,0|0,0,2]=4 797 B11R1.17 CC1=C(CCCO)CCCC1 Amb28194242 [1,0,0,1,0,0|0,0,2]=4 798 B11R1.17 CC1CCCCC1CCCN Amb28135308 [1,0,0,1,0,0|1,0,1]=4 799 B11R1.17 CC1CCCCC1NCCO Amb6712645 [1,0,0,1,0,0|1,0,1]=4 800 B11R1.17 CC1CCCCC1OCC=O Amb18183071 [1,0,0,1,0,0|2,0,0]=4 801 B11R1.17 CC1CCCCN1CCCO Amb3939429 [1,0,0,1,0,0|1,0,1]=4 802 B11R1.17 CCCCC1CCCCC1=O Amb3940594 [1,0,0,1,0,0|1,0,0]=3 803 B11R1.17 CCCCC1CCCCC1C Amb24484363 [1,0,0,1,0,0|0,0,2]=4 804 B11R1.17 CCCCC1CCCCC1O Amb3354798 [1,0,0,1,0,0|0,0,1]=3 805 B11R1.17 CCCCC1NCCCC1O Amb27176604 [1,0,0,1,0,0|1,0,1]=4 806 B11R1.17 CCCCC1OCCCC1O Amb27651657 [1,0,0,1,0,0|1,0,1]=4 807 B11R1.17 CCCCN1CCCCC1=S Amb24589190 [1,0,0,1,0,0|2,0,0]=4 808 B11R1.17 CCCC[C@@H]1CCCC[C@@H]1O Amb25933579 [1,0,0,1,0,0|0,0,1]=3 809 B11R1.17 CCCC[C@@H]1CCCC[C@H]1N Amb28457366 [1,0,0,1,0,0|1,0,1]=4 810 B11R1.17 CCCC[C@@H]1CCCC[C@H]1O Amb26614644 [1,0,0,1,0,0|0,0,1]=3 811 B11R1.17 CCCC[C@@H]1NCCC[C@@H]1O Amb27965046 [1,0,0,1,0,0|1,0,1]=4 812 B11R1.17 CCCC[C@@H]1OCCC[C@H]1O Amb27852842 [1,0,0,1,0,0|1,0,1]=4 813 B11R1.17 CCCC[C@H]1NCCC[C@@H]1O Amb27213987 [1,0,0,1,0,0|1,0,1]=4 814 B11R1.17 CCCNC1CCCCC1O Amb844924 [1,0,0,1,0,0|1,0,1]=4 815 B11R1.17 CCCN[C@@H]1CCCC[C@@H]1O Amb23263413 [1,0,0,1,0,0|1,0,1]=4 816 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O Amb10608055 [1,0,0,1,0,0|1,0,1]=4 817 B11R1.17 CCCOC1CCCCC1O Amb18183283 [1,0,0,1,0,0|1,0,1]=4 818 B11R1.17 CCCO[C@@H]1CCCC[C@H]1O Amb28319930 [1,0,0,1,0,0|1,0,1]=4 819 B11R1.17 CCCS[C@@H]1CCCC[C@H]1O Amb25699949 [1,0,0,1,0,0|1,0,1]=4 820 B11R1.17 CCCS[C@H]1CCCC[C@@H]1O Amb27822957 [1,0,0,1,0,0|1,0,1]=4 821 B11R1.17 CCNCC1CCCCC1O Amb18644960 [1,0,0,1,0,0|1,0,1]=4 822 B11R1.17 CCOCC1CCCCC1=O Amb27399156 [1,0,0,1,0,0|2,0,0]=4 823 B11R1.17 CCOCC1CCCCC1O Amb26996081 [1,0,0,1,0,0|1,0,1]=4 824 B11R1.17 CCOC[C@@H]1CCCC[C@H]1O Amb26970539 [1,0,0,1,0,0|1,0,1]=4 825 B11R1.17 CN1CCCCC1CCC=O Amb33322456 [1,0,0,1,0,0|2,0,0]=4 826 B11R1.17 CN1CCCCC1CCCO Amb25846934 [1,0,0,1,0,0|1,0,1]=4 827 B11R1.17 CNCCC1CCCCC1O Amb28077324 [1,0,0,1,0,0|1,0,1]=4 828 B11R1.17 COCC[C@@H]1CCCC[C@@H]1O Amb27978371 [1,0,0,1,0,0|1,0,1]=4 829 B11R1.17 COCC[C@@H]1CCCC[C@H]1O Amb27197114 [1,0,0,1,0,0|1,0,1]=4 830 B11R1.17 COCC[C@H]1CCCCC1=O Amb27974073 [1,0,0,1,0,0|2,0,0]=4 831 B11R1.17 C[C@H]1CCCC[C@H]1OCCO Amb27220257 [1,0,0,1,0,0|1,0,1]=4 832 B11R1.17 N#CCCC1CCCCC1O Amb18644585 [1,0,0,1,0,0|1,0,1]=4 833 B11R1.17 N#CCC[C@H]1CCCC[C@H]1O Amb27267823 [1,0,0,1,0,0|1,0,1]=4 834 B11R1.17 NC1CCCCC1OCCO Amb27602239 [1,0,0,1,0,0|2,0,0]=4 835 B11R1.17 NCCCC1CCCCC1=O Amb18251486 [1,0,0,1,0,0|2,0,0]=4 836 B11R1.17 NCCCC1CCCCC1O Amb9783182 [1,0,0,1,0,0|1,0,0]=3 837 B11R1.17 NCCC[C@@H]1CCCC[C@H]1O Amb27845404 [1,0,0,1,0,0|1,0,0]=3 838 B11R1.17 NCCNC1CCCCC1O Amb18986527 [1,0,0,1,0,0|2,0,0]=4 839 B11R1.17 NCCSC1CCCCC1O Amb18289483 [1,0,0,1,0,0|2,0,0]=4 840 B11R1.17 N[C@@H]1CCCC[C@H]1NCCO Amb27659502 [1,0,0,1,0,0|2,0,0]=4 841 B11R1.17 N[C@H]1CCCC[C@H]1CCCBr Amb27219876 [1,0,0,1,0,0|2,0,0]=4 842 B11R1.17 O=C1CCCCC1CCCO Amb27481191 [1,0,0,1,0,0|1,0,0]=3 843 B11R1.17 O=C1CCCCN1CCCO Amb9370460 [1,0,0,1,0,0|2,0,0]=4 844 B11R1.17 O=C1CCOCC1CCCO Amb28284744 [1,0,0,1,0,0|2,0,0]=4 845 B11R1.17 O=C1NCCCC1CCCO Amb25978142 [1,0,0,1,0,0|2,0,0]=4 846 B11R1.17 O=CCCC1CCCCC1O Amb27166081 [1,0,0,1,0,0|1,0,0]=3 847 B11R1.17 OCCCC1CCCCC1O Amb27170228 [1,0,0,1,0,0|1,0,0]=3 848 B11R1.17 OCCCC1CCCOC1O Amb28190299 [1,0,0,1,0,0|2,0,0]=4 849 B11R1.17 OCCCC1NCCCC1O Amb27215493 [1,0,0,1,0,0|2,0,0]=4 850 B11R1.17 OCCCC1OCCCC1O Amb28401058 [1,0,0,1,0,0|2,0,0]=4 851 B11R1.17 OCCC[C@@H]1CCCC[C@H]1O Amb27448760 [1,0,0,1,0,0|1,0,0]=3 852 B11R1.17 OCCC[C@@H]1OCCC[C@H]1O Amb27184259 [1,0,0,1,0,0|2,0,0]=4 853 B11R1.17 OCCNC1CCCCC1O Amb18289319 [1,0,0,1,0,0|2,0,0]=4 854 B11R1.17 OCCN[C@H]1CCCC[C@@H]1O Amb27421306 [1,0,0,1,0,0|2,0,0]=4 855 B11R1.17 OCCO[C@@H]1CCCC[C@@H]1O Amb27257902 [1,0,0,1,0,0|2,0,0]=4 856 B11R1.17 OCCO[C@@H]1CCCC[C@H]1O Amb27844349 [1,0,0,1,0,0|2,0,0]=4 857 B11R1.17 O[C@@H]1CCCC[C@H]1NCCF Amb24532141 [1,0,0,1,0,0|2,0,0]=4 858 B11R1.17 O[C@@H]1CCCC[C@H]1SCCS Amb27443233 [1,0,0,1,0,0|2,0,0]=4 859 B11R1.17 O[C@H]1CCCC[C@@H]1NCCF Amb28423482 [1,0,0,1,0,0|2,0,0]=4 860 B11R1.18 C=CC1CCCC1\C=C\CO Amb27650246 [1,0,0,1,0,0|0,0,2]=4 861 B11R1.18 C=CC1CCCN1CCCC Amb25383205 [1,0,0,1,0,0|1,0,0]=3 862 B11R1.18 C=CCCC1CCCC1NC Amb27271588 [1,0,0,1,0,0|1,0,0]=3 863 B11R1.18 C=CCCN1CCCC1CN Amb27673299 [1,0,0,1,0,0|2,0,0]=4 864 B11R1.18 C=CCCN1CCCC1CO Amb27271574 [1,0,0,1,0,0|1,0,0]=3 865 B11R1.18 C=CCCN1CCC[C@@H]1CO Amb27670886 [1,0,0,1,0,0|1,0,0]=3 866 B11R1.18 C=CCCN1CCC[C@H]1CO Amb27670881 [1,0,0,1,0,0|1,0,0]=3 867 B11R1.18 C=CCNC1CCCC1CCl Amb27492478 [1,0,0,1,0,0|2,0,0]=4 868 B11R1.18 C=CCNC1CCCC1CN Amb27271607 [1,0,0,1,0,0|2,0,0]=4 869 B11R1.18 C=CCNC1CCCC1CO Amb27492472 [1,0,0,1,0,0|1,0,0]=3 870 B11R1.18 C=CCN[C@@H]1CCC[C@H]1OC Amb27271928 [1,0,0,1,0,0|2,0,0]=4 871 B11R1.18 C=CCOC1CCCC1CN Amb27271605 [1,0,0,1,0,0|2,0,0]=4 872 B11R1.18 C=CCSC1CCCC1CN Amb27492187 [1,0,0,1,0,0|2,0,0]=4 873 B11R1.18 C=CCSC1CCCC1NC Amb27492196 [1,0,0,1,0,0|2,0,0]=4 874 B11R1.18 C=C[C@H]1CCC[C@H]1C#CCC Amb28194640 [1,0,0,1,0,0|0,0,2]=4 875 B11R1.18 C=C\C=C\[C@@H]1CCC[C@@H]1CO Amb27197466 [1,0,0,1,0,0|0,0,2]=4 876 B11R1.18 CCC1CCCN1CCCO Amb18179765 [1,0,0,1,0,0|1,0,1]=4 877 B11R1.18 CCCCC1CCCC1CC Amb27674064 [1,0,0,1,0,0|0,0,2]=4 878 B11R1.18 CCCCC1OCCC1CO Amb27987731 [1,0,0,1,0,0|1,0,1]=4 879 B11R1.18 CCCCN1CCCC1CO Amb18799841 [1,0,0,1,0,0|1,0,1]=4 880 B11R1.18 CCCCN1CCC[C@@H]1CO Amb27670885 [1,0,0,1,0,0|1,0,1]=4 881 B11R1.18 CCCCN1CCC[C@H]1CO Amb27670884 [1,0,0,1,0,0|1,0,1]=4 882 B11R1.18 CCCC[C@H]1OCC[C@@H]1C=O Amb24765269 [1,0,0,1,0,0|2,0,0]=4 883 B11R1.18 CCCC[C@H]1OCC[C@H]1C=O Amb24765268 [1,0,0,1,0,0|2,0,0]=4 884 B11R1.18 CCCNC1CCCC1CO Amb27269399 [1,0,0,1,0,0|1,0,1]=4 885 B11R1.18 CCNCC1CCCC1CO Amb27271612 [1,0,0,1,0,0|1,0,1]=4 886 B11R1.18 COC1CCCC1CCC=O Amb28079946 [1,0,0,1,0,0|2,0,0]=4 887 B11R1.18 COC1CCCC1CCCO Amb28079932 [1,0,0,1,0,0|1,0,1]=4 888 B11R1.18 NCC1CCCC1NCCO Amb27271608 [1,0,0,1,0,0|2,0,0]=4 889 B11R1.18 NCC1CCCN1CCCO Amb26996990 [1,0,0,1,0,0|2,0,0]=4 890 B11R1.18 NCCCN1CCCC1CO Amb5492112 [1,0,0,1,0,0|2,0,0]=4 891 B11R1.18 NCCNC1CCCC1CO Amb27492473 [1,0,0,1,0,0|2,0,0]=4 892 B11R1.18 OCC1CCCC1NCCF Amb27492474 [1,0,0,1,0,0|2,0,0]=4 893 B11R1.18 OCC1CCCN1CCCBr Amb27269536 [1,0,0,1,0,0|2,0,0]=4 894 B11R1.18 OCC1CCCN1CCCCl Amb18790913 [1,0,0,1,0,0|2,0,0]=4 895 B11R1.18 OCCCN1CCCC1CO Amb18177646 [1,0,0,1,0,0|2,0,0]=4 896 B11R1.18 OCCCN1CCC[C@@H]1CO Amb27670880 [1,0,0,1,0,0|2,0,0]=4 897 B11R1.18 OCCCN1CCC[C@H]1CO Amb27670882 [1,0,0,1,0,0|2,0,0]=4 898 B11R1.18 OCCC[C@H]1CCC[C@H]1CO Amb27989722 [1,0,0,1,0,0|1,0,0]=3 899 B11R1.18 OCCNC1CCCC1CO Amb27492477 [1,0,0,1,0,0|2,0,0]=4 900 B11R1.18 OC[C@H]1CCCN1CCCI Amb27818447 [1,0,0,1,0,0|2,0,0]=4 901 B11R1.26 C#CC1CCCCCCC1O Amb28065903 [1,0,0,1,0,0|0,0,2]=4 902 B11R1.26 C#C[C@@H]1CCCCCC[C@H]1O Amb27422664 [1,0,0,1,0,0|0,0,2]=4 903 B11R1.26 C=C1CCCCCCC1CO Amb27765896 [1,0,0,1,0,0|0,0,0]=2 904 B11R1.26 C=CC1OCCCCCC1O Amb27219659 [1,0,0,1,0,0|1,0,0]=3 905 B11R1.26 CC1=C(CO)CCCCCC1 Amb28127966 [1,0,0,1,0,0|0,0,2]=4 906 B11R1.26 CCC1CCCCCCC1=O Amb28284886 [1,0,0,1,0,0|1,0,0]=3 907 B11R1.26 CCC1CCCCCCC1O Amb28342347 [1,0,0,1,0,0|0,0,1]=3 908 B11R1.26 CC[C@@H]1CCCCCC[C@H]1O Amb25931014 [1,0,0,1,0,0|0,0,1]=3 909 B11R1.26 N#C[C@@H]1CCCCCC[C@H]1O Amb27422329 [1,0,0,1,0,0|1,0,1]=4 910 B11R1.26 NC1CCCCCCC1CO Amb27798202 [1,0,0,1,0,0|1,0,0]=3 911 B11R1.26 NCC1CCCCCCC1O Amb26386383 [1,0,0,1,0,0|1,0,0]=3 912 B11R1.26 O=C1CCCCCCN1CO Amb8844103 [1,0,0,1,0,0|2,0,0]=4 913 B11R1.26 OCC1CCCCCCC1O Amb26612870 [1,0,0,1,0,0|1,0,0]=3 914 B11R1.26 OC[C@H]1CCCCCC[C@@H]1O Amb28292208 [1,0,0,1,0,0|1,0,0]=3 915 B11R1.26 [C-]#[N+][C@@H]1CCCCCC[C@H]1O Amb28345315 [1,0,0,1,0,0|1,0,1]=4 916 B11R1.26 [C-]#[N+][C@H]1CCCCCC[C@@H]1O Amb28455682 [1,0,0,1,0,0|1,0,1]=4 917 B11R1.28 BrCCCCC1=CCCCC1 Amb27673529 [1,0,0,1,0,0|1,0,1]=4 918 B11R1.28 BrCCCCC1CCCCC1 Amb21937167 [1,0,0,1,0,0|1,0,1]=4 919 B11R1.28 BrCCCCC1CCCCO1 Amb32690655 [1,0,0,1,0,0|1,0,0]=3 920 B11R1.28 BrCCCOC1CCCCO1 Amb2779897 [1,0,0,1,0,0|2,0,0]=4 921 B11R1.28 BrCCOCC1CCCCO1 Amb9717598 [1,0,0,1,0,0|2,0,0]=4 922 B11R1.28 C#CCCCC1CCCCC1 Amb24062905 [1,0,0,1,0,0|0,0,2]=4 923 B11R1.28 C=CCCCC1CCCCC1 Amb24117204 [1,0,0,1,0,0|0,0,0]=2 924 B11R1.28 C=CCCCC1CCCCN1 Amb27271589 [1,0,0,1,0,0|1,0,0]=3 925 B11R1.28 C=CCCCC1OCCCO1 Amb28388099 [1,0,0,1,0,0|1,0,0]=3 926 B11R1.28 C=CCCCN1CCCCC1 Amb27986500 [1,0,0,1,0,0|1,0,0]=3 927 B11R1.28 C=CCCCN1CCCCN1 Amb27671785 [1,0,0,1,0,0|2,0,0]=4 928 B11R1.28 C=CCCCN1CCOCC1 Amb26999414 [1,0,0,1,0,0|2,0,0]=4 929 B11R1.28 C=CCCCN1CCSCC1 Amb27270189 [1,0,0,1,0,0|2,0,0]=4 930 B11R1.28 C=CCCNC1CCCCC1 Amb10559348 [1,0,0,1,0,0|1,0,0]=3 931 B11R1.28 C=CCCNC1CCCNC1 Amb27988126 [1,0,0,1,0,0|2,0,0]=4 932 B11R1.28 C=CCCNC1CCCOC1 Amb27266962 [1,0,0,1,0,0|2,0,0]=4 933 B11R1.28 C=CCCNC1CCCSC1 Amb27988112 [1,0,0,1,0,0|2,0,0]=4 934 B11R1.28 C=CCCNC1CCOCC1 Amb27266955 [1,0,0,1,0,0|2,0,0]=4 935 B11R1.28 C=CCCOC1CCCCO1 Amb9134800 [1,0,0,1,0,0|1,0,0]=3 936 B11R1.28 C=CCCOC1CCCNC1 Amb27266957 [1,0,0,1,0,0|2,0,0]=4 937 B11R1.28 C=CCCOC1CCNCC1 Amb27266956 [1,0,0,1,0,0|2,0,0]=4 938 B11R1.28 C=CCCO[C@H]1CCCNC1 Amb27492038 [1,0,0,1,0,0|2,0,0]=4 939 B11R1.28 C=CCNCC1CCCCC1 Amb6683817 [1,0,0,1,0,0|1,0,0]=3 940 B11R1.28 C=CCNCC1CCCNC1 Amb17232142 [1,0,0,1,0,0|2,0,0]=4 941 B11R1.28 C=CCNCC1CCNCC1 Amb17232140 [1,0,0,1,0,0|2,0,0]=4 942 B11R1.28 C=CCOCC1CCCNC1 Amb19021852 [1,0,0,1,0,0|2,0,0]=4 943 B11R1.28 C=CCOCC1CCCNC1 Amb32412161 [1,0,0,1,0,0|2,0,0]=4 944 B11R1.28 C=CCOCC1CCNCC1 Amb13783512 [1,0,0,1,0,0|2,0,0]=4 945 B11R1.28 C=CCOCC1CCNCC1 Amb21954868 [1,0,0,1,0,0|2,0,0]=4 946 B11R1.28 C=CCSCC1CCCCN1 Amb27492206 [1,0,0,1,0,0|2,0,0]=4 947 B11R1.28 C=CCSCC1CCCNC1 Amb27492202 [1,0,0,1,0,0|2,0,0]=4 948 B11R1.28 C=CCSCC1CCNCC1 Amb27492197 [1,0,0,1,0,0|2,0,0]=4 949 B11R1.28 C=CCSCC1CNCCO1 Amb27492204 [1,0,0,1,0,0|2,0,0]=4 950 B11R1.28 C=COCCN1CCCCC1 Amb17934202 [1,0,0,1,0,0|2,0,0]=4 951 B11R1.28 C=C\C=C\CC1CCCCC1 Amb28284960 [1,0,0,1,0,0|0,0,2]=4 952 B11R1.28 CCCCCC1CCCCC1 Amb4035883 [1,0,0,1,0,0|0,0,2]=4 953 B11R1.28 CCCCCC1CCCCN1 Amb35745661 [1,0,0,1,0,0|1,0,1]=4 954 B11R1.28 CCCCCC1CCCCN1 Amb3788144 [1,0,0,1,0,0|1,0,1]=4 955 B11R1.28 CCCCCC1CCCNC1 Amb22642855 [1,0,0,1,0,0|1,0,1]=4 956 B11R1.28 CCCCCC1CCCNC1 Amb35745623 [1,0,0,1,0,0|1,0,1]=4 957 B11R1.28 CCCCCC1CCOCO1 Amb27673274 [1,0,0,1,0,0|1,0,1]=4 958 B11R1.28 CCCCOC1CCCCO1 Amb33856103 [1,0,0,1,0,0|1,0,1]=4 959 B11R1.28 CCCNCC1CCCCO1 Amb9258727 [1,0,0,1,0,0|1,0,1]=4 960 B11R1.28 CCNCCC1CCCCO1 Amb18312531 [1,0,0,1,0,0|1,0,1]=4 961 B11R1.28 CNCCCC1CCCCC1 Amb8853671 [1,0,0,1,0,0|1,0,1]=4 962 B11R1.28 CNCCCC1CCCCO1 Amb27266780 [1,0,0,1,0,0|1,0,1]=4 963 B11R1.28 CNCCSC1C=CCCC1 Amb27674013 [1,0,0,1,0,0|2,0,0]=4 964 B11R1.28 C[NH2+]CCCC1CCCCC1 Amb20648432 [1,0,0,1,0,0|1,0,1]=4 965 B11R1.28 ClCCCCC1CCCCC1 Amb26076997 [1,0,0,1,0,0|1,0,1]=4 966 B11R1.28 ClCCCCC1CCCCO1 Amb32690653 [1,0,0,1,0,0|1,0,0]=3 967 B11R1.28 ClCCCSC1CCCCO1 Amb27990061 [1,0,0,1,0,0|2,0,0]=4 968 B11R1.28 ClCCNCC1CCCCO1 Amb27670548 [1,0,0,1,0,0|2,0,0]=4 969 B11R1.28 ClCCSCC1CCCCO1 Amb27492348 [1,0,0,1,0,0|2,0,0]=4 970 B11R1.28 FCCCNC1C=CCCC1 Amb27987678 [1,0,0,1,0,0|2,0,0]=4 971 B11R1.28 ICCCCC1CCCCC1 Amb32411024 [1,0,0,1,0,0|1,0,1]=4 972 B11R1.28 ICCCOC1CCCCO1 Amb24761942 [1,0,0,1,0,0|2,0,0]=4 973 B11R1.28 N#CCCCC1CCCCC1 Amb4035890 [1,0,0,1,0,0|1,0,1]=4 974 B11R1.28 N#CCCCC1CCCCO1 Amb35647727 [1,0,0,1,0,0|1,0,1]=4 975 B11R1.28 NCCCCC1CCCCC1 Amb17570025 [1,0,0,1,0,0|1,0,1]=4 976 B11R1.28 NCCCCC1CCCCN1 Amb27272282 [1,0,0,1,0,0|2,0,0]=4 977 B11R1.28 NCCCCC1CCCCO1 Amb33377397 [1,0,0,1,0,0|1,0,0]=3 978 B11R1.28 NCCCOC1CCCCO1 Amb28388105 [1,0,0,1,0,0|2,0,0]=4 979 B11R1.28 NCCNCC1CCCCO1 Amb19014581 [1,0,0,1,0,0|2,0,0]=4 980 B11R1.28 NNCCCC1CCCCC1 Amb6248425 [1,0,0,1,0,0|2,0,0]=4 981 B11R1.28 NNCCCC1CCCCO1 Amb27266779 [1,0,0,1,0,0|2,0,0]=4 982 B11R1.28 NOCCCC1CCCCC1 Amb33422787 [1,0,0,1,0,0|2,0,0]=4 983 B11R1.28 O=CCCCC1CCCCC1 Amb26998071 [1,0,0,1,0,0|1,0,0]=3 984 B11R1.28 O=CCCCC1CCCCO1 Amb25385814 [1,0,0,1,0,0|1,0,0]=3 985 B11R1.28 O=CCCCC1CCCOC1 Amb33323158 [1,0,0,1,0,0|2,0,0]=4 986 B11R1.28 O=CCCCC1CCCSC1 Amb32726172 [1,0,0,1,0,0|2,0,0]=4 987 B11R1.28 O=CCCCC1CCOCC1 Amb26076142 [1,0,0,1,0,0|2,0,0]=4 988 B11R1.28 O=CNCCC1CCCCC1 Amb28293397 [1,0,0,1,0,0|2,0,0]=4 989 B11R1.28 OCCCCC1=CCCCC1 Amb4477238 [1,0,0,1,0,0|0,0,1]=3 990 B11R1.28 OCCCCC1C=CCCO1 Amb27989629 [1,0,0,1,0,0|1,0,0]=3 991 B11R1.28 OCCCCC1CCCCC1 Amb3939108 [1,0,0,1,0,0|0,0,1]=3 992 B11R1.28 OCCCCC1CCCCN1 Amb22749320 [1,0,0,1,0,0|1,0,0]=3 993 B11R1.28 OCCCCC1CCCCO1 Amb26658869 [1,0,0,1,0,0|1,0,0]=3 994 B11R1.28 OCCCCC1CCCNC1 Amb22749319 [1,0,0,1,0,0|1,0,1]=4 995 B11R1.28 OCCCCC1CCNCC1 Amb21858465 [1,0,0,1,0,0|1,0,1]=4 996 B11R1.28 OCCCCC1CCNCC1 Amb21858466 [1,0,0,1,0,0|1,0,1]=4 997 B11R1.28 OCCCCC1CCOCC1 Amb24750759 [1,0,0,1,0,0|1,0,1]=4 998 B11R1.28 OCCCCC1OCCCO1 Amb28080065 [1,0,0,1,0,0|2,0,0]=4 999 B11R1.28 OCCCCN1CCCCC1 Amb3204765 [1,0,0,1,0,0|1,0,1]=4 1000 B11R1.28 OCCCCN1CCCCN1 Amb27671796 [1,0,0,1,0,0|2,0,0]=4 1001 B11R1.28 OCCCNC1C=CCCC1 Amb27271277 [1,0,0,1,0,0|1,0,0]=3 1002 B11R1.28 OCCCNC1CCCCC1 Amb35750445 [1,0,0,1,0,0|1,0,1]=4 1003 B11R1.28 OCCCNC1CCCCC1 Amb6733735 [1,0,0,1,0,0|1,0,1]=4 1004 B11R1.28 OCCCOC1CCCCC1 Amb6893051 [1,0,0,1,0,0|1,0,1]=4 1005 B11R1.28 OCCCPC1CCCCC1 Amb27989607 [1,0,0,1,0,0|1,0,1]=4 1006 B11R1.28 OCCNCC1CCCCC1 Amb9203178 [1,0,0,1,0,0|1,0,1]=4 1007 B11R1.28 OCCOCC1CCCCO1 Amb18800345 [1,0,0,1,0,0|2,0,0]=4 1008 B11R1.28 OCCSCC1CCCCN1 Amb18184000 [1,0,0,1,0,0|2,0,0]=4 1009 B11R1.28 SCCCCC1CCCCC1 Amb33422122 [1,0,0,1,0,0|0,1,1]=4 1010 B11R1.28 SCCCOC1CCCCO1 Amb27990336 [1,0,0,1,0,0|2,0,0]=4 1011 B11R1.28 [C-]#[N+]CCCC1CCCCC1 Amb26448941 [1,0,0,1,0,0|1,0,1]=4 1012 B11R1.41 C=CC1CCCCN1CCC Amb28453966 [1,0,0,1,0,0|1,0,0]=3 1013 B11R1.41 C=CC1CCCCN1CCI Amb27467164 [1,0,0,1,0,0|2,0,0]=4 1014 B11R1.41 C=CC1CCCCN1CCO Amb27472730 [1,0,0,1,0,0|1,0,0]=3 1015 B11R1.41 C=CC1CNCCC1CCCl Amb27445053 [1,0,0,1,0,0|2,0,0]=4 1016 B11R1.41 C=CCC1CCCCC1NC Amb18993613 [1,0,0,1,0,0|1,0,0]=3 1017 B11R1.41 C=CCC1CCCC\C1=N/O Amb25794099 [1,0,0,1,0,0|1,0,1]=4 1018 B11R1.41 C=CCC1CCCC\C1=N\O Amb28429098 [1,0,0,1,0,0|1,0,1]=4 1019 B11R1.41 C=CCN1CCCCC1CO Amb18183002 [1,0,0,1,0,0|1,0,0]=3 1020 B11R1.41 C=CCN1CCNCC1CO Amb24533737 [1,0,0,1,0,0|2,0,0]=4 1021 B11R1.41 C=CCN1CCOCC1CO Amb27842066 [1,0,0,1,0,0|2,0,0]=4 1022 B11R1.41 C=CCN1CCOC[C@@H]1CO Amb27946542 [1,0,0,1,0,0|2,0,0]=4 1023 B11R1.41 C=CCN1CCOC[C@H]1CO Amb27756043 [1,0,0,1,0,0|2,0,0]=4 1024 B11R1.41 C=COC1CCCCC1CC Amb27757966 [1,0,0,1,0,0|1,0,0]=3 1025 B11R1.41 C=C[C@@H]1CCCC[C@H]1CC=O Amb27447266 [1,0,0,1,0,0|0,0,2]=4 1026 B11R1.41 CCC1CCCCC1CCBr Amb28186141 [1,0,0,1,0,0|1,0,1]=4 1027 B11R1.41 CCC1CCCCC1CCO Amb28186835 [1,0,0,1,0,0|0,0,1]=3 1028 B11R1.41 CCC1CCCCC1OC=N Amb26009235 [1,0,0,1,0,0|2,0,0]=4 1029 B11R1.41 CCC1CCCCN1CC=O Amb18799608 [1,0,0,1,0,0|2,0,0]=4 1030 B11R1.41 CCC1CCCCN1CCO Amb9370238 [1,0,0,1,0,0|1,0,1]=4 1031 B11R1.41 CCCC1CCCCC1CN Amb26014918 [1,0,0,1,0,0|1,0,1]=4 1032 B11R1.41 CCCC1CCCCN1C=O Amb24523123 [1,0,0,1,0,0|2,0,0]=4 1033 B11R1.41 CCCC1OCCCC1C=O Amb28132010 [1,0,0,1,0,0|2,0,0]=4 1034 B11R1.41 CCCN1CCCC[C@H]1CO Amb27604762 [1,0,0,1,0,0|1,0,1]=4 1035 B11R1.41 CCN1CCCCC1CC=O Amb27958566 [1,0,0,1,0,0|2,0,0]=4 1036 B11R1.41 CCN1CCCCC1CCO Amb18183195 [1,0,0,1,0,0|1,0,1]=4 1037 B11R1.41 CCSC1CCCCC1C=O Amb27431708 [1,0,0,1,0,0|2,0,0]=4 1038 B11R1.41 CC[C@@H]1CCCC[C@H]1CCO Amb28321391 [1,0,0,1,0,0|0,0,1]=3 1039 B11R1.41 CC[C@H]1CNCC[C@@H]1CCO Amb27482650 [1,0,0,1,0,0|1,0,1]=4 1040 B11R1.41 CNCC1CCCCC1CO Amb27640096 [1,0,0,1,0,0|1,0,1]=4 1041 B11R1.41 COC[C@@H]1CCCC[C@H]1CO Amb17939261 [1,0,0,1,0,0|1,0,1]=4 1042 B11R1.41 CO[C@@H]1CCCC[C@H]1CCO Amb27207783 [1,0,0,1,0,0|1,0,1]=4 1043 B11R1.41 NCC1CCCCN1CCO Amb18294586 [1,0,0,1,0,0|2,0,0]=4 1044 B11R1.41 NCCC1CCCCC1CF Amb27967428 [1,0,0,1,0,0|2,0,0]=4 1045 B11R1.41 NCCN1CCCCC1CO Amb4304384 [1,0,0,1,0,0|2,0,0]=4 1046 B11R1.41 O=CCN1CCCCC1CO Amb18799800 [1,0,0,1,0,0|2,0,0]=4 1047 B11R1.41 O=CNC1CCCCC1CO Amb27235336 [1,0,0,1,0,0|2,0,0]=4 1048 B11R1.41 OCC1CCCCC1CCF Amb27958912 [1,0,0,1,0,0|1,0,0]=3 1049 B11R1.41 OCC1CCCCN1CCI Amb27977397 [1,0,0,1,0,0|2,0,0]=4 1050 B11R1.41 OCCN1CCCCC1CO Amb18177647 [1,0,0,1,0,0|2,0,0]=4 1051 B11R1.41 OCCN1CCCC[C@H]1CO Amb28048433 [1,0,0,1,0,0|2,0,0]=4 1052 B11R1.41 OCC[C@@H]1CCCC[C@H]1CO Amb28249036 [1,0,0,1,0,0|1,0,0]=3 1053 B11R1.47 OCCCCNCC1CCC1 Amb18182245 [1,0,0,1,0,0|1,0,1]=4 1054 B11R1.51 CCC1CCCCCC1C#N Amb35611345 [1,0,0,1,0,0|1,0,1]=4 1055 B11R1.51 CCC1CCCCCC1C=O Amb35725693 [1,0,0,1,0,0|1,0,0]=3 1056 B11R1.51 CCC1CCCCCC1CBr Amb35721286 [1,0,0,1,0,0|1,0,1]=4 1057 B11R1.51 CCC1CCCCCC1CCl Amb35721285 [1,0,0,1,0,0|1,0,1]=4 1058 B11R1.51 CCC1CCCCCC1CN Amb27977818 [1,0,0,1,0,0|1,0,1]=4 1059 B11R1.51 CCC1CCCCCC1CO Amb35672750 [1,0,0,1,0,0|0,0,1]=3 1060 B11R1.51 CCC1CCCCCC1NN Amb35734051 [1,0,0,1,0,0|2,0,0]=4 1061 B11R1.51 CCC1CCCCCC1NO Amb35725722 [1,0,0,1,0,0|1,0,1]=4 1062 B11R1.51 CCN1CCCCCC1C=O Amb28135545 [1,0,0,1,0,0|2,0,0]=4 1063 B11R1.51 CCN1CCCCCC1CO Amb10817345 [1,0,0,1,0,0|1,0,1]=4 1064 B11R1.51 O=CN1CCCCCC1CO Amb26932888 [1,0,0,1,0,0|2,0,0]=4 1065 B11R1.51 OCC1CCCCCC1CCl Amb27875207 [1,0,0,1,0,0|1,0,0]=3 1066 B11R1.51 OC[C@H]1CCCCC[C@H]1CO Amb22356584 [1,0,0,1,0,0|1,0,0]=3 1067 B11R1.85 OC1CCCCCCC=C1Br Amb17595969 [1,0,0,1,0,0|1,0,1]=4 1068 B11R1.92 C1CCCCCCCCCC1 Amb25060085 [1,0,0,1,0,0|0,0,2]=4 1069 B11R1.92 C1CCCCCNCCCC1 Amb27462141 [1,0,0,1,0,0|1,0,1]=4 1070 B11R1.99 BrCCCCCCCC1CC1 Amb33167094 [1,0,0,1,0,0|1,0,1]=4 1071 B11R1.99 C=CCCCCCCC1CO1 Amb8515343 [1,0,0,1,0,0|0,0,0]=2 1072 B11R1.99 CCCCCCOCC1CO1 Amb7761629 [1,0,0,1,0,0|1,0,1]=4 1073 B11R1.99 NCCCCCCCC1CC1 Amb33167099 [1,0,0,1,0,0|1,0,1]=4 1074 B11R1.99 O=CCCCCCCC1CC1 Amb33167104 [1,0,0,1,0,0|1,0,0]=3 1075 B11R1.99 OCCNCCCCC1CC1 Amb32675860 [1,0,0,1,0,0|1,0,1]=4 1076 B11R1.101 ClC1C=CCCCCCCC1 Amb28285392 [1,0,0,1,0,0|1,0,0]=3 1077 B11R1.101 ClC1CCCCCCCCC1 Amb26603797 [1,0,0,1,0,0|1,0,1]=4 1078 B11R1.101 NC1CCCCCCCCC1 Amb17593887 [1,0,0,1,0,0|1,0,1]=4 1079 B11R1.101 NC1CCCCCCCCC1 Amb29837926 [1,0,0,1,0,0|1,0,1]=4 1080 B11R1.101 O=C1C=CCCCCCCC1 Amb28254479 [1,0,0,1,0,0|0,0,2]=4 1081 B11R1.101 O=C1CCCCCCCCC1 Amb2778532 [1,0,0,1,0,0|1,0,0]=3 1082 B11R1.101 O=C1CCCCCCCCN1 Amb4034840 [1,0,0,1,0,0|2,0,0]=4 1083 B11R1.101 OC1C=CCCCC=CCC1 Amb27218493 [1,0,0,1,0,0|0,0,2]=4 1084 B11R1.101 OC1CCCCCCCCC1 Amb22008249 [1,0,0,1,0,0|0,0,1]=3 1085 B11R1.101 O[C@H]1C#CCCCCCCC1 Amb27833371 [1,0,0,1,0,0|0,0,2]=4 1086 B11R1.101 O[C@H]1C=C=CCCCCCC1 Amb27207812 [1,0,0,1,0,0|0,0,2]=4 1087 B11R1.101 O[C@H]1C=CCCCCCCC1 Amb28206118 [1,0,0,1,0,0|0,0,0]=2 1088 B11R1.101 S=C1CCCCCCCCN1 Amb27636863 [1,0,0,1,0,0|2,0,0]=4 1089 B11R1.109 C=CCC1CCCC1CC=O Amb27986653 [1,0,0,1,0,0|0,0,2]=4 1090 B11R1.109 C=CCN1CCCC1CCBr Amb27987121 [1,0,0,1,0,0|2,0,0]=4 1091 B11R1.109 C=CCN1CCCC1CCO Amb27987145 [1,0,0,1,0,0|1,0,0]=3 1092 B11R1.109 C=CCN1CCCC1CSC Amb27271836 [1,0,0,1,0,0|2,0,0]=4 1093 B11R1.109 CCCC1CCNC1CCO Amb32946581 [1,0,0,1,0,0|1,0,1]=4 1094 B11R1.109 CCCN1CCCC1CCO Amb27989578 [1,0,0,1,0,0|1,0,1]=4 1095 B11R1.109 CCNC1CCCC1CCO Amb27272356 [1,0,0,1,0,0|1,0,1]=4 1096 B11R1.109 NCCC1CCCC1CCN Amb27673469 [1,0,0,1,0,0|2,0,0]=4 1097 B11R1.109 NCCC1CCCN1CCO Amb27987148 [1,0,0,1,0,0|2,0,0]=4 1098 B11R1.109 NCCN1CCCC1CCO Amb27987143 [1,0,0,1,0,0|2,0,0]=4 1099 B11R1.109 O=CCN1CCCC1CCO Amb27987139 [1,0,0,1,0,0|2,0,0]=4 1100 B11R1.109 OCCC1CCCN1CCBr Amb27987141 [1,0,0,1,0,0|2,0,0]=4 1101 B11R1.109 OCCC1CCCN1CCCl Amb27987142 [1,0,0,1,0,0|2,0,0]=4 1102 B11R1.109 OCCC1CCCN1CCF Amb27987146 [1,0,0,1,0,0|2,0,0]=4 1103 B11R1.109 OCCC1CCCN1CCO Amb27987140 [1,0,0,1,0,0|2,0,0]=4 1104 B11R1.109 OCCC1CCCN1CCS Amb27987144 [1,0,0,1,0,0|2,0,0]=4 1105 B11R1.109 OCC[C@@H]1CNC[C@@H]1CCO Amb32686556 [1,0,0,1,0,0|2,0,0]=4 1106 B11R1.109 OCC[C@@H]1CNC[C@@H]1CCO Amb32686557 [1,0,0,1,0,0|2,0,0]=4 1107 B11R1.117 BrCCC1CCCCCCC1 Amb27231389 [1,0,0,1,0,0|1,0,1]=4 1108 B11R1.117 Br\C=C\C1CCCCCCC1 Amb33135178 [1,0,0,1,0,0|1,0,1]=4 1109 B11R1.117 C=CCC1=CCCCCCC1 Amb27465994 [1,0,0,1,0,0|0,0,2]=4 1110 B11R1.117 C=CCN1CCCCCCC1 Amb27632227 [1,0,0,1,0,0|1,0,0]=3 1111 B11R1.117 CCCC1CCCCCCN1 Amb27400100 [1,0,0,1,0,0|1,0,1]=4 1112 B11R1.117 CNCC1C=CCCCCC1 Amb28206523 [1,0,0,1,0,0|1,0,0]=3 1113 B11R1.117 CNCC1CCCCCCC1 Amb19149347 [1,0,0,1,0,0|1,0,1]=4 1114 B11R1.117 ClCCC1CCCCCCC1 Amb27760938 [1,0,0,1,0,0|1,0,1]=4 1115 B11R1.117 N#CCC1CCCCCCC1 Amb25947499 [1,0,0,1,0,0|1,0,1]=4 1116 B11R1.117 NCCC1CCCCCCC1 Amb10607690 [1,0,0,1,0,0|1,0,1]=4 1117 B11R1.117 OCCC1=CCCCCCC1 Amb24439590 [1,0,0,1,0,0|0,0,1]=3 1118 B11R1.117 OCCC1CCCCCCN1 Amb28135445 [1,0,0,1,0,0|1,0,0]=3 1119 B11R1.117 ONCC1CCCCCCC1 Amb28189794 [1,0,0,1,0,0|1,0,1]=4 1120 B11R1.180 C#CCCCC1CCCC1O Amb26560187 [1,0,0,1,0,0|0,0,2]=4 1121 B11R1.180 C#CCCC[C@@H]1CCC[C@H]1O Amb32945288 [1,0,0,1,0,0|0,0,2]=4 1122 B11R1.180 C=CCCCC1C=CCC1O Amb27673934 [1,0,0,1,0,0|0,0,2]=4 1123 B11R1.180 C=CCCCC1CCCC1=O Amb27271584 [1,0,0,1,0,0|0,0,2]=4 1124 B11R1.180 C=CCCCC1CCCC1Br Amb27271586 [1,0,0,1,0,0|1,0,0]=3 1125 B11R1.180 C=CCCCC1CCCC1Cl Amb27271585 [1,0,0,1,0,0|1,0,0]=3 1126 B11R1.180 C=CCCCC1CCCC1N Amb27271587 [1,0,0,1,0,0|1,0,0]=3 1127 B11R1.180 C=CCCCC1CCCC1O Amb24762973 [1,0,0,1,0,0|0,0,0]=2 1128 B11R1.180 C=CCCCC1CNCC1O Amb32950583 [1,0,0,1,0,0|1,0,0]=3 1129 B11R1.180 C=CCCCC1COCC1O Amb32950216 [1,0,0,1,0,0|1,0,0]=3 1130 B11R1.180 C=CCCCN1CCCC1C Amb28326413 [1,0,0,1,0,0|1,0,0]=3 1131 B11R1.180 C=CCCC[C@@H]1CCCC1=O Amb28080270 [1,0,0,1,0,0|0,0,2]=4 1132 B11R1.180 C=CCCC[C@@H]1CCC[C@@H]1O Amb27989516 [1,0,0,1,0,0|0,0,0]=2 1133 B11R1.180 C=CCCC[C@@H]1CCC[C@H]1O Amb26999456 [1,0,0,1,0,0|0,0,0]=2 1134 B11R1.180 C=CCCC[C@@H]1CNC[C@H]1O Amb33212961 [1,0,0,1,0,0|1,0,0]=3 1135 B11R1.180 C=CCCC[C@@H]1COC[C@H]1O Amb32950763 [1,0,0,1,0,0|1,0,0]=3 1136 B11R1.180 C=CCCNC1CCCC1C Amb27266961 [1,0,0,1,0,0|1,0,0]=3 1137 B11R1.180 C=CCCNC1COCC1O Amb27988122 [1,0,0,1,0,0|2,0,0]=4 1138 B11R1.180 C=CCCNC1CSCC1C Amb27670983 [1,0,0,1,0,0|2,0,0]=4 1139 B11R1.180 C=CCCN[C@@H]1CCC[C@H]1O Amb27266973 [1,0,0,1,0,0|1,0,0]=3 1140 B11R1.180 C=CCCN[C@@H]1CCO[C@@H]1C Amb28387239 [1,0,0,1,0,0|2,0,0]=4 1141 B11R1.180 C=CCCN[C@@H]1COC[C@H]1O Amb27674020 [1,0,0,1,0,0|2,0,0]=4 1142 B11R1.180 C=CCCN[C@H]1CCC[C@@H]1O Amb28079994 [1,0,0,1,0,0|1,0,0]=3 1143 B11R1.180 C=CCNCC1CCCC1Cl Amb27271600 [1,0,0,1,0,0|2,0,0]=4 1144 B11R1.180 C=CCNCC1CCCC1O Amb27271602 [1,0,0,1,0,0|1,0,0]=3 1145 B11R1.180 C=CCNCC1CCOC1C Amb27271440 [1,0,0,1,0,0|2,0,0]=4 1146 B11R1.180 C=CCOC[C@@H]1CCCN1O Amb24763099 [1,0,0,1,0,0|2,0,0]=4 1147 B11R1.180 CC1CCCC1NCCCO Amb24750431 [1,0,0,1,0,0|1,0,1]=4 1148 B11R1.180 CC1OCCC1CCCC=O Amb33426812 [1,0,0,1,0,0|2,0,0]=4 1149 B11R1.180 CCCCCC1CCCC1=O Amb534714 [1,0,0,1,0,0|1,0,0]=3 1150 B11R1.180 CCCCCC1CCCC1Br Amb27266930 [1,0,0,1,0,0|1,0,1]=4 1151 B11R1.180 CCCCCC1CCCC1O Amb18183110 [1,0,0,1,0,0|0,0,1]=3 1152 B11R1.180 CCCCCC1CCCN1C Amb27272323 [1,0,0,1,0,0|1,0,1]=4 1153 B11R1.180 CCCCCC1CNCC1O Amb32944704 [1,0,0,1,0,0|1,0,1]=4 1154 B11R1.180 CCCCCC1COCC1=O Amb27672690 [1,0,0,1,0,0|2,0,0]=4 1155 B11R1.180 CCCCCC1COCC1O Amb32945486 [1,0,0,1,0,0|1,0,1]=4 1156 B11R1.180 CCCCCC1OCCC1O Amb27673890 [1,0,0,1,0,0|1,0,1]=4 1157 B11R1.180 CCCCCN1CCCC1=O Amb20621968 [1,0,0,1,0,0|2,0,0]=4 1158 B11R1.180 CCCCC[C@@H]1CCC[C@H]1O Amb26659964 [1,0,0,1,0,0|0,0,1]=3 1159 B11R1.180 CCCCC[C@@H]1CNC[C@H]1O Amb32945391 [1,0,0,1,0,0|1,0,1]=4 1160 B11R1.180 CCCCC[C@@H]1COC[C@H]1O Amb32945059 [1,0,0,1,0,0|1,0,1]=4 1161 B11R1.180 CCCCC[C@@H]1OCC[C@H]1O Amb27989725 [1,0,0,1,0,0|1,0,1]=4 1162 B11R1.180 CCCCNC1CCCC1O Amb18303638 [1,0,0,1,0,0|1,0,1]=4 1163 B11R1.180 CCCCN[C@@H]1CCC[C@H]1O Amb27266974 [1,0,0,1,0,0|1,0,1]=4 1164 B11R1.180 CCCCN[C@H]1CCC[C@@H]1O Amb27988011 [1,0,0,1,0,0|1,0,1]=4 1165 B11R1.180 CCCCOC1CCCC1O Amb18799957 [1,0,0,1,0,0|1,0,1]=4 1166 B11R1.180 CCCNCC1CCCC1O Amb27271525 [1,0,0,1,0,0|1,0,1]=4 1167 B11R1.180 CCCOCC1CCCC1=O Amb27987801 [1,0,0,1,0,0|2,0,0]=4 1168 B11R1.180 CCCOCC1CCCC1O Amb27987798 [1,0,0,1,0,0|1,0,1]=4 1169 B11R1.180 CCCOC[C@@H]1CCC[C@H]1O Amb32944526 [1,0,0,1,0,0|1,0,1]=4 1170 B11R1.180 CCOCCC1CCCC1O Amb18183285 [1,0,0,1,0,0|1,0,1]=4 1171 B11R1.180 CCSCCC1CCCC1=O Amb27269774 [1,0,0,1,0,0|2,0,0]=4 1172 B11R1.180 CCSCCC1CCCC1O Amb27986369 [1,0,0,1,0,0|1,0,1]=4 1173 B11R1.180 CN1CCCC1CCCC=O Amb33320340 [1,0,0,1,0,0|2,0,0]=4 1174 B11R1.180 CN1CCCC1CCCCO Amb24750381 [1,0,0,1,0,0|1,0,1]=4 1175 B11R1.180 COCCCC1CCCC1O Amb18183284 [1,0,0,1,0,0|1,0,1]=4 1176 B11R1.180 COCCC[C@@H]1CCC[C@H]1O Amb32945571 [1,0,0,1,0,0|1,0,1]=4 1177 B11R1.180 CSCCCC1CCCC1O Amb27986370 [1,0,0,1,0,0|1,0,1]=4 1178 B11R1.180 NC1CCCC1SCCCO Amb27269748 [1,0,0,1,0,0|2,0,0]=4 1179 B11R1.180 NCCCNC1CCCC1O Amb18183300 [1,0,0,1,0,0|2,0,0]=4 1180 B11R1.180 NCCCN[C@@H]1CCC[C@H]1O Amb27266975 [1,0,0,1,0,0|2,0,0]=4 1181 B11R1.180 NCCCN[C@H]1CCC[C@@H]1O Amb27988012 [1,0,0,1,0,0|2,0,0]=4 1182 B11R1.180 NCCCSC1CCCC1O Amb27269752 [1,0,0,1,0,0|2,0,0]=4 1183 B11R1.180 O=C1CCCC1CCCCBr Amb27672177 [1,0,0,1,0,0|2,0,0]=4 1184 B11R1.180 O=C1CCCC1CCCCF Amb27267015 [1,0,0,1,0,0|2,0,0]=4 1185 B11R1.180 O=C1CCCC1CCCCO Amb27986534 [1,0,0,1,0,0|1,0,0]=3 1186 B11R1.180 O=C1CCCC1SCCCO Amb27271109 [1,0,0,1,0,0|2,0,0]=4 1187 B11R1.180 O=C1OCCC1CCCCO Amb27989920 [1,0,0,1,0,0|2,0,0]=4 1188 B11R1.180 OC1CSCC1CCCCF Amb27988245 [1,0,0,1,0,0|2,0,0]=4 1189 B11R1.180 OCCCCC1CCCC1O Amb28080690 [1,0,0,1,0,0|1,0,0]=3 1190 B11R1.180 OCCCNC1CCCC1O Amb18303311 [1,0,0,1,0,0|2,0,0]=4 1191 B11R1.180 OCCCN[C@@H]1CCC[C@H]1O Amb27266977 [1,0,0,1,0,0|2,0,0]=4 1192 B11R1.180 OCCCN[C@H]1CCC[C@@H]1O Amb27988014 [1,0,0,1,0,0|2,0,0]=4 1193 B11R1.180 OCCCSC1CCCC1O Amb27271107 [1,0,0,1,0,0|2,0,0]=4 1194 B11R1.180 OCCNCC1CCCC1O Amb27271603 [1,0,0,1,0,0|2,0,0]=4 1195 B11R1.180 O[C@@H]1CCC[C@H]1NCCCF Amb27266978 [1,0,0,1,0,0|2,0,0]=4 1196 B11R1.180 O[C@@H]1CNC[C@H]1CCCCF Amb32709332 [1,0,0,1,0,0|2,0,0]=4 1197 B11R1.180 O[C@H]1CCC[C@@H]1NCCCF Amb27988015 [1,0,0,1,0,0|2,0,0]=4 1198 B11R1.181 C=CCCCN1CCC1CN Amb33252359 [1,0,0,1,0,0|2,0,0]=4 1199 B11R1.181 CCC1CCC1CNCCO Amb32419822 [1,0,0,1,0,0|1,0,1]=4 1200 B11R1.190 C=C\C=C\CCC1CCC1O Amb33213244 [1,0,0,1,0,0|0,0,2]=4 1201 B11R1.190 CC1CCC1CNCCCO Amb32420109 [1,0,0,1,0,0|1,0,1]=4 1202 B11R1.203 BrCCCC1CCCCCC1 Amb25836156 [1,0,0,1,0,0|1,0,1]=4 1203 B11R1.203 C#CCCC1CCCCCC1 Amb32882184 [1,0,0,1,0,0|0,0,2]=4 1204 B11R1.203 C=CCCC1=CCCCCC1 Amb35711416 [1,0,0,1,0,0|0,0,2]=4 1205 B11R1.203 C=CCCC1CCCCCC1 Amb29865043 [1,0,0,1,0,0|0,0,0]=2 1206 B11R1.203 C=CCNC1CCCCCC1 Amb6683795 [1,0,0,1,0,0|1,0,0]=3 1207 B11R1.203 C=CCNC1CCCNCC1 Amb27868911 [1,0,0,1,0,0|2,0,0]=4 1208 B11R1.203 C=CCNC1CCCOCC1 Amb28350672 [1,0,0,1,0,0|2,0,0]=4 1209 B11R1.203 C=CCNC1CCCSCC1 Amb35692802 [1,0,0,1,0,0|2,0,0]=4 1210 B11R1.203 C=CCSC1CCCNCC1 Amb27865787 [1,0,0,1,0,0|2,0,0]=4 1211 B11R1.203 CCCCC1CCNCCO1 Amb32679926 [1,0,0,1,0,0|1,0,1]=4 1212 B11R1.203 CNCCC1CCCCCC1 Amb26457524 [1,0,0,1,0,0|1,0,1]=4 1213 B11R1.203 ClCCCC1OCCCCO1 Amb28396626 [1,0,0,1,0,0|2,0,0]=4 1214 B11R1.203 N#CCCC1CCCCCC1 Amb26050765 [1,0,0,1,0,0|1,0,1]=4 1215 B11R1.203 NCCCC1=CCCCCC1 Amb27463491 [1,0,0,1,0,0|1,0,1]=4 1216 B11R1.203 NCCCC1CCCCCC1 Amb25113900 [1,0,0,1,0,0|1,0,1]=4 1217 B11R1.203 NOCCC1CCCCCC1 Amb33267300 [1,0,0,1,0,0|2,0,0]=4 1218 B11R1.203 O=CCCC1C=CCCCC1 Amb27176435 [1,0,0,1,0,0|0,0,2]=4 1219 B11R1.203 O=CCCC1CCCCCC1 Amb26946978 [1,0,0,1,0,0|1,0,0]=3 1220 B11R1.203 O=CCOC1CCCCCC1 Amb18183074 [1,0,0,1,0,0|2,0,0]=4 1221 B11R1.203 O=CNCC1CCCCCC1 Amb28193191 [1,0,0,1,0,0|2,0,0]=4 1222 B11R1.203 OCCCC1CCCCCC1 Amb26928808 [1,0,0,1,0,0|0,0,1]=3 1223 B11R1.203 OCCCC1CCCCCN1 Amb18199937 [1,0,0,1,0,0|1,0,0]=3 1224 B11R1.203 OCCCC1CCCCCO1 Amb27218605 [1,0,0,1,0,0|1,0,0]=3 1225 B11R1.203 OCCCC1CCCCNC1 Amb27241624 [1,0,0,1,0,0|1,0,1]=4 1226 B11R1.203 OCCCC1CCCNCC1 Amb23453247 [1,0,0,1,0,0|1,0,1]=4 1227 B11R1.203 OCCCN1CCCCCC1 Amb31188130 [1,0,0,1,0,0|1,0,1]=4 1228 B11R1.203 OCCCN1CCCCCC1 Amb8503314 [1,0,0,1,0,0|1,0,1]=4 1229 B11R1.203 OCCC[C@H]1C=CCCCC1 Amb27662385 [1,0,0,1,0,0|0,0,0]=2 1230 B11R1.203 OCCNC1CCCCCC1 Amb28960309 [1,0,0,1,0,0|1,0,1]=4 1231 B11R1.203 OCCNC1CCCCCC1 Amb9203172 [1,0,0,1,0,0|1,0,1]=4 1232 B11R1.203 OCCOC1CCCCCC1 Amb18799958 [1,0,0,1,0,0|1,0,1]=4 1233 B11R1.203 OCCSC1CCCCCC1 Amb28401295 [1,0,0,1,0,0|1,0,1]=4 1234 B11R1.203 SCCCC1CCCCCC1 Amb32881853 [1,0,0,1,0,0|0,1,1]=4 1235 B11R1.203 [C-]#[N+]CCC1CCCCCC1 Amb28071396 [1,0,0,1,0,0|1,0,1]=4 1236 B11R1.248 C=CC1CCCCNCCC1 Amb27635206 [1,0,0,1,0,0|1,0,0]=3 1237 B11R1.248 NCC1CCCCCCCC1 Amb27645281 [1,0,0,1,0,0|1,0,1]=4 1238 B11R1.248 O=CC1CCCCCCCC1 Amb27215402 [1,0,0,1,0,0|1,0,0]=3 1239 B11R1.248 OCC1CCCCCCCN1 Amb27463499 [1,0,0,1,0,0|1,0,0]=3 1240 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [0,1,0,1,0,0|2,0,0]=4 1241 B13R1.119 CCCCCCCCC1OCCO1 Amb22364938 [0,1,0,1,0,0|0,0,2]=4 1242 B13R1.229 OCCC1=CCCCCCCCC1 Amb28281926 [0,1,0,1,0,0|0,0,1]=3 1243 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,1,0,1,0,0|1,0,1]=4 1244 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,1,0,1,0,0|1,0,1]=4 1245 B13R1.279 O=C1CNCCCCCCCCN1 Amb27240963 [0,1,0,1,0,0|2,0,0]=4 1246 B13R1.279 OC1CCCCCCCCCCC1 Amb532972 [0,1,0,1,0,0|0,0,2]=4 1247 B13R1.289 CC1CCCCCCCCC(=O)N1 Amb28365005 [0,1,0,1,0,0|2,0,0]=4 1248 B13R1.404 C=CCC(O)CCCC1OCCO1 Amb27188026 [0,1,0,1,0,0|1,0,0]=3 1249 B13R1.463 C=CCC(C)C1CCCCCC1O Amb32945165 [0,1,0,1,0,0|0,0,0]=2 1250 B13R1.463 C=CCC(C)[C@@H]1CCCCC[C@H]1O Amb32950288 [0,1,0,1,0,0|0,0,0]=2 1251 B13R1.463 C=CCC(O)C1CCCCCC1N Amb35622444 [0,1,0,1,0,0|1,0,0]=3 1252 B13R1.463 CCCC(C)C1CCCCCC1O Amb24410525 [0,1,0,1,0,0|0,0,2]=4 1253 B13R1.463 CCCC(C)[C@@H]1CCCCC[C@H]1O Amb32945557 [0,1,0,1,0,0|0,0,2]=4 1254 B13R1.463 CCCC(N)C1CCCCCC1O Amb35593179 [0,1,0,1,0,0|0,0,2]=4 1255 B13R1.463 CCCC(O)C1CCCCCC1O Amb28428030 [0,1,0,1,0,0|0,0,2]=4 1256 B13R1.463 CN(CCO)C1CCCCCC1=O Amb18323283 [0,1,0,1,0,0|2,0,0]=4 1257 B13R1.470 C=CCC(=O)N[C@H]1CCCC[C@@H]1O Amb27953377 [0,1,0,1,0,0|1,0,1]=4 1258 B13R1.470 CCCC(C)CC1CCCCC1O Amb18328656 [0,1,0,1,0,0|0,0,2]=4 1259 B13R1.470 CCCC(C)C[C@@H]1CCCC[C@H]1O Amb32945426 [0,1,0,1,0,0|0,0,2]=4 1260 B13R1.603 C=CC1CCCCCCC=CC1O Amb27605344 [0,1,0,1,0,0|0,0,1]=3 1261 B13R1.603 C=C[C@@H]1CCCCCCC=C[C@@H]1O Amb27853925 [0,1,0,1,0,0|0,0,1]=3 1262 B13R1.603 N#CC1CCCCCCCCC1O Amb27947012 [0,1,0,1,0,0|0,0,2]=4 1263 B13R1.603 O\N=C1/CCCCCCCCC1Cl Amb27587280 [0,1,0,1,0,0|2,0,0]=4 1264 B13R1.632 CN1CCCC=CC(CO)CCC1 Amb27594659 [0,1,0,1,0,0|1,0,0]=3 1265 B13R1.654 CCCCCCCC1CCCC1=O Amb533700 [0,1,0,1,0,0|1,0,1]=4 1266 B13R1.1293 C=CCC1(O)CCCCCC1CC Amb35721146 [0,1,0,1,0,0|1,0,0]=3 1267 B13R1.1293 CCC1CCCCCC1(N)CCO Amb35681119 [0,1,0,1,0,0|0,0,2]=4 1268 B13R1.1293 CCC1CCCCCC1(O)CC=O Amb35725689 [0,1,0,1,0,0|2,0,0]=4 1269 B13R1.1464 C=CCC(N)C1CCCCCCC1 Amb27794115 [0,1,0,1,0,0|1,0,0]=3 1270 B13R1.1464 C=CCC(O)C1CCCCCCC1 Amb28125228 [0,1,0,1,0,0|1,0,0]=3 1271 B13R1.1464 C=CCN(C)C1CCCCCCC1 Amb27485649 [0,1,0,1,0,0|2,0,0]=4 1272 B13R1.1464 CCCC(N)C1C=CCCCCC1 Amb29870017 [0,1,0,1,0,0|1,0,0]=3 1273 B13R1.1464 CN(CCO)C1C=CCCCCC1 Amb27400909 [0,1,0,1,0,0|1,0,0]=3 1274 B13R1.1464 O=CCC(O)C1CCCCCCC1 Amb28453617 [0,1,0,1,0,0|2,0,0]=4 1275 B13R1.1575 NC(CCO)CC1CCCCCC1 Amb32946519 [0,1,0,1,0,0|0,0,2]=4 1276 B13R1.1650 C=CCCC1CCCC(=O)CC1O Amb27775846 [0,1,0,1,0,0|0,0,1]=3 1277 B13R1.3516 C=CCC[C@H]1CCC[C@@H](O)[C@H]1C#N Amb28053748 [0,1,0,1,0,0|1,0,1]=4 1278 B13R1.3516 N#CC1C(O)CCCC1CCCO Amb28061960 [0,1,0,1,0,0|1,0,1]=4 1279 B13R1.3516 N#C[C@@H]1[C@H](O)CCC[C@@H]1CCCO Amb28053749 [0,1,0,1,0,0|1,0,1]=4 1280 B13R1.9128 C=CCC1(O)CCCCCCC1=O Amb24417193 [0,1,0,1,0,0|0,0,2]=4 1281 B13R1.28 CCCCCCCN1CC=CCC1 Amb32428387 [0,1,0,1,0,0|2,0,0]=4 1282 B13R1.28 OCCCNCCC1=CCCCC1 Amb17309071 [0,1,0,1,0,0|0,0,2]=4 1283 B13R1.34 C#CCCCC1CCCCCC1O Amb24688460 [0,1,0,1,0,0|0,0,2]=4 1284 B13R1.34 C#CCCC[C@@H]1CCCCC[C@H]1O Amb32945796 [0,1,0,1,0,0|0,0,2]=4 1285 B13R1.34 C#CCCNC1CCCCCC1O Amb28249509 [0,1,0,1,0,0|0,0,2]=4 1286 B13R1.34 C=CCCCC1CCCCCC1O Amb32944831 [0,1,0,1,0,0|0,0,0]=2 1287 B13R1.34 C=CCCC[C@@H]1CCCCC[C@H]1O Amb32944362 [0,1,0,1,0,0|0,0,0]=2 1288 B13R1.34 CC#CCCC1CCCCCC1O Amb24463422 [0,1,0,1,0,0|0,0,2]=4 1289 B13R1.34 CC#CCC[C@@H]1CCCCC[C@H]1O Amb33213768 [0,1,0,1,0,0|0,0,2]=4 1290 B13R1.34 CC1CCCCCC1NC\C=C\Cl Amb28240137 [0,1,0,1,0,0|2,0,0]=4 1291 B13R1.34 CCCCCC1CCCCCC1O Amb18328651 [0,1,0,1,0,0|0,0,2]=4 1292 B13R1.34 CCCCC[C@@H]1CCCCC[C@H]1O Amb32950644 [0,1,0,1,0,0|0,0,2]=4 1293 B13R1.34 CCCOCC1CCCCCC1O Amb32950330 [0,1,0,1,0,0|0,0,2]=4 1294 B13R1.34 CCCOC[C@@H]1CCCCC[C@H]1O Amb32944327 [0,1,0,1,0,0|0,0,2]=4 1295 B13R1.34 COCCCC1CCCCCC1O Amb18329322 [0,1,0,1,0,0|0,0,2]=4 1296 B13R1.34 COCCC[C@@H]1CCCCC[C@H]1O Amb33213826 [0,1,0,1,0,0|0,0,2]=4 1297 B13R1.34 COCCOC1CCCCCC1O Amb18329912 [0,1,0,1,0,0|1,0,1]=4 1298 B13R1.34 C\C=C\COC1CCCCCC1O Amb35695546 [0,1,0,1,0,0|1,0,0]=3 1299 B13R1.84 C\C=C\C=C\C1CCCCC1CO Amb27432157 [0,1,0,1,0,0|0,0,2]=4 1300 B13R1.84 C\C=C\C=C\[C@@H]1CCCC[C@@H]1CO Amb27452453 [0,1,0,1,0,0|0,0,2]=4 1301 B13R1.154 C=CCOC1CCC=CCCC1O Amb28185126 [0,1,0,1,0,0|0,0,2]=4 1302 B13R1.154 C=CCOC1CCCCCCC1N Amb35710305 [0,1,0,1,0,0|1,0,0]=3 1303 B13R1.154 C=CCSC1CCCCCCC1N Amb27592675 [0,1,0,1,0,0|1,0,0]=3 1304 B13R1.154 CCCCC1C=CCCCCC1O Amb27605305 [0,1,0,1,0,0|1,0,0]=3 1305 B13R1.154 CCCO[C@@H]1CCCCCC[C@H]1O Amb27431426 [0,1,0,1,0,0|0,0,2]=4 1306 B13R1.154 N#CCCC1CCCCCCC1=O Amb27599377 [0,1,0,1,0,0|2,0,0]=4 1307 B13R1.154 NC1CCCCCCC1SCCO Amb28143476 [0,1,0,1,0,0|1,0,1]=4 1308 B13R1.203 CC1CCCCCCCCCC1O Amb27650320 [0,1,0,1,0,0|0,0,2]=4 1309 B13R1.203 C[C@@H]1CCCCCCCCC[C@H]1O Amb27432179 [0,1,0,1,0,0|0,0,2]=4 1310 B13R1.203 O=C1CCCCCCCCCC1O Amb28282020 [0,1,0,1,0,0|0,0,1]=3 1311 B13R1.203 O[C@@H]1CCCCCCCCC[C@H]1O Amb27970887 [0,1,0,1,0,0|0,0,2]=4 1312 B13R1.203 O[C@H]1CCCCCCCCC[C@H]1O Amb28190320 [0,1,0,1,0,0|0,0,2]=4 1313 B13R1.378 O=C1CCCCCCCN1CCBr Amb30013843 [0,1,0,1,0,0|2,0,0]=4 1314 B13R1.378 O=C1CCCCCCCN1CCCl Amb30013842 [0,1,0,1,0,0|2,0,0]=4 1315 B13R1.378 O=C1CCCCCCCN1CCS Amb30014000 [0,1,0,1,0,0|1,1,0]=4 1316 B13R1.485 CNCCN1CCCCC1CCO Amb18319356 [0,1,0,1,0,0|1,0,1]=4 1317 B13R1.485 OCCC1CCCCN1CCCCl Amb20573209 [0,1,0,1,0,0|1,0,1]=4 1318 B13R1.485 OCCCN1CCCCC1CCO Amb9247518 [0,1,0,1,0,0|1,0,1]=4 1319 B13R1.489 OCCCN1CCCCCCCC1 Amb28188265 [0,1,0,1,0,0|0,0,2]=4 1320 B13R1.555 C=C\C=C\CCC1CCCCC1O Amb32945799 [0,1,0,1,0,0|0,0,1]=3 1321 B13R1.555 C=C\C=C\CC[C@@H]1CCCC[C@H]1O Amb32945448 [0,1,0,1,0,0|0,0,1]=3 1322 B13R1.570 C#CCNC1CCCCCC1CO Amb28140565 [0,1,0,1,0,0|0,0,2]=4 1323 B13R1.570 C=CCSC1CCCCCC1C#N Amb27668312 [0,1,0,1,0,0|1,0,1]=4 1324 B13R1.570 C\C=C\CN1CCCCCC1CBr Amb27805854 [0,1,0,1,0,0|2,0,0]=4 1325 B13R1.570 C\C=C\CN1CCCCCC1CC Amb27449087 [0,1,0,1,0,0|2,0,0]=4 1326 B13R1.570 C\C=C\CN1CCCCCC1CCl Amb27397446 [0,1,0,1,0,0|2,0,0]=4 1327 B13R1.570 Cl\C=C\CN1CCCCCC1CBr Amb27866105 [0,1,0,1,0,0|2,0,0]=4 1328 B13R1.570 N#CC1CCCCCC1SCCO Amb9481904 [0,1,0,1,0,0|1,0,1]=4 1329 B13R1.570 N#CCCN1CCCCCC1CO Amb27796810 [0,1,0,1,0,0|1,0,1]=4 1330 B13R1.623 COC1=NCCCCCCCCC1 Amb33621275 [0,1,0,1,0,0|1,0,1]=4 1331 B13R1.623 OCC1C=CCCCCCCCC1 Amb27651764 [0,1,0,1,0,0|0,0,0]=2 1332 B13R1.623 OCC1CCCCCCCCCC1 Amb27259064 [0,1,0,1,0,0|0,0,2]=4 1333 B13R1.659 CCCCCCCCCCC1CO1 Amb6600546 [0,1,0,1,0,0|0,0,2]=4 1334 B13R1.659 O=CCCCCCCCCC1CC1 Amb33167105 [0,1,0,1,0,0|1,0,1]=4 1335 B13R1.659 OCCCCCCCCCC1CC1 Amb32992804 [0,1,0,1,0,0|0,0,2]=4 1336 B13R1.1150 OCCCNC1CCCCCCC1 Amb6733582 [0,1,0,1,0,0|0,0,2]=4 1337 B13R1.486 O=C1CCCCCC(CCCO)N1 Amb18191307 [0,1,0,1,0,0|1,0,0]=3 1338 B13R1.666 C=CC1CCCC(NCCCC)C1 Amb33189027 [0,1,0,1,0,0|2,0,0]=4 1339 B13R1.1604 C=CCCN1CC(C)CCCC1C Amb27970726 [0,1,0,1,0,0|2,0,0]=4 1340 B13R1.1627 C=C1CCCCC(O)C1CCCC Amb27456456 [0,1,0,1,0,0|1,0,0]=3 1341 B13R1.1627 C=C1CCCC[C@@H](O)[C@@H]1CCCC Amb27792971 [0,1,0,1,0,0|1,0,0]=3 1342 B13R1.3803 O=C1CCCCCC(O)CCCO1 Amb28205496 [0,1,0,1,0,0|1,0,0]=3 1343 B13R1.44 C=CCNC(C)CC1CCCCC1 Amb33068316 [0,1,0,1,0,0|2,0,0]=4 1344 B13R1.153 C=CCCN(C)CCC1OCCO1 Amb27809396 [0,1,0,1,0,0|2,0,0]=4 1345 B13R1.615 C=C=C1CCCCCCCC(O)C1 Amb27457686 [0,1,0,1,0,0|0,0,2]=4 1346 B13R1.674 COCCC(C)C1CCCCC1O Amb32945358 [0,1,0,1,0,0|1,0,1]=4 1347 B13R1.674 COCCC(C)[C@@H]1CCCC[C@H]1O Amb32944235 [0,1,0,1,0,0|1,0,1]=4 1348 B13R1.1944 COC1CCCCC1(O)CCCO Amb26304264 [0,1,0,1,0,0|1,0,1]=4 1349 B13R1.1958 C=CCCC1(O)CCCCCC1C Amb35721278 [0,1,0,1,0,0|1,0,0]=3 1350 B13R1.1958 CC1CCCCCC1(O)CCC=O Amb35725692 [0,1,0,1,0,0|2,0,0]=4 1351 B13R1.1959 C=CCCC1(N)CCCCCCC1 Amb35615128 [0,1,0,1,0,0|1,0,0]=3 1352 B13R1.1959 NC1(CCCO)CCCCCCC1 Amb35626964 [0,1,0,1,0,0|0,0,2]=4 1353 B13R1.158 CC(=O)NCCC1CCCCC1O Amb33229060 [0,1,0,1,0,0|1,0,1]=4 1354 B13R1.158 CC(C)=CCCC1CCCCC1O Amb32950880 [0,1,0,1,0,0|0,0,2]=4 1355 B13R1.158 CC(C)=CCC[C@@H]1CCCC[C@H]1O Amb33213211 [0,1,0,1,0,0|0,0,2]=4 1356 B13R1.158 CC(C)CCCC1CCCCC1O Amb32951019 [0,1,0,1,0,0|0,0,2]=4 1357 B13R1.158 CC(C)CCC[C@@H]1CCCC[C@H]1O Amb32944405 [0,1,0,1,0,0|0,0,2]=4 1358 B13R1.158 CN(C)CCCC1CCCCC1O Amb32944656 [0,1,0,1,0,0|1,0,1]=4 1359 B13R1.158 CN(C)CCC[C@@H]1CCCC[C@H]1O Amb32950392 [0,1,0,1,0,0|1,0,1]=4 1360 B13R1.158 O=C(O)CCCC1CCCCC1=O Amb17594755 [0,1,0,1,0,0|1,0,1]=4 1361 B13R1.158 OC1CCCCC1CCCC(F)F Amb32950299 [0,1,0,1,0,0|1,0,1]=4 1362 B13R1.158 O[C@@H]1CCCC[C@H]1CCCC(F)F Amb32944183 [0,1,0,1,0,0|1,0,1]=4 1363 B13R1.224 C=CCC1CCCCCC1C(=O)O Amb28423343 [0,1,0,1,0,0|0,0,1]=3 1364 B13R1.280 C=C(C)CCC1CCCCCC1N Amb27865273 [0,1,0,1,0,0|1,0,0]=3 1365 B13R1.280 C=C(C)CCC1CCCCCC1O Amb26330320 [0,1,0,1,0,0|0,0,0]=2 1366 B13R1.280 C=C(C)CC[C@@H]1CCCCC[C@H]1O Amb33213344 [0,1,0,1,0,0|0,0,0]=2 1367 B13R1.280 C=C(C)CNC1CCCCCC1C Amb27181020 [0,1,0,1,0,0|2,0,0]=4 1368 B13R1.280 C=C(Cl)COC1CCCCCC1N Amb28071720 [0,1,0,1,0,0|2,0,0]=4 1369 B13R1.280 CC(C)=CCC1CCCCCC1O Amb19074198 [0,1,0,1,0,0|0,0,2]=4 1370 B13R1.280 CC(C)CCC1CCCCCC1O Amb18328653 [0,1,0,1,0,0|0,0,2]=4 1371 B13R1.280 CC(C)CC[C@@H]1CCCCC[C@H]1O Amb33213550 [0,1,0,1,0,0|0,0,2]=4 1372 B13R1.280 CC(O)CCC1CCCCNC1=O Amb25153793 [0,1,0,1,0,0|2,0,0]=4 1373 B13R1.280 CC(O)CCN1CCCCCC1=O Amb19075285 [0,1,0,1,0,0|2,0,0]=4 1374 B13R1.280 NC(=O)CSC1CCCCCC1O Amb27394341 [0,1,0,1,0,0|2,0,0]=4 1375 B13R1.280 O=C(O)CCC1CCCCCC1=O Amb18822898 [0,1,0,1,0,0|1,0,1]=4 1376 B13R1.280 O=C(O)CC[C@H]1CCCCCC1=O Amb28366204 [0,1,0,1,0,0|1,0,1]=4 1377 B13R1.280 O=C(O)CNC1CCCCCC1O Amb28315346 [0,1,0,1,0,0|2,0,0]=4 1378 B13R1.280 O=C(O)CSC1CCCCCC1O Amb27401645 [0,1,0,1,0,0|2,0,0]=4 1379 B13R1.280 OC1CCCCCC1CC=C(Cl)Cl Amb35729781 [0,1,0,1,0,0|1,0,1]=4 1380 B13R1.283 C=C1CCCCCCC1CN(C)C Amb6360183 [0,1,0,1,0,0|2,0,0]=4 1381 B13R1.283 CC(=O)OC1CCCCCCC1O Amb28146133 [0,1,0,1,0,0|1,0,1]=4 1382 B13R1.283 CC(=O)O[C@@H]1CCCCCC[C@H]1O Amb27447910 [0,1,0,1,0,0|1,0,1]=4 1383 B13R1.283 CC(O)CN1CCCCCCC1=O Amb19057980 [0,1,0,1,0,0|2,0,0]=4 1384 B13R1.283 CN(C)CC1CCCCCCC1O Amb27484819 [0,1,0,1,0,0|1,0,1]=4 1385 B13R1.283 NC1CCCCCCC1CC(=O)O Amb32863475 [0,1,0,1,0,0|2,0,0]=4 1386 B13R1.337 O=C(O)CCCCC1CCCCC1 Amb22336378 [0,1,0,1,0,0|2,0,0]=4 1387 B13R1.337 O=C(O)CCCCC1CCCCN1 Amb32430376 [0,1,0,1,0,0|2,0,0]=4 1388 B13R1.343 C=C(C)CCCCCC1OCCO1 Amb27413105 [0,1,0,1,0,0|1,0,0]=3 1389 B13R1.343 O=C(O)CCCCCC1CCCC1 Amb33172440 [0,1,0,1,0,0|2,0,0]=4 1390 B13R1.380 O=C(O)CN1CCCCC1CCO Amb6651199 [0,1,0,1,0,0|2,0,0]=4 1391 B13R1.610 C=C(Cl)CN1CCCCCC1CO Amb27403953 [0,1,0,1,0,0|1,0,0]=3 1392 B13R1.610 CCC1CCCCCC1CC(=O)O Amb35721706 [0,1,0,1,0,0|2,0,0]=4 1393 B13R1.610 NC(=O)CN1CCCCCC1CO Amb27810697 [0,1,0,1,0,0|2,0,0]=4 1394 B13R1.610 NC(=O)NC1CCCCCC1CO Amb28182914 [0,1,0,1,0,0|2,0,0]=4 1395 B13R1.614 C=CC1CCCCCCC1C(=O)O Amb27872195 [0,1,0,1,0,0|0,0,1]=3 1396 B13R1.668 C#CCCCC1CCCCC1(C)O Amb32950631 [0,1,0,1,0,0|0,0,2]=4 1397 B13R1.668 C#CCCC[C@@H]1CCCC[C@@]1(C)O Amb33213409 [0,1,0,1,0,0|0,0,2]=4 1398 B13R1.668 C=CCCCC1CCCCC1(C)O Amb32944866 [0,1,0,1,0,0|0,0,0]=2 1399 B13R1.668 C=CCCC[C@@H]1CCCC[C@@]1(C)O Amb33213934 [0,1,0,1,0,0|0,0,0]=2 1400 B13R1.668 CCCCCC1CCCCC1(C)O Amb32945009 [0,1,0,1,0,0|0,0,2]=4 1401 B13R1.668 CCCCC[C@@H]1CCCC[C@@]1(C)O Amb32944703 [0,1,0,1,0,0|0,0,2]=4 1402 B13R1.668 COCCCC1CCCCC1(C)O Amb33507139 [0,1,0,1,0,0|1,0,1]=4 1403 B13R1.668 COCCC[C@@H]1CCCC[C@@]1(C)O Amb32950635 [0,1,0,1,0,0|1,0,1]=4 1404 B13R1.1009 O=C(O)C1CCCCCCCCN1 Amb27392275 [0,1,0,1,0,0|2,0,0]=4 1405 B13R1.1022 C=C(C)CNC1CCCCCCC1 Amb17308786 [0,1,0,1,0,0|2,0,0]=4 1406 B13R1.1022 CC(N)COC1C=CCCCCC1 Amb35735015 [0,1,0,1,0,0|2,0,0]=4 1407 B13R1.1022 CC(O)CNC1C=CCCCCC1 Amb27463864 [0,1,0,1,0,0|1,0,0]=3 1408 B13R1.1022 O=C(O)CCC1CCCCCCC1 Amb27605503 [0,1,0,1,0,0|2,0,0]=4 1409 B13R1.1022 O=C(O)COC1C=CCCCCC1 Amb27268143 [0,1,0,1,0,0|1,0,1]=4 1410 B13R1.1052 O=C(O)CCCCCCCC1CC1 Amb33167110 [0,1,0,1,0,0|2,0,0]=4 1411 B13R1.1988 O=C(O)CCCC1CCCCCC1 Amb33470260 [0,1,0,1,0,0|2,0,0]=4 1412 B13R1.91 C=CC(=O)NC1CCCCC1CO Amb27444551 [0,1,0,1,0,0|1,0,1]=4 1413 B13R1.527 C=CC(C)OC1CCCCCC1N Amb28324632 [0,1,0,1,0,0|2,0,0]=4 1414 B13R1.527 CC(CO)CC1CCCCCC1O Amb27163518 [0,1,0,1,0,0|1,0,1]=4 1415 B13R1.527 CC(CO)CC1CCCCNC1=O Amb25155659 [0,1,0,1,0,0|2,0,0]=4 1416 B13R1.527 CC(CO)CN1CCCCCC1=O Amb28059333 [0,1,0,1,0,0|2,0,0]=4 1417 B13R1.527 CCC(C)CC1CCCCCC1O Amb18328654 [0,1,0,1,0,0|0,0,2]=4 1418 B13R1.527 CCC(C)C[C@@H]1CCCCC[C@H]1O Amb32945789 [0,1,0,1,0,0|0,0,2]=4 1419 B13R1.527 O=C1NCCCCC1CC(O)CO Amb25198223 [0,1,0,1,0,0|2,0,0]=4 1420 B13R1.546 CCC(O)C1CCCCCCC1=O Amb28455106 [0,1,0,1,0,0|2,0,0]=4 1421 B13R1.611 CC(C=O)N1CCCCCC1CO Amb35647410 [0,1,0,1,0,0|2,0,0]=4 1422 B13R1.1870 CC(CO)NC1C=CCCCCC1 Amb27875023 [0,1,0,1,0,0|1,0,0]=3 1423 B13R1.1917 CC1CCCCN(CCCO)C1=O Amb28064183 [0,1,0,1,0,0|2,0,0]=4 1424 B13R1.3115 NC1(CO)CCCCCCCCC1 Amb27394230 [0,1,0,1,0,0|0,0,2]=4 1425 B13R2.1 O=CC[C@@H]1CC[C@H]2CCCC=C12 Amb28349299 [0,0,0,2,0,0|0,0,2]=4 1426 B13R2.1 O=CC[C@H]1CC[C@H]2CCCC=C12 Amb27194362 [0,0,0,2,0,0|0,0,2]=4 1427 B13R2.1 OCCC1CCC2CCCCC12 Amb27462630 [0,0,0,2,0,0|0,0,2]=4 1428 B13R2.1 OCCC1CNC2CCCCC12 Amb26371944 [0,0,0,2,0,0|1,0,1]=4 1429 B13R2.1 OCCC1CO[C@@H]2CCCC[C@H]12 Amb27422244 [0,0,0,2,0,0|1,0,1]=4 1430 B13R2.3 C1=CC(C2C=CCCC2)CCC1 Amb6359712 [0,0,0,2,0,0|1,0,1]=4 1431 B13R2.3 C1=NCCCC1C2CCCCN2 Amb27778529 [0,0,0,2,0,0|2,0,0]=4 1432 B13R2.3 C1=NCCC[C@H]1[C@@H]2CCCCN2 Amb27858892 [0,0,0,2,0,0|2,0,0]=4 1433 B13R2.3 C1CCC(C2CCCCO2)NC1 Amb26595528 [0,0,0,2,0,0|1,0,1]=4 1434 B13R2.3 C1CCC(C2CCCCO2)OC1 Amb4007486 [0,0,0,2,0,0|1,0,1]=4 1435 B13R2.3 C1CCC(C2CCCNC2)OC1 Amb25377354 [0,0,0,2,0,0|1,0,1]=4 1436 B13R2.3 C1CCC(C2CCCNC2)OC1 Amb28775459 [0,0,0,2,0,0|1,0,1]=4 1437 B13R2.6 O=CC1CCCC12CCCCC2 Amb27984133 [0,0,0,2,0,0|2,0,0]=4 1438 B13R2.6 OCC1CCCC12CCCCC2 Amb24415504 [0,0,0,2,0,0|0,0,2]=4 1439 B13R2.6 OCC1CCCC12CCCOC2 Amb33494133 [0,0,0,2,0,0|1,0,1]=4 1440 B13R2.14 O=C1CCCCC12C=CCCC2 Amb28381159 [0,0,0,2,0,0|0,0,2]=4 1441 B13R2.14 O=C1CCCCC12CCCCC2 Amb28250100 [0,0,0,2,0,0|2,0,0]=4 1442 B13R2.14 O=C1CCCCC12CCCCO2 Amb32655154 [0,0,0,2,0,0|1,0,0]=3 1443 B13R2.14 OC1CCCCC12CCCCN2 Amb28422402 [0,0,0,2,0,0|1,0,1]=4 1444 B13R2.14 OC1CCCCC12CCCNC2 Amb18647219 [0,0,0,2,0,0|1,0,1]=4 1445 B13R2.14 OC1CCCC[C@]12CCCNC2 Amb27402695 [0,0,0,2,0,0|1,0,1]=4 1446 B13R2.14 O[C@@H]1CCCC[C@@]12CCCNC2 Amb24629733 [0,0,0,2,0,0|1,0,1]=4 1447 B13R2.14 O[C@H]1CCCCC12CCCNC2 Amb27407111 [0,0,0,2,0,0|1,0,1]=4 1448 B13R2.14 O[C@H]1CCCC[C@@]12CCCNC2 Amb28383910 [0,0,0,2,0,0|1,0,1]=4 1449 B13R2.15 O=C1CCCC1C2CCCCN2 Amb24602251 [0,0,0,2,0,0|2,0,0]=4 1450 B13R2.15 OC1CCCC1C2=CCCCC2 Amb32944892 [0,0,0,2,0,0|0,0,2]=4 1451 B13R2.15 OC1CCCC1C2=COCCC2 Amb32950111 [0,0,0,2,0,0|1,0,1]=4 1452 B13R2.15 OC1CCCC1C2CCCCC2 Amb18799275 [0,0,0,2,0,0|0,0,2]=4 1453 B13R2.15 OC1CCCC1C2CCCCN2 Amb26917051 [0,0,0,2,0,0|1,0,1]=4 1454 B13R2.15 O[C@@H]1CCC[C@H]1C2=CCCCC2 Amb32950115 [0,0,0,2,0,0|0,0,2]=4 1455 B13R2.15 O[C@@H]1CCC[C@H]1C2=COCCC2 Amb32950098 [0,0,0,2,0,0|1,0,1]=4 1456 B13R2.15 O[C@@H]1CCC[C@H]1C2CCCCC2 Amb25261897 [0,0,0,2,0,0|0,0,2]=4 1457 B13R2.15 O[C@@H]1CCC[C@H]1C2CCCCN2 Amb32944184 [0,0,0,2,0,0|1,0,1]=4 1458 B13R2.25 CNCC1CC1C2CCCCO2 Amb35581936 [0,0,0,2,0,0|1,0,1]=4 1459 B13R2.27 O=C1CCC1OC2CCCCO2 Amb27782000 [0,0,0,2,0,0|2,0,0]=4 1460 B13R2.27 OC1CCC1CC2CC=CCC2 Amb32950567 [0,0,0,2,0,0|0,0,2]=4 1461 B13R2.27 OC1CCC1CC2CCCCC2 Amb33213695 [0,0,0,2,0,0|0,0,2]=4 1462 B13R2.27 OC1CCC1CC2CCCOC2 Amb32944862 [0,0,0,2,0,0|1,0,1]=4 1463 B13R2.40 O=CCCC1CC12CCCCC2 Amb27211173 [0,0,0,2,0,0|2,0,0]=4 1464 B13R2.40 OCCCC1CC12CCCCC2 Amb27646833 [0,0,0,2,0,0|0,0,2]=4 1465 B13R2.40 OCCCC1CC12CCCNC2 Amb27877017 [0,0,0,2,0,0|1,0,1]=4 1466 B13R2.56 CCC1CCN1C2C=CCCC2 Amb27588176 [0,0,0,2,0,0|2,0,0]=4 1467 B13R2.64 C1=CC(OC2CCCO2)CCC1 Amb22752553 [0,0,0,2,0,0|1,0,0]=3 1468 B13R2.64 C1CCC(CC2CCCN2)OC1 Amb27787356 [0,0,0,2,0,0|1,0,1]=4 1469 B13R2.64 C1CCC(CC2CCNC2)OC1 Amb27881131 [0,0,0,2,0,0|1,0,1]=4 1470 B13R2.64 C1CNCC(CC2CCCO2)C1 Amb21959216 [0,0,0,2,0,0|1,0,1]=4 1471 B13R2.510 BrCCCC1CC2C=CC1CC2 Amb35714761 [0,0,0,2,0,0|1,0,0]=3 1472 B13R2.510 C=CCCC1CC2CCC1CC2 Amb35733801 [0,0,0,2,0,0|1,0,0]=3 1473 B13R2.510 CCNCC1CC2C=CC1CC2 Amb35714393 [0,0,0,2,0,0|2,0,0]=4 1474 B13R2.510 CCNC[C@@H]1C[C@@H]2C=C[C@H]1CC2 Amb29866372 [0,0,0,2,0,0|2,0,0]=4 1475 B13R2.510 CNCCC1CC2C=CC1CC2 Amb30012028 [0,0,0,2,0,0|2,0,0]=4 1476 B13R2.510 ClCCCC1CC2C=CC1CC2 Amb35714759 [0,0,0,2,0,0|1,0,0]=3 1477 B13R2.510 NCCCC1CC2C=CC1CC2 Amb30012195 [0,0,0,2,0,0|1,0,0]=3 1478 B13R2.510 NNCCC1CC2C=CC1CC2 Amb29866504 [0,0,0,2,0,0|2,0,0]=4 1479 B13R2.510 O=CCCC1CC2C=CC1CC2 Amb29866379 [0,0,0,2,0,0|0,0,2]=4 1480 B13R2.510 O=CCCC1CC2CCC1CC2 Amb35726283 [0,0,0,2,0,0|2,0,0]=4 1481 B13R2.510 OCCCC1CC2C=CC1CC2 Amb32945195 [0,0,0,2,0,0|0,0,0]=2 1482 B13R2.510 OCCCC1CC2CCC1CC2 Amb32945570 [0,0,0,2,0,0|0,0,2]=4 1483 B13R2.1028 C=CCCN1CC2CCCCC21 Amb28188044 [0,0,0,2,0,0|2,0,0]=4 1484 B13R2.1613 O=C[C@@H]1CCC[C@H]2CCCC[C@H]12 Amb28255713 [0,0,0,2,0,0|2,0,0]=4 1485 B13R2.1613 OCC1=C2CCCCC2CCC1 Amb27770889 [0,0,0,2,0,0|0,0,2]=4 1486 B13R2.1613 OCC1CCCC2CCCCC12 Amb27805191 [0,0,0,2,0,0|0,0,2]=4 1487 B13R2.1613 OCC1CCCC2CCCCN12 Amb25938044 [0,0,0,2,0,0|1,0,1]=4 1488 B13R2.1613 OCC1CNCC2CCCCC12 Amb27959012 [0,0,0,2,0,0|1,0,1]=4 1489 B13R2.1613 OC[C@@H]1CCC[C@H]2CCCN[C@H]21 Amb28052156 [0,0,0,2,0,0|1,0,1]=4 1490 B13R2.2383 C1CCC(CCC2CNC2)OC1 Amb30020316 [0,0,0,2,0,0|1,0,1]=4 1491 B13R2.3576 O=C1CCCCC2CCCC1C2 Amb27770112 [0,0,0,2,0,0|2,0,0]=4 1492 B13R2.5252 O=C1C=CCCC2CCCCC12 Amb28253747 [0,0,0,2,0,0|0,0,2]=4 1493 B13R2.5252 O=C1CCCC[C@H]2C=CCC[C@H]12 Amb27433095 [0,0,0,2,0,0|0,0,2]=4 1494 B13R2.5252 O=C1CCCC[C@H]2CCCC[C@@H]12 Amb28202238 [0,0,0,2,0,0|2,0,0]=4 1495 B13R2.5252 O=C1NCCCC2CCCCC12 Amb27413893 [0,0,0,2,0,0|2,0,0]=4 1496 B13R2.208 O=C1CCCCCC12CCCC2 Amb25202509 [0,0,0,2,0,0|2,0,0]=4 1497 B13R2.208 O=C1CCCCCC12OCCO2 Amb28313064 [0,0,0,2,0,0|2,0,0]=4 1498 B13R2.208 O=C1CCOCCC12CCCO2 Amb28141334 [0,0,0,2,0,0|2,0,0]=4 1499 B13R2.208 OC1CCCCCC12CCNC2 Amb18825880 [0,0,0,2,0,0|1,0,1]=4 1500 B13R2.383 C=C1CCC=C[C@@H]2[C@@H](O)CC[C@H]12 Amb28198286 [0,0,0,2,0,0|0,0,2]=4 1501 B13R2.383 C=C1CCC=C[C@H]2[C@@H]1CC[C@H]2O Amb27452454 [0,0,0,2,0,0|0,0,2]=4 1502 B13R2.383 C=C1CC[C@@H]2C(=O)CCCC[C@@H]12 Amb28198577 [0,0,0,2,0,0|0,0,2]=4 1503 B13R2.383 C=C1CC[C@@H]2C(=O)CCCC[C@H]12 Amb28052521 [0,0,0,2,0,0|0,0,2]=4 1504 B13R2.383 O=C1CCC2C(O)CCCCN12 Amb27207369 [0,0,0,2,0,0|2,0,0]=4 1505 B13R2.995 CCCCC1C(O)CC2CCC21 Amb28281858 [0,0,0,2,0,0|0,0,2]=4 1506 B13R2.1243 C=CCNC1CCC2CCC1O2 Amb27449599 [0,0,0,2,0,0|1,0,0]=3 1507 B13R2.1243 OCCCC1CCC2CC1CO2 Amb32950877 [0,0,0,2,0,0|1,0,1]=4 1508 B13R2.1318 CC1CCCCCC12CC2CO Amb35672762 [0,0,0,2,0,0|0,0,2]=4 1509 B13R2.1421 C=CC1CC2CCCCC1C2=O Amb27175831 [0,0,0,2,0,0|0,0,2]=4 1510 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 1511 B13R2.1421 CN1[C@H]2CCCC[C@@H]1[C@H](CO)C2 Amb27484640 [0,0,0,2,0,0|1,0,1]=4 1512 B13R2.1515 OCC1CC2CCCCCN2C1 Amb27959013 [0,0,0,2,0,0|1,0,1]=4 1513 B13R2.2438 CCCCC12CC1CCCC2O Amb28066040 [0,0,0,2,0,0|0,0,2]=4 1514 B13R2.2442 O=C1CC2CCCC12CCCCl Amb27408509 [0,0,0,2,0,0|2,0,0]=4 1515 B13R2.2453 CCCC[C@H]1C(=O)[C@H]2CCC[C@H]21 Amb28253723 [0,0,0,2,0,0|2,0,0]=4 1516 B13R2.3045 O=C1CCCCCC1CC2CC2 Amb27970302 [0,0,0,2,0,0|2,0,0]=4 1517 B13R2.3045 O=C1CCCCCN1CC2CO2 Amb6244103 [0,0,0,2,0,0|2,0,0]=4 1518 B13R2.3045 O=C1CCCCCN1C[C@@H]2CO2 Amb27978743 [0,0,0,2,0,0|2,0,0]=4 1519 B13R2.3045 OC1CCCCCC1CC2CC2 Amb27780752 [0,0,0,2,0,0|0,0,2]=4 1520 B13R2.3045 OC1CCCCCC1CC2CO2 Amb32944707 [0,0,0,2,0,0|1,0,1]=4 1521 B13R2.3045 O[C@@H]1CCCCC[C@H]1CC2CC2 Amb32950760 [0,0,0,2,0,0|0,0,2]=4 1522 B13R2.3045 O[C@@H]1CCCCC[C@H]1CC2CO2 Amb33213233 [0,0,0,2,0,0|1,0,1]=4 1523 B13R2.3689 OC1CCC2CCCCC1C2O Amb28318784 [0,0,0,2,0,0|1,0,1]=4 1524 B13R2.3689 O[C@H]1CC[C@@H]2CCCC[C@H]1[C@@H]2O Amb27857904 [0,0,0,2,0,0|1,0,1]=4 1525 B13R2.3729 O=C1CC[C@H]2CCCCC[C@@H]2N1 Amb27663610 [0,0,0,2,0,0|2,0,0]=4 1526 B13R2.3729 O=C1NC2CCCCCC2CO1 Amb27832446 [0,0,0,2,0,0|2,0,0]=4 1527 B13R2.3729 OC1CCC2CCCCCN2C1 Amb27816281 [0,0,0,2,0,0|1,0,1]=4 1528 B13R2.3729 OC1CC[C@@H]2CCCCC[C@@H]2C1 Amb27452059 [0,0,0,2,0,0|0,0,2]=4 1529 B13R2.3729 O[C@@H]1CC[C@@H]2CCCCCN2C1 Amb27814672 [0,0,0,2,0,0|1,0,1]=4 1530 B13R2.3729 O[C@@H]1CC[C@H]2CCCCCC2C1 Amb27980489 [0,0,0,2,0,0|0,0,2]=4 1531 B13R2.3729 O[C@@H]1CC[C@H]2CCCCC[C@@H]2C1 Amb27643513 [0,0,0,2,0,0|0,0,2]=4 1532 B13R2.3729 O[C@H]1CC[C@@H]2CCCCCN2C1 Amb27215998 [0,0,0,2,0,0|1,0,1]=4 1533 B13R2.3757 O=C1CCC2CCCCCC12O Amb27177968 [0,0,0,2,0,0|1,0,0]=3 1534 B13R2.4901 OC1CCCCCC1C2CCC2 Amb24566011 [0,0,0,2,0,0|0,0,2]=4 1535 B13R2.4901 OC1CCCCCC1C2CNC2 Amb32950650 [0,0,0,2,0,0|1,0,1]=4 1536 B13R2.4901 O[C@@H]1CCCCC[C@H]1C2CCC2 Amb32950241 [0,0,0,2,0,0|0,0,2]=4 1537 B13R2.4901 O[C@@H]1CCCCC[C@H]1C2CNC2 Amb32945582 [0,0,0,2,0,0|1,0,1]=4 1538 B13R2.6337 OCC1CC2CCCCCC12O Amb28401007 [0,0,0,2,0,0|1,0,1]=4 1539 B13R2.6337 OC[C@@H]1C[C@@H]2CCCCC[C@]12O Amb27420683 [0,0,0,2,0,0|1,0,1]=4 1540 B13R2.5 O=CC1CCCCC12CCCC2 Amb18646650 [0,0,0,2,0,0|2,0,0]=4 1541 B13R2.5 O=CC1CCCCC12OCCO2 Amb4007382 [0,0,0,2,0,0|2,0,0]=4 1542 B13R2.5 OCC1CCCCC12CCCC2 Amb27406194 [0,0,0,2,0,0|0,0,2]=4 1543 B13R2.5 OCC1CCCCC12CCCN2 Amb27968192 [0,0,0,2,0,0|1,0,1]=4 1544 B13R2.5 OCC1CCCCC12CCNC2 Amb27462605 [0,0,0,2,0,0|1,0,1]=4 1545 B13R2.18 O=C1CCCCC1C2CCCC2 Amb18798695 [0,0,0,2,0,0|2,0,0]=4 1546 B13R2.18 O=C1CCCCC1C2CCCN2 Amb20667669 [0,0,0,2,0,0|2,0,0]=4 1547 B13R2.18 O=C1CCCCC1C2CCCN2 Amb22157204 [0,0,0,2,0,0|2,0,0]=4 1548 B13R2.18 O=C1CCCCC1C2CCCO2 Amb25370820 [0,0,0,2,0,0|1,0,0]=3 1549 B13R2.18 OC1CCCCC1C2C=CCN2 Amb32944188 [0,0,0,2,0,0|1,0,0]=3 1550 B13R2.18 OC1CCCCC1C2CCCC2 Amb18799274 [0,0,0,2,0,0|0,0,2]=4 1551 B13R2.18 OC1CCCCC1C2CCCN2 Amb25088113 [0,0,0,2,0,0|1,0,1]=4 1552 B13R2.18 OC1CCCCC1C2CCNC2 Amb27172906 [0,0,0,2,0,0|1,0,1]=4 1553 B13R2.18 OC1CCCCC1C2CCSC2 Amb35716130 [0,0,0,2,0,0|1,0,1]=4 1554 B13R2.18 O[C@@H]1CCCC[C@H]1C2C=CCN2 Amb32950109 [0,0,0,2,0,0|1,0,0]=3 1555 B13R2.18 O[C@@H]1CCCC[C@H]1C2CCCC2 Amb32950166 [0,0,0,2,0,0|0,0,2]=4 1556 B13R2.18 O[C@@H]1CCCC[C@H]1C2CCCN2 Amb32945251 [0,0,0,2,0,0|1,0,1]=4 1557 B13R2.29 BrC1CCCC1CC2CCCO2 Amb27973356 [0,0,0,2,0,0|1,0,1]=4 1558 B13R2.29 CC1CCCC1NC2C=CCC2 Amb30006715 [0,0,0,2,0,0|2,0,0]=4 1559 B13R2.29 O=C1CSCC1CC2CCCO2 Amb27251783 [0,0,0,2,0,0|2,0,0]=4 1560 B13R2.29 O=C1NCCC1CC2CCCO2 Amb27601374 [0,0,0,2,0,0|2,0,0]=4 1561 B13R2.29 OC1CCCC1CC2=CCCC2 Amb28060740 [0,0,0,2,0,0|0,0,2]=4 1562 B13R2.29 OC1CCCC1CC2CC=CC2 Amb30033044 [0,0,0,2,0,0|0,0,2]=4 1563 B13R2.29 OC1CCCC1CC2CCCC2 Amb18805996 [0,0,0,2,0,0|0,0,2]=4 1564 B13R2.29 OC1CCCC1CC2CCCO2 Amb18801884 [0,0,0,2,0,0|1,0,1]=4 1565 B13R2.29 OC1CCCC1NC2C=CCC2 Amb35722456 [0,0,0,2,0,0|1,0,0]=3 1566 B13R2.29 OC1COCC1NC2C=CCC2 Amb35722459 [0,0,0,2,0,0|2,0,0]=4 1567 B13R2.29 O[C@@H]1CCC[C@H]1CC2=CCCC2 Amb33213872 [0,0,0,2,0,0|0,0,2]=4 1568 B13R2.29 O[C@@H]1CCC[C@H]1CC2CC=CC2 Amb32944331 [0,0,0,2,0,0|0,0,2]=4 1569 B13R2.29 O[C@@H]1CCC[C@H]1CC2CCCC2 Amb32945986 [0,0,0,2,0,0|0,0,2]=4 1570 B13R2.29 O[C@@H]1CCC[C@H]1NC2C=CCC2 Amb35722450 [0,0,0,2,0,0|1,0,0]=3 1571 B13R2.29 O[C@@H]1COC[C@H]1NC2C=CCC2 Amb35608077 [0,0,0,2,0,0|2,0,0]=4 1572 B13R2.29 O[C@H]1CCC[C@@H]1NC2C=CCC2 Amb35722443 [0,0,0,2,0,0|1,0,0]=3 1573 B13R2.158 OC1CCC1CCC2CCCC2 Amb32944270 [0,0,0,2,0,0|0,0,2]=4 1574 B13R2.158 OC1CCC1CCC2CCCO2 Amb32951018 [0,0,0,2,0,0|1,0,1]=4 1575 B13R2.183 C1=CC(CCC2CCCC2)NC1 Amb28078137 [0,0,0,2,0,0|2,0,0]=4 1576 B13R2.183 C1=CC(NCC2CCCC2)CC1 Amb30006721 [0,0,0,2,0,0|2,0,0]=4 1577 B13R2.183 C1=CC(NCC2CCCN2)CC1 Amb30006724 [0,0,0,2,0,0|2,0,0]=4 1578 B13R2.183 C1=CC(NCC2CCCO2)CC1 Amb30006733 [0,0,0,2,0,0|1,0,0]=3 1579 B13R2.292 C=CCN1CCCC2CCCC21 Amb28127908 [0,0,0,2,0,0|2,0,0]=4 1580 B13R2.468 C=CCCN1CCC2CCCC21 Amb27853675 [0,0,0,2,0,0|2,0,0]=4 1581 B13R2.468 OCCC[C@@H]1CC[C@H]2CCCN12 Amb27428281 [0,0,0,2,0,0|1,0,1]=4 1582 B13R2.468 OCCC[C@H]1CC[C@H]2CCCN12 Amb27206546 [0,0,0,2,0,0|1,0,1]=4 1583 B13R2.628 OC[C@@H]1CCCC[C@@H]2CCCN12 Amb27184170 [0,0,0,2,0,0|1,0,1]=4 1584 B13R2.2520 CCCNCC1CC2C=CC1C2 Amb9223295 [0,0,0,2,0,0|2,0,0]=4 1585 B13R2.2520 NCCCCC1CC2C=CC1C2 Amb33378069 [0,0,0,2,0,0|1,0,0]=3 1586 B13R2.2520 NCCCCC1CC2CCC1O2 Amb32874103 [0,0,0,2,0,0|1,0,1]=4 1587 B13R2.2520 NCCCOC1CC2C=CC1C2 Amb33378033 [0,0,0,2,0,0|2,0,0]=4 1588 B13R2.2520 O=CCCCC1CC2C=CC1C2 Amb33378066 [0,0,0,2,0,0|0,0,2]=4 1589 B13R2.2520 O=CCCCC1CC2CCC1C2 Amb33358634 [0,0,0,2,0,0|2,0,0]=4 1590 B13R2.2520 O=CCCCC1CC2CCC1O2 Amb32874097 [0,0,0,2,0,0|1,0,0]=3 1591 B13R2.2520 OCCC#CC1CC2C=CC1C2 Amb27206038 [0,0,0,2,0,0|0,0,2]=4 1592 B13R2.2520 OCCC#C[C@@H]1C[C@H]2C=C[C@@H]1C2 Amb27261730 [0,0,0,2,0,0|0,0,2]=4 1593 B13R2.2520 OCCNCC1CC2C=CC1C2 Amb2721879 [0,0,0,2,0,0|1,0,0]=3 1594 B13R2.70 C=CCC1CC2CCCC2C1=O Amb28321836 [0,0,0,2,0,0|0,0,2]=4 1595 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 1596 B13R2.70 C\C=C\[C@H]1C[C@@H]2CCC[C@@H]2[C@@H]1O Amb27853893 [0,0,0,2,0,0|0,0,2]=4 1597 B13R2.210 O=C1CCC[C@@H]2CCC[C@@H]2CC1 Amb27854965 [0,0,0,2,0,0|2,0,0]=4 1598 B13R2.210 OC1CCCC2CCCC2CC1 Amb27826540 [0,0,0,2,0,0|0,0,2]=4 1599 B13R2.2093 C=C[C@@H]1CC[C@H]2CCCCN[C@H]12 Amb28436651 [0,0,0,2,0,0|2,0,0]=4 1600 B13R2.2351 N#CC12CCCC1CCCC2O Amb27826552 [0,0,0,2,0,0|1,0,1]=4 1601 B13R2.2351 N#C[C@]12CCC[C@@H]1CCC[C@@H]2O Amb27662331 [0,0,0,2,0,0|1,0,1]=4 1602 B13R2.2351 N#C[C@]12CCC[C@H]1CCC[C@@H]2O Amb27452429 [0,0,0,2,0,0|1,0,1]=4 1603 B13R2.6697 C\C=C1\CC[C@@H]2CCC[C@]12CO Amb27472650 [0,0,0,2,0,0|0,0,2]=4 1604 B13R2.7267 OCC12CCCCCC1CCC2 Amb27631738 [0,0,0,2,0,0|0,0,2]=4 1605 B13R2.283 C=CCC1C(O)CC2CCCN21 Amb28063901 [0,0,0,2,0,0|1,0,0]=3 1606 B13R2.283 C=CC[C@H]1[C@H](O)C[C@@H]2CCCN21 Amb27853818 [0,0,0,2,0,0|1,0,0]=3 1607 B13R2.283 CCCC1C(=O)CC2CCCC21 Amb27974029 [0,0,0,2,0,0|2,0,0]=4 1608 B13R2.283 C\C=C\C1C(O)C[C@H]2CCC[C@@H]12 Amb27422303 [0,0,0,2,0,0|0,0,2]=4 1609 B13R2.372 O=C1CCCCCCC1C2CO2 Amb28141294 [0,0,0,2,0,0|1,0,0]=3 1610 B13R2.2953 OCCC12CCCCCCC1O2 Amb27615512 [0,0,0,2,0,0|1,0,1]=4 1611 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 1612 B13R2.2956 CCCC1C(=O)C2CCCCC12 Amb27810139 [0,0,0,2,0,0|2,0,0]=4 1613 B13R2.3219 OC12CCCCCCC1CCC2 Amb28366382 [0,0,0,2,0,0|0,0,2]=4 1614 B13R2.3312 CC12CCCCCCC1CC2=O Amb27164656 [0,0,0,2,0,0|2,0,0]=4 1615 B13R2.3312 O=C1C[C@@H]2CCCCCC[C@]12O Amb28285932 [0,0,0,2,0,0|1,0,0]=3 1616 B13R2.3312 OC1CC2CCCCCCC12O Amb28294088 [0,0,0,2,0,0|1,0,1]=4 1617 B13R2.3680 O=C1CCC2C=CCC1CCC2 Amb27749802 [0,0,0,2,0,0|0,0,2]=4 1618 B13R2.3907 O=C1C2CCCCCC1CCC2 Amb26539633 [0,0,0,2,0,0|2,0,0]=4 1619 B13R2.3907 O=C1[C@@H]2C=CC[C@H]1CCCCC2 Amb27434184 [0,0,0,2,0,0|0,0,2]=4 1620 B13R2.4129 C=CCC1CCCC2CC2C1=O Amb28246562 [0,0,0,2,0,0|0,0,2]=4 1621 B13R2.4688 NC1=NC2CCCCCCC2O1 Amb27214155 [0,0,0,2,0,0|2,0,0]=4 1622 B13R2.4688 O=C1C=C2CCCCCCC2C1 Amb27175871 [0,0,0,2,0,0|0,0,2]=4 1623 B13R2.4688 O=C1CC2CCCCCCC2C1 Amb28351616 [0,0,0,2,0,0|2,0,0]=4 1624 B13R2.4688 O=C1CC2CCCCCCC2N1 Amb28340979 [0,0,0,2,0,0|2,0,0]=4 1625 B13R2.4688 O=C1N[C@H]2CCCCCC[C@H]2O1 Amb27201637 [0,0,0,2,0,0|2,0,0]=4 1626 B13R2.4688 OC1C[C@H]2CCCCCC[C@@H]2C1 Amb27797231 [0,0,0,2,0,0|0,0,2]=4 1627 B13R2.4688 OC1C[C@H]2CCCCCC[C@@H]2O1 Amb27423114 [0,0,0,2,0,0|1,0,1]=4 1628 B13R2.135 CN1CC2CCCCC2C1CO Amb28189473 [0,0,0,2,0,0|1,0,1]=4 1629 B13R2.135 CN1C[C@@H]2CCCC[C@H]2[C@@H]1CO Amb27969842 [0,0,0,2,0,0|1,0,1]=4 1630 B13R2.135 COC1C(O)CC2CCCCC21 Amb27631871 [0,0,0,2,0,0|1,0,1]=4 1631 B13R2.135 NC1CC2CCCCC2C1CO Amb27439622 [0,0,0,2,0,0|1,0,1]=4 1632 B13R2.135 N[C@@H]1C[C@@H]2CCCC[C@H]2[C@@H]1CO Amb27419868 [0,0,0,2,0,0|1,0,1]=4 1633 B13R2.135 OC[C@@H]1[C@@H](O)C[C@H]2CCCC[C@H]21 Amb27211299 [0,0,0,2,0,0|1,0,1]=4 1634 B13R2.599 C#CC1CC2CCCC2CC1O Amb28063837 [0,0,0,2,0,0|0,0,2]=4 1635 B13R2.599 C#C[C@@H]1C[C@H]2CCC[C@@H]2C[C@H]1O Amb27443579 [0,0,0,2,0,0|0,0,2]=4 1636 B13R2.599 CO[C@H]1C[C@@H]2CCC[C@H]2C[C@@H]1O Amb27978239 [0,0,0,2,0,0|1,0,1]=4 1637 B13R2.599 N#C[C@H]1C[C@H]2CCC[C@@H]2CC1O Amb27790353 [0,0,0,2,0,0|1,0,1]=4 1638 B13R2.2094 OCC1CCC2CCCCC12O Amb28048363 [0,0,0,2,0,0|1,0,1]=4 1639 B13R2.2094 OC[C@@H]1CC[C@H]2CCCC[C@]12O Amb27849850 [0,0,0,2,0,0|1,0,1]=4 1640 B13R2.2352 C=C1COC2CCCCC12CO Amb27605339 [0,0,0,2,0,0|1,0,0]=3 1641 B13R2.2352 CC1CCC2CCCCC12CO Amb27978062 [0,0,0,2,0,0|0,0,2]=4 1642 B13R2.2352 CC1CC[C@@H]2CCCC[C@]12CO Amb27206144 [0,0,0,2,0,0|0,0,2]=4 1643 B13R2.2352 C[C@H]1CCC2CCCC[C@@]21C=O Amb28287696 [0,0,0,2,0,0|2,0,0]=4 1644 B13R2.2352 N#C[C@]12CCCC[C@H]1CC[C@@H]2O Amb27198090 [0,0,0,2,0,0|1,0,1]=4 1645 B13R2.2352 N#C[C@]12CCCC[C@H]1CC[C@H]2O Amb27980646 [0,0,0,2,0,0|1,0,1]=4 1646 B13R2.2496 CNC1CCC2CC2CCC1O Amb32655305 [0,0,0,2,0,0|1,0,1]=4 1647 B13R2.2496 N#CC1CCC2CC2CCC1O Amb32655310 [0,0,0,2,0,0|1,0,1]=4 1648 B13R2.2721 CCC1C(=O)C2CCCCCC12 Amb27447994 [0,0,0,2,0,0|2,0,0]=4 1649 B13R2.2721 O=C1C2CCCCCC2N1CO Amb27456485 [0,0,0,2,0,0|2,0,0]=4 1650 B13R2.4668 O=C1CC2CCCCCC1CC2 Amb27177666 [0,0,0,2,0,0|2,0,0]=4 1651 B13R2.4668 O=C1C[C@H]2CCCCC[C@@H]1CC2 Amb27629639 [0,0,0,2,0,0|2,0,0]=4 1652 B13R2.4787 O=C1C[C@H]2CCCCCCC[C@H]12 Amb27433087 [0,0,0,2,0,0|2,0,0]=4 1653 B13R2.4787 O=C1NC2CCCCCCCC12 Amb27646369 [0,0,0,2,0,0|2,0,0]=4 1654 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@@H]12 Amb27983514 [0,0,0,2,0,0|2,0,0]=4 1655 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@H]12 Amb27841212 [0,0,0,2,0,0|2,0,0]=4 1656 B13R2.32 CC1C(=O)CC[C@@H]2CCCC[C@H]12 Amb27437401 [0,0,0,2,0,0|2,0,0]=4 1657 B13R2.32 CC1C(=O)CC[C@H]2CCCC[C@H]12 Amb27844186 [0,0,0,2,0,0|2,0,0]=4 1658 B13R2.32 CC1C(O)CCC2CCCCC21 Amb27853932 [0,0,0,2,0,0|0,0,2]=4 1659 B13R2.32 CC1CCC2CCCCC2C1=O Amb27663209 [0,0,0,2,0,0|2,0,0]=4 1660 B13R2.32 C[C@@H]1C(=O)CC[C@H]2CCCC[C@H]12 Amb28285931 [0,0,0,2,0,0|2,0,0]=4 1661 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 1662 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 1663 B13R2.32 NC1C(=O)CCC2CCCCC21 Amb27873828 [0,0,0,2,0,0|2,0,0]=4 1664 B13R2.32 NC1C(O)CCC2CCCCC21 Amb27259189 [0,0,0,2,0,0|1,0,1]=4 1665 B13R2.32 NC1CCC2CCCCC2C1O Amb27456062 [0,0,0,2,0,0|1,0,1]=4 1666 B13R2.32 N[C@@H]1CC[C@H]2CCCC[C@@H]2[C@H]1O Amb28052031 [0,0,0,2,0,0|1,0,1]=4 1667 B13R2.32 N[C@@H]1[C@@H](O)CC[C@H]2CCCC[C@H]12 Amb27493375 [0,0,0,2,0,0|1,0,1]=4 1668 B13R2.32 N[C@H]1[C@@H](O)CC[C@H]2CCCC[C@@H]21 Amb27208922 [0,0,0,2,0,0|1,0,1]=4 1669 B13R2.32 O=C1C(F)CCC2CCCCC12 Amb24736430 [0,0,0,2,0,0|2,0,0]=4 1670 B13R2.32 O=C1C(O)CCN2CCCCC12 Amb27175916 [0,0,0,2,0,0|2,0,0]=4 1671 B13R2.32 O=C1C2CCCCC2CC[C@H]1Cl Amb27760477 [0,0,0,2,0,0|2,0,0]=4 1672 B13R2.32 O=C1CC[C@H]2CCCC[C@@H]2[C@H]1F Amb28141326 [0,0,0,2,0,0|2,0,0]=4 1673 B13R2.32 O=C1[C@@H](Cl)CC[C@H]2CCCC[C@H]12 Amb27202573 [0,0,0,2,0,0|2,0,0]=4 1674 B13R2.32 O[C@@H]1CC[C@H]2CCCC[C@@H]2[C@@H]1F Amb27184168 [0,0,0,2,0,0|1,0,1]=4 1675 B13R2.32 O[C@@H]1[C@@H](F)CC[C@H]2CCCC[C@H]12 Amb27207428 [0,0,0,2,0,0|1,0,1]=4 1676 B13R2.32 O[C@H]1CC[C@@H]2CCCC[C@@H]2[C@H]1O Amb28079181 [0,0,0,2,0,0|1,0,1]=4 1677 B13R2.32 O[C@H]1CC[C@H]2CCCC[C@@H]2[C@@H]1O Amb27197502 [0,0,0,2,0,0|1,0,1]=4 1678 B13R2.32 O[C@H]1CC[C@H]2CCCC[C@@H]2[C@H]1F Amb28138633 [0,0,0,2,0,0|1,0,1]=4 1679 B13R2.32 O[C@H]1CC[C@H]2CCCC[C@@H]2[C@H]1O Amb27213871 [0,0,0,2,0,0|1,0,1]=4 1680 B13R2.33 Cl[C@@H]1C=C[C@@H]2OCCC[C@@H]2CC1 Amb27204832 [0,0,0,2,0,0|2,0,0]=4 1681 B13R2.57 C=CC1CC[C@H]2CCCC[C@@H]2N1 Amb28051929 [0,0,0,2,0,0|1,0,0]=3 1682 B13R2.57 OCC1C=CC2OCCCC2O1 Amb27826515 [0,0,0,2,0,0|2,0,0]=4 1683 B13R2.57 OCC1CCC2CCCCC2C1 Amb27205831 [0,0,0,2,0,0|0,0,2]=4 1684 B13R2.57 OCC1CCC2CCCCC2N1 Amb27607260 [0,0,0,2,0,0|1,0,1]=4 1685 B13R2.57 OCC1CC[C@H]2CCCC[C@@H]2C1 Amb27184504 [0,0,0,2,0,0|0,0,2]=4 1686 B13R2.57 OC[C@@H]1CC[C@@H]2CCCCN2C1 Amb27439598 [0,0,0,2,0,0|1,0,1]=4 1687 B13R2.57 OC[C@H]1CC[C@@H]2CCCCN2C1 Amb27467426 [0,0,0,2,0,0|1,0,1]=4 1688 B13R2.57 OC[C@H]1CC[C@H]2CCCCN2C1 Amb28053573 [0,0,0,2,0,0|1,0,1]=4 1689 B13R2.89 COC1CCCCC12CC2CO Amb27272708 [0,0,0,2,0,0|1,0,1]=4 1690 B13R2.489 CCCCN1C2C=CCC1CC2 Amb27651203 [0,0,0,2,0,0|2,0,0]=4 1691 B13R2.489 ICCCN1C2C=CCC1CC2 Amb27826951 [0,0,0,2,0,0|2,0,0]=4 1692 B13R2.539 OCCCC1CCCCC12N=N2 Amb33457194 [0,0,0,2,0,0|2,0,0]=4 1693 B13R2.571 C=CC1CN2CCC1CC2CO Amb16227052 [0,0,0,2,0,0|1,0,0]=3 1694 B13R2.571 C=CC1CN2CCC1C[C@@H]2CO Amb27474838 [0,0,0,2,0,0|1,0,0]=3 1695 B13R2.571 C=CC1CN2CCC1C[C@H]2CO Amb27423522 [0,0,0,2,0,0|1,0,0]=3 1696 B13R2.571 C=CC1CN2CC[C@H]1C[C@H]2CO Amb28198862 [0,0,0,2,0,0|1,0,0]=3 1697 B13R2.571 C=C[C@@H]1CN2CC[C@@H]1C[C@H]2CN Amb27850583 [0,0,0,2,0,0|2,0,0]=4 1698 B13R2.571 C=C[C@@H]1CN2CC[C@H]1C[C@H]2CO Amb28428539 [0,0,0,2,0,0|1,0,0]=3 1699 B13R2.571 C=C[C@H]1CN2CC[C@H]1C[C@@H]2CN Amb17937677 [0,0,0,2,0,0|2,0,0]=4 1700 B13R2.571 C=C[C@H]1CN2CC[C@H]1C[C@H]2CN Amb25977970 [0,0,0,2,0,0|2,0,0]=4 1701 B13R2.573 C=C1CCC2C(CO)CCCC12 Amb27598468 [0,0,0,2,0,0|0,0,0]=2 1702 B13R2.573 C=C1CC[C@@H]2[C@@H](CO)CCC[C@H]12 Amb28388641 [0,0,0,2,0,0|0,0,0]=2 1703 B13R2.573 O=C1CCC2C(CO)CCCC12 Amb27616860 [0,0,0,2,0,0|1,0,0]=3 1704 B13R2.621 CCC1CCCCC1CC2CO2 Amb28070892 [0,0,0,2,0,0|0,0,2]=4 1705 B13R2.621 COC1CCCCC1CC2CO2 Amb27949898 [0,0,0,2,0,0|1,0,1]=4 1706 B13R2.4048 C=CCN1C2CCC1C(CO)C2 Amb28400297 [0,0,0,2,0,0|1,0,0]=3 1707 B13R2.6377 COC12CCCCC1CC2CO Amb27486429 [0,0,0,2,0,0|1,0,1]=4 1708 B13R2.6377 CO[C@]12CCCC[C@H]1C[C@@H]2CO Amb27792969 [0,0,0,2,0,0|1,0,1]=4 1709 B13R2.6377 CO[C@]12CCCC[C@H]1C[C@H]2CO Amb27967225 [0,0,0,2,0,0|1,0,1]=4 1710 B13R2.7258 OC[C@]12CC=CC[C@@H]1CCCC2 Amb27457831 [0,0,0,2,0,0|0,0,2]=4 1711 B13R2.230 O=C1CCC2C=C1CCCCC2 Amb27211981 [0,0,0,2,0,0|0,0,2]=4 1712 B13R2.369 CC1CC2CCCCC2CC1=O Amb4012872 [0,0,0,2,0,0|2,0,0]=4 1713 B13R2.369 CC1C[C@H]2CCCC[C@H]2CC1=O Amb28052219 [0,0,0,2,0,0|2,0,0]=4 1714 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 1715 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 1716 B13R2.369 NC1CC2CCCCC2CC1O Amb27442960 [0,0,0,2,0,0|1,0,1]=4 1717 B13R2.369 N[C@@H]1CC2CCCCC2C[C@H]1O Amb28132307 [0,0,0,2,0,0|1,0,1]=4 1718 B13R2.369 N[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1O Amb27657740 [0,0,0,2,0,0|1,0,1]=4 1719 B13R2.369 N[C@H]1C[C@H]2CCCC[C@@H]2CC1=O Amb27813279 [0,0,0,2,0,0|2,0,0]=4 1720 B13R2.369 O=C1CC2CCCCC2CC1F Amb27177685 [0,0,0,2,0,0|2,0,0]=4 1721 B13R2.369 O=C1C[C@@H]2CCCC[C@@H]2C[C@@H]1O Amb27620390 [0,0,0,2,0,0|1,0,0]=3 1722 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2CC1Cl Amb27266095 [0,0,0,2,0,0|2,0,0]=4 1723 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@@H]1F Amb27204903 [0,0,0,2,0,0|2,0,0]=4 1724 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@@H]1O Amb27195837 [0,0,0,2,0,0|1,0,0]=3 1725 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@H]1O Amb27861319 [0,0,0,2,0,0|1,0,0]=3 1726 B13R2.369 OC1CC2CCCCC2CC1F Amb28281781 [0,0,0,2,0,0|1,0,1]=4 1727 B13R2.369 OC1CC2CCCCC2CC1O Amb4036620 [0,0,0,2,0,0|1,0,1]=4 1728 B13R2.369 OC1CC2CCCC[C@@H]2CC1F Amb28065928 [0,0,0,2,0,0|1,0,1]=4 1729 B13R2.369 O[C@@H]1CC2CCCC[C@@H]2C[C@H]1Cl Amb27788418 [0,0,0,2,0,0|1,0,1]=4 1730 B13R2.369 O[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1F Amb27632876 [0,0,0,2,0,0|1,0,1]=4 1731 B13R2.369 O[C@@H]1C[C@H]2CCCC[C@@H]2C[C@H]1F Amb27970842 [0,0,0,2,0,0|1,0,1]=4 1732 B13R2.369 O[C@H]1CC2CCCCC2C[C@@H]1F Amb27978210 [0,0,0,2,0,0|1,0,1]=4 1733 B13R2.369 O[C@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1O Amb27451044 [0,0,0,2,0,0|1,0,1]=4 1734 B13R2.369 O[C@H]1C[C@@H]2CCCC[C@@H]2C[C@H]1O Amb27219741 [0,0,0,2,0,0|1,0,1]=4 1735 B13R2.369 O[C@H]1C[C@H]2CCCC[C@@H]2C[C@H]1O Amb27664070 [0,0,0,2,0,0|1,0,1]=4 1736 B13R2.4821 CC12CCCCC1CCCC2=O Amb25077647 [0,0,0,2,0,0|2,0,0]=4 1737 B13R2.4821 C[C@@]12CCCCC1CCC[C@H]2O Amb27775906 [0,0,0,2,0,0|0,0,2]=4 1738 B13R2.4821 C[C@@]12CCCC[C@@H]1CCC[C@@H]2O Amb27484661 [0,0,0,2,0,0|0,0,2]=4 1739 B13R2.4821 C[C@@]12CCCC[C@H]1CCC[C@H]2O Amb28207115 [0,0,0,2,0,0|0,0,2]=4 1740 B13R2.4821 C[C@]12CCCC[C@@H]1CCC[C@@H]2O Amb28325950 [0,0,0,2,0,0|0,0,2]=4 1741 B13R2.4821 C[C@]12CCCC[C@@H]1CCC[C@H]2O Amb28370063 [0,0,0,2,0,0|0,0,2]=4 1742 B13R2.4821 C[C@]12CCCC[C@H]1CCCC2O Amb28344626 [0,0,0,2,0,0|0,0,2]=4 1743 B13R2.4821 N[C@@H]1CCC[C@H]2CCCC[C@]12O Amb27261870 [0,0,0,2,0,0|1,0,1]=4 1744 B13R2.4821 O=C1CCCC2CCCCC12O Amb28122454 [0,0,0,2,0,0|1,0,0]=3 1745 B13R2.4821 O=C1CCC[C@@H]2CCCC[C@@]12O Amb27208667 [0,0,0,2,0,0|1,0,0]=3 1746 B13R2.4821 OC1CCC[C@@H]2CCCC[C@]12O Amb27422426 [0,0,0,2,0,0|1,0,1]=4 1747 B13R2.5226 O=C1CCCCCCC[C@H]2C[C@@H]12 Amb27640532 [0,0,0,2,0,0|2,0,0]=4 1748 B13R2.5254 CC12CCCC1CCCCC2O Amb27605225 [0,0,0,2,0,0|0,0,2]=4 1749 B13R2.5254 C[C@]12CCC[C@H]1CCCC[C@@H]2O Amb27420333 [0,0,0,2,0,0|0,0,2]=4 1750 B13R2.163 NC1=NCCC2CCCCC2C1 Amb27657800 [0,0,0,2,0,0|2,0,0]=4 1751 B13R2.163 O=C1C=C2CCCCC2CCC1 Amb27177506 [0,0,0,2,0,0|0,0,2]=4 1752 B13R2.163 O=C1CCC[C@@H]2CCCC[C@@H]2C1 Amb28457521 [0,0,0,2,0,0|2,0,0]=4 1753 B13R2.163 O=C1CCC[C@@H]2CCCC[C@H]2N1 Amb27220587 [0,0,0,2,0,0|2,0,0]=4 1754 B13R2.163 O=C1NCC[C@@H]2CCCC[C@H]2O1 Amb32992735 [0,0,0,2,0,0|2,0,0]=4 1755 B13R2.163 S=C1CCCC2CCCCC2N1 Amb28240524 [0,0,0,2,0,0|2,0,0]=4 1756 B13R2.2930 OCC1C(CO)[C@@H]2CCCC[C@H]12 Amb27757379 [0,0,0,2,0,0|1,0,1]=4 1757 B13R2.2930 OCC1C(CO)[C@H]2CCCC[C@H]12 Amb27775451 [0,0,0,2,0,0|1,0,1]=4 1758 B13R2.4079 C=CCB1C2CCCC1CCC2 Amb28397358 [0,0,0,2,0,0|2,0,0]=4 1759 B13R2.4079 OCCC1C2CCCC1CCC2 Amb27842341 [0,0,0,2,0,0|0,0,2]=4 1760 B13R2.26 OCCC1C[C@@H]2CCCC[C@@H]2N1 Amb32946522 [0,0,0,2,0,0|1,0,1]=4 1761 B13R2.9439 O=CC1[C@@H]2C=CCCCCC[C@H]12 Amb28287346 [0,0,0,2,0,0|0,0,2]=4 1762 B13R2.218 O=C1CCCCC2CCCC2C1 Amb28351378 [0,0,0,2,0,0|2,0,0]=4 1763 B13R2.218 O=C1CCCC[C@@H]2CCC[C@@H]2C1 Amb28285836 [0,0,0,2,0,0|2,0,0]=4 1764 B13R2.218 O=C1CCCC[C@@H]2CCC[C@H]2C1 Amb28199945 [0,0,0,2,0,0|2,0,0]=4 1765 B13R2.218 OC1CCCCC2CCCC2C1 Amb28078926 [0,0,0,2,0,0|0,0,2]=4 1766 B13R2.218 O[C@@H]1CC=CC[C@@H]2CCC[C@H]2C1 Amb27457644 [0,0,0,2,0,0|0,0,2]=4 1767 B13R2.218 O[C@@H]1CCCC[C@@H]2CCC[C@H]2C1 Amb27207770 [0,0,0,2,0,0|0,0,2]=4 1768 B13R2.218 O[C@H]1CC=CC[C@@H]2CCCC2C1 Amb27969150 [0,0,0,2,0,0|0,0,2]=4 1769 B13R2.3627 OC1C=CCCCC2OC2CC1 Amb27805130 [0,0,0,2,0,0|1,0,0]=3 1770 B13R2.3627 O[C@H]1C=CCCC[C@H]2O[C@H]2CC1 Amb27980529 [0,0,0,2,0,0|1,0,0]=3 1771 B13R2.3672 O=C1CCC2CCCCCCC12 Amb28202072 [0,0,0,2,0,0|2,0,0]=4 1772 B13R2.3672 OC1CCC2CCCCC=CC12 Amb27757322 [0,0,0,2,0,0|0,0,2]=4 1773 B13R2.3672 O[C@@H]1CC[C@H]2CCCCC=C[C@H]12 Amb27457860 [0,0,0,2,0,0|0,0,2]=4 1774 B13R2.4820 O=C1CCCC2CCCCC=C12 Amb28461159 [0,0,0,2,0,0|0,0,2]=4 1775 B13R2.4820 O=C1CCC[C@H]2CCCCC[C@H]12 Amb27212437 [0,0,0,2,0,0|2,0,0]=4 1776 B13R2.4820 OC1CCCC2CC=CCCC12 Amb28248794 [0,0,0,2,0,0|0,0,2]=4 1777 B13R2.4820 O[C@@H]1CCC[C@H]2CCCCC[C@H]12 Amb28321263 [0,0,0,2,0,0|0,0,2]=4 1778 B13R2.4820 O[C@H]1CCC[C@H]2CCCCC[C@H]12 Amb27420626 [0,0,0,2,0,0|0,0,2]=4 1779 B13R2.168 C=C1CCCC12CCCCC2=O Amb28202177 [0,0,0,2,0,0|0,0,2]=4 1780 B13R2.168 C[C@@H]1CCC[C@@]12CCCCC2=O Amb28054446 [0,0,0,2,0,0|2,0,0]=4 1781 B13R2.168 O=C1NCCC12CCCCC2O Amb27958784 [0,0,0,2,0,0|2,0,0]=4 1782 B13R2.168 O[C@H]1CCCC[C@@]12CCC[C@H]2O Amb27448858 [0,0,0,2,0,0|1,0,1]=4 1783 B13R2.342 CC1=C2CCC[C@@H](O)[C@H]2CCC1 Amb27650434 [0,0,0,2,0,0|0,0,2]=4 1784 B13R2.342 CN1CCCC2C(O)CCCC21 Amb28294085 [0,0,0,2,0,0|1,0,1]=4 1785 B13R2.342 NC1CCCC2C(O)CCCC12 Amb28422426 [0,0,0,2,0,0|1,0,1]=4 1786 B13R2.342 O=C1CCC[C@@H]2C(O)CCC[C@@H]12 Amb28052221 [0,0,0,2,0,0|1,0,0]=3 1787 B13R2.342 O=C1CCC[C@@H]2[C@@H]1CCC[C@H]2O Amb28253947 [0,0,0,2,0,0|1,0,0]=3 1788 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 1789 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 1790 B13R2.342 O=C1CCNC2C(O)CCCC12 Amb27261783 [0,0,0,2,0,0|2,0,0]=4 1791 B13R2.342 OC1CCCC2C(O)CCCC12 Amb4009968 [0,0,0,2,0,0|1,0,1]=4 1792 B13R2.342 O[C@H]1CCC[C@@H]2[C@@H]1CCC[C@H]2O Amb27220635 [0,0,0,2,0,0|1,0,1]=4 1793 B13R2.342 O[C@H]1CCC[C@H]2[C@@H](O)CCC[C@H]12 Amb27197152 [0,0,0,2,0,0|1,0,1]=4 1794 B13R2.486 CCCCC1C2CCC1C(=O)C2 Amb27861493 [0,0,0,2,0,0|2,0,0]=4 1795 B13R2.486 CCCC[C@@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb28052421 [0,0,0,2,0,0|2,0,0]=4 1796 B13R2.486 CCCC[C@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb27785530 [0,0,0,2,0,0|2,0,0]=4 1797 B13R2.567 CN1CCCCC1C2CC2CO Amb25944145 [0,0,0,2,0,0|1,0,1]=4 1798 B13R2.2411 N#CCC1CC2CCCC1C2O Amb27981787 [0,0,0,2,0,0|1,0,1]=4 1799 B13R2.2411 O=C1[C@H]2CCC[C@@H]1C[C@H]2CCO Amb27196267 [0,0,0,2,0,0|1,0,0]=3 1800 B13R2.3587 OC1CCCCC1CCC2CC2 Amb26371911 [0,0,0,2,0,0|0,0,2]=4 1801 B13R2.3587 OC1CCCCC1CCC2CO2 Amb32945355 [0,0,0,2,0,0|1,0,1]=4 1802 B13R2.3587 O[C@@H]1CCCC[C@H]1CCC2CC2 Amb32944361 [0,0,0,2,0,0|0,0,2]=4 1803 B13R2.3587 O[C@@H]1CCCC[C@H]1CCC2CO2 Amb32944365 [0,0,0,2,0,0|1,0,1]=4 1804 B13R2.5225 OC1CCCCC1CC2CCC2 Amb27448941 [0,0,0,2,0,0|0,0,2]=4 1805 B13R2.5225 O[C@@H]1CCCC[C@H]1CC2CCC2 Amb32950312 [0,0,0,2,0,0|0,0,2]=4 1806 B13R2.179 C=C1C[C@H]1CC[C@H]2CCCC2=O Amb28052462 [0,0,0,2,0,0|0,0,2]=4 1807 B13R2.3152 OC1CCCC1CCC2CCC2 Amb26968979 [0,0,0,2,0,0|0,0,2]=4 1808 B13R2.3152 O[C@@H]1CCC[C@H]1CCC2CCC2 Amb32944942 [0,0,0,2,0,0|0,0,2]=4 1809 B13R2.4894 OC1CCC1CCCC2CCC2 Amb32944726 [0,0,0,2,0,0|0,0,2]=4 1810 B13R2.255 COC[C@@H]1CC[C@@H]2CC[C@H]1[C@H]2O Amb28206044 [0,0,0,2,0,0|1,0,1]=4 1811 B13R2.4440 O=CCC1CC12CCCCCC2 Amb27229439 [0,0,0,2,0,0|2,0,0]=4 1812 B13R2.4440 OCCC1CC12CCCCCC2 Amb27646832 [0,0,0,2,0,0|0,0,2]=4 1813 B13R2.251 COCC1CCC2C(O)CCC12 Amb27416945 [0,0,0,2,0,0|1,0,1]=4 1814 B13R2.251 COC[C@@H]1CC[C@@H]2[C@H](O)CC[C@@H]21 Amb28320020 [0,0,0,2,0,0|1,0,1]=4 1815 B13R2.515 CCCCC1CC2CC1CC2O Amb27977968 [0,0,0,2,0,0|0,0,2]=4 1816 B13R2.164 BrCCCC1CC2CCCC2O1 Amb32690322 [0,0,0,2,0,0|1,0,1]=4 1817 B13R2.164 C=CCCN1CC2CCCC2C1 Amb27661901 [0,0,0,2,0,0|2,0,0]=4 1818 B13R2.164 ClCCCC1CC2CCCC2O1 Amb32690321 [0,0,0,2,0,0|1,0,1]=4 1819 B13R2.164 OCCCC1CC2CCCC2N1 Amb28368201 [0,0,0,2,0,0|1,0,1]=4 1820 B13R2.164 OCCC[C@@H]1C[C@H]2CCCN2O1 Amb28435651 [0,0,0,2,0,0|2,0,0]=4 1821 B13R2.911 O=CCCC1C2CCCCCC12 Amb27872796 [0,0,0,2,0,0|2,0,0]=4 1822 B13R2.1320 OCC1CC12CCCCCCC2 Amb27835602 [0,0,0,2,0,0|0,0,2]=4 1823 B13R2.5334 O=C1CCC12CCCCCCC2 Amb26476577 [0,0,0,2,0,0|2,0,0]=4 1824 B13R2.181 O=C1CCCC1C2COCC2O Amb27206944 [0,0,0,2,0,0|2,0,0]=4 1825 B13R2.181 O=C1CSCC1C2CCCC2O Amb28281335 [0,0,0,2,0,0|2,0,0]=4 1826 B13R2.181 OC1CCCC1C2CCCC2O Amb28078242 [0,0,0,2,0,0|1,0,1]=4 1827 B13R2.3130 O=C1CCCC12CCCCCC2 Amb28202218 [0,0,0,2,0,0|2,0,0]=4 1828 B13R2.3130 OC1OCCC12C=CCCCC2 Amb27981831 [0,0,0,2,0,0|1,0,0]=3 1829 B13R2.3140 OC1CCCC1CCCC2CC2 Amb33213183 [0,0,0,2,0,0|0,0,2]=4 1830 B13R2.3140 O[C@@H]1CCC[C@H]1CCCC2CC2 Amb32950153 [0,0,0,2,0,0|0,0,2]=4 1831 B13R2.4880 OC1CCC1C2=CCCCCC2 Amb32944533 [0,0,0,2,0,0|0,0,2]=4 1832 B13R2.4880 OC1CCC1C2CCCCCC2 Amb32944373 [0,0,0,2,0,0|0,0,2]=4 1833 B13R2.4880 OC1CCC1C2CCCCCN2 Amb33213769 [0,0,0,2,0,0|1,0,1]=4 1834 B13R2.1411 O=CC1CC1C2CCCCCC2 Amb32669257 [0,0,0,2,0,0|2,0,0]=4