0 B12R0.5 BrCCCCCCCCCCCBr Amb8514480 [0,0,0,0,0,0|2,0,1]=3 1 B12R0.5 C#CCCCCCCCCCCO Amb10602413 [0,0,0,0,0,0|2,0,1]=3 2 B12R0.5 C=CCCCCCCCCCCC Amb2721661 [0,0,0,0,0,0|1,0,0]=1 3 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [0,0,0,0,0,0|2,0,0]=2 4 B12R0.5 C=CCNCCCCCCCCC Amb7761762 [0,0,0,0,0,0|2,0,0]=2 5 B12R0.5 CCCCC#CCCCCCCCl Amb16232464 [0,0,0,0,0,0|1,0,3]=4 6 B12R0.5 CCCCCCCCCC#CCO Amb2609119 [0,0,0,0,0,0|0,0,4]=4 7 B12R0.5 CCCCCCCCCCCC#N Amb8384531 [0,0,0,0,0,0|1,0,1]=2 8 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [0,0,0,0,0,0|0,0,0]=0 9 B12R0.5 CCCCCCCCCCCCBr Amb6891945 [0,0,0,0,0,0|1,0,1]=2 10 B12R0.5 CCCCCCCCCCCCC Amb29471649 [0,0,0,0,0,0|1,0,1]=2 11 B12R0.5 CCCCCCCCCCCCC Amb8513362 [0,0,0,0,0,0|1,0,1]=2 12 B12R0.5 CCCCCCCCCCCCCl Amb4008392 [0,0,0,0,0,0|1,0,1]=2 13 B12R0.5 CCCCCCCCCCCCI Amb3940281 [0,0,0,0,0,0|1,0,1]=2 14 B12R0.5 CCCCCCCCCCCCN Amb3940463 [0,0,0,0,0,0|1,0,1]=2 15 B12R0.5 CCCCCCCCCCCCO Amb2721434 [0,0,0,0,0,0|0,0,2]=2 16 B12R0.5 CCCCCCCCCCCC[NH3+] Amb22049481 [0,0,0,0,0,0|1,0,1]=2 17 B12R0.5 CCCCCCCCCCCNC Amb32676722 [0,0,0,0,0,0|2,0,0]=2 18 B12R0.5 CCCCCCCCCCCNC Amb9787074 [0,0,0,0,0,0|2,0,0]=2 19 B12R0.5 CCCCCCCCCCN=C=S Amb2686679 [0,0,0,0,0,0|1,1,1]=3 20 B12R0.5 CCCCCCCCCCN=[N+]=[N-] Amb17939439 [0,0,0,0,0,0|3,0,0]=3 21 B12R0.5 CCCCCCCCCNCCC Amb7794670 [0,0,0,0,0,0|2,0,1]=3 22 B12R0.5 CCCCCCCCCSCCN Amb7794936 [0,0,0,0,0,0|2,0,1]=3 23 B12R0.5 CCCCCCCCCSCCO Amb7968787 [0,0,0,0,0,0|1,0,2]=3 24 B12R0.5 CCCCCCCCNCCC#N Amb2689969 [0,0,0,0,0,0|2,0,1]=3 25 B12R0.5 CCCCCCCCNCCCN Amb19058864 [0,0,0,0,0,0|2,0,1]=3 26 B12R0.5 CCCCCCCCNCCNC Amb2691994 [0,0,0,0,0,0|3,0,0]=3 27 B12R0.5 CCCCCCCCOCCCN Amb13951369 [0,0,0,0,0,0|2,0,1]=3 28 B12R0.5 CCCCCCCCOCCCN Amb7764731 [0,0,0,0,0,0|2,0,1]=3 29 B12R0.5 CCCCCCCNCCCCC Amb7761456 [0,0,0,0,0,0|2,0,1]=3 30 B12R0.5 CCCCCCC\C=C\C=C\C=O Amb22045171 [0,0,0,0,0,0|0,0,4]=4 31 B12R0.5 CCCCCCNCCCCCC Amb3938960 [0,0,0,0,0,0|2,0,1]=3 32 B12R0.5 CCCCCCOCCCCCC Amb9787554 [0,0,0,0,0,0|2,0,1]=3 33 B12R0.5 CCCCCCOCCOCCO Amb9787187 [0,0,0,0,0,0|2,0,2]=4 34 B12R0.5 CCCCCCSCCCCCC Amb8513185 [0,0,0,0,0,0|2,0,1]=3 35 B12R0.5 CCCCC\C=C/CC\C=C\C=O Amb22348277 [0,0,0,0,0,0|0,0,4]=4 36 B12R0.5 CCCCOCCOCCCCN Amb9208521 [0,0,0,0,0,0|3,0,1]=4 37 B12R0.5 CCCC\C=C\CCCCCCO Amb33513191 [0,0,0,0,0,0|0,0,4]=4 38 B12R0.5 CCOCCCCCCCCCBr Amb33719481 [0,0,0,0,0,0|2,0,1]=3 39 B12R0.5 CCOCCCCCCCCCO Amb22233218 [0,0,0,0,0,0|1,0,2]=3 40 B12R0.5 COCCCCCNCCCOC Amb33133269 [0,0,0,0,0,0|4,0,0]=4 41 B12R0.5 NCCCCCCCCCCCN Amb16233911 [0,0,0,0,0,0|2,0,1]=3 42 B12R0.5 NCCCCCCCCCCCO Amb26304136 [0,0,0,0,0,0|1,0,2]=3 43 B12R0.5 NCCCCCCCCCCCO Amb30988059 [0,0,0,0,0,0|1,0,2]=3 44 B12R0.5 NCCCCCCCCCCCS Amb22336989 [0,0,0,0,0,0|1,1,1]=3 45 B12R0.5 NOCCCCCCCCCON Amb33483168 [0,0,0,0,0,0|4,0,0]=4 46 B12R0.5 OCCCCCCCCCCCBr Amb3372065 [0,0,0,0,0,0|1,0,2]=3 47 B12R0.5 OCCCCCCCCCCCO Amb15692712 [0,0,0,0,0,0|1,0,2]=3 48 B12R0.5 OCCCCCCCCCCCS Amb8396653 [0,0,0,0,0,0|1,0,2]=3 49 B12R0.5 [N-]=[N+]=NCCCCCCCCCN Amb34913617 [0,0,0,0,0,0|4,0,0]=4 50 B12R0.5 [N-]=[N+]=NCCCCCCCCCN Amb34913619 [0,0,0,0,0,0|4,0,0]=4 51 B12R0.5 [N-]=[N+]=NCCCCCCCCCO Amb34913618 [0,0,0,0,0,0|4,0,0]=4 52 B11R0.3 BrCCCCCCCCCCBr Amb2721556 [1,0,0,0,0,0|2,0,0]=3 53 B11R0.3 C#CCCCCCCCCCC Amb2721432 [1,0,0,0,0,0|0,0,2]=3 54 B11R0.3 C=CCCCCCCCCC=O Amb8513533 [1,0,0,0,0,0|0,0,2]=3 55 B11R0.3 C=CCCCCCCCCCBr Amb2691196 [1,0,0,0,0,0|1,0,1]=3 56 B11R0.3 C=CCCCCCCCCCC Amb3940486 [1,0,0,0,0,0|0,0,1]=2 57 B11R0.3 C=CCCCCCCCCCCl Amb2721562 [1,0,0,0,0,0|1,0,1]=3 58 B11R0.3 C=CCCCCCCCCCN Amb2721533 [1,0,0,0,0,0|1,0,1]=3 59 B11R0.3 C=CCCCCCCCCCO Amb2721673 [1,0,0,0,0,0|1,0,1]=3 60 B11R0.3 CCCCCCCCCCCBr Amb8514664 [1,0,0,0,0,0|1,0,0]=2 61 B11R0.3 CCCCCCCCCCCC Amb8513157 [1,0,0,0,0,0|0,0,1]=2 62 B11R0.3 CCCCCCCCCCCCl Amb9787117 [1,0,0,0,0,0|1,0,0]=2 63 B11R0.3 CCCCCCCCCCCN Amb3941511 [1,0,0,0,0,0|1,0,0]=2 64 B11R0.3 CCCCCCCCCCCO Amb6646062 [1,0,0,0,0,0|0,0,1]=2 65 B11R0.3 CCCCCCCCCCNC Amb33934687 [1,0,0,0,0,0|1,0,1]=3 66 B11R0.3 CCCCCCCCCCNC Amb9787067 [1,0,0,0,0,0|1,0,1]=3 67 B11R0.3 CCCCCCCCCN=C=S Amb2689944 [1,0,0,0,0,0|1,1,1]=4 68 B11R0.3 CCCCCCCCCN=[N+]=[N-] Amb18633019 [1,0,0,0,0,0|3,0,0]=4 69 B11R0.3 CCCCCCCCCNCC Amb7761767 [1,0,0,0,0,0|1,0,1]=3 70 B11R0.3 CCCCCCCCNCCN Amb18794624 [1,0,0,0,0,0|2,0,0]=3 71 B11R0.3 CCCCCCCCNCCN Amb22358941 [1,0,0,0,0,0|2,0,0]=3 72 B11R0.3 CCCCCCCCNCCO Amb7757629 [1,0,0,0,0,0|1,0,1]=3 73 B11R0.3 CCCCCCCCOCCN Amb7790956 [1,0,0,0,0,0|2,0,0]=3 74 B11R0.3 CCCCCCCCOCCO Amb9787110 [1,0,0,0,0,0|1,0,1]=3 75 B11R0.3 CCCCCCCCSCCN Amb7794933 [1,0,0,0,0,0|2,0,0]=3 76 B11R0.3 CCCCCCCCSCCO Amb33531593 [1,0,0,0,0,0|1,0,1]=3 77 B11R0.3 CCCCCCCCSCCS Amb9787630 [1,0,0,0,0,0|1,1,0]=3 78 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [1,0,0,0,0,0|0,0,2]=3 79 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [1,0,0,0,0,0|0,0,3]=4 80 B11R0.3 CCCCCCCNCCCC Amb4313708 [1,0,0,0,0,0|1,0,1]=3 81 B11R0.3 CCCCCCCNCCCN Amb18794637 [1,0,0,0,0,0|2,0,0]=3 82 B11R0.3 CCCCCCCNCCCO Amb4304117 [1,0,0,0,0,0|1,0,1]=3 83 B11R0.3 CCCCCCNCCCCC Amb6656070 [1,0,0,0,0,0|1,0,1]=3 84 B11R0.3 CCCCCCNCCCOC Amb7760836 [1,0,0,0,0,0|2,0,1]=4 85 B11R0.3 CCCCCSCCOCCN Amb17501985 [1,0,0,0,0,0|3,0,0]=4 86 B11R0.3 CCCCNCCCCCOC Amb33133268 [1,0,0,0,0,0|2,0,1]=4 87 B11R0.3 CCCCNCCNCCCC Amb20214589 [1,0,0,0,0,0|2,0,1]=4 88 B11R0.3 CCCCOCCOCCCC Amb22168138 [1,0,0,0,0,0|2,0,1]=4 89 B11R0.3 CCCCSCCSCCCC Amb9787613 [1,0,0,0,0,0|2,0,1]=4 90 B11R0.3 CCCC\C=C\CCCCCC Amb22546624 [1,0,0,0,0,0|0,0,3]=4 91 B11R0.3 CCCSCCCCSCCC Amb22366042 [1,0,0,0,0,0|2,0,1]=4 92 B11R0.3 CCNCCCCCCNCC Amb22733571 [1,0,0,0,0,0|2,0,1]=4 93 B11R0.3 CCOCCOCCOCC=O Amb32669837 [1,0,0,0,0,0|3,0,0]=4 94 B11R0.3 CCSCCCCCCSCC Amb9786285 [1,0,0,0,0,0|2,0,1]=4 95 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [1,0,0,0,0,0|0,0,3]=4 96 B11R0.3 ClCCCCCCCCCCCl Amb8514864 [1,0,0,0,0,0|2,0,0]=3 97 B11R0.3 FCCCCCCCCCCF Amb33756851 [1,0,0,0,0,0|2,0,0]=3 98 B11R0.3 ICCCCCCCCCCI Amb10071532 [1,0,0,0,0,0|2,0,0]=3 99 B11R0.3 NCCCCCCCCCCN Amb33446968 [1,0,0,0,0,0|2,0,0]=3 100 B11R0.3 NCCCCCCCCCCN Amb798005 [1,0,0,0,0,0|2,0,0]=3 101 B11R0.3 NCCCCCCCCCCO Amb17607975 [1,0,0,0,0,0|1,0,1]=3 102 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [1,0,0,0,0,0|1,0,0]=2 103 B11R0.3 OCCCCCCCCCCBr Amb2694963 [1,0,0,0,0,0|1,0,1]=3 104 B11R0.3 OCCCCCCCCCCCl Amb10844747 [1,0,0,0,0,0|1,0,1]=3 105 B11R0.3 OCCCCCCCCCCO Amb2721538 [1,0,0,0,0,0|1,0,1]=3 106 B13R0.2 C=CCCCCCCCC(=O)OCC Amb30666619 [0,1,0,0,0,0|2,0,1]=4 107 B13R0.2 C=COC(=O)CCCCCCCCC Amb17672564 [0,1,0,0,0,0|2,0,1]=4 108 B13R0.2 CCCCCCCCCC(=O)CCC Amb9031610 [0,1,0,0,0,0|1,0,2]=4 109 B13R0.2 CCCCCCCCCC(C)CC=O Amb33421993 [0,1,0,0,0,0|0,0,0]=1 110 B13R0.2 CCCCCCCCCC(C)CCO Amb33321507 [0,1,0,0,0,0|0,0,2]=3 111 B13R0.2 CCCCCCCCCC(O)CCO Amb24081769 [0,1,0,0,0,0|0,0,2]=3 112 B13R0.2 CCCCCCCCNC(C)COC Amb7757669 [0,1,0,0,0,0|3,0,0]=4 113 B13R0.2 CCOC(=O)CCCCCCCC=O Amb30666661 [0,1,0,0,0,0|1,0,1]=3 114 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [0,1,0,0,0,0|0,0,2]=3 115 B13R0.54 C=CCCCCCCCCOC(C)=O Amb10563791 [0,1,0,0,0,0|1,0,2]=4 116 B13R0.54 CC(C)CCCCCCCCCCO Amb22055767 [0,1,0,0,0,0|0,0,2]=3 117 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [0,1,0,0,0,0|0,0,0]=1 118 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [0,1,0,0,0,0|0,0,0]=1 119 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [0,1,0,0,0,0|0,0,0]=1 120 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [0,1,0,0,0,0|0,0,0]=1 121 B13R0.54 CCCCCCCCCCCC(C)Br Amb22734063 [0,1,0,0,0,0|1,0,1]=3 122 B13R0.54 CCCCCCCCCCCC(C)N Amb21953727 [0,1,0,0,0,0|1,0,1]=3 123 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [0,1,0,0,0,0|0,0,0]=1 124 B13R0.54 CCCCCCCCCCCC(N)=S Amb13953232 [0,1,0,0,0,0|0,1,0]=2 125 B13R0.54 CCCCCCCCCCCN(C)C Amb8516600 [0,1,0,0,0,0|2,0,0]=3 126 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,1,0,0,0,0|1,0,0]=2 127 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [0,1,0,0,0,0|0,0,2]=3 128 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [0,1,0,0,0,0|0,0,2]=3 129 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,1,0,0,0,0|1,0,0]=2 130 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [0,1,0,0,0,0|1,0,0]=2 131 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [0,1,0,0,0,0|2,0,0]=3 132 B13R0.54 CCCCOCCOCCOC(C)=O Amb8516522 [0,1,0,0,0,0|3,0,0]=4 133 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,1,0,0,0,0|1,0,0]=2 134 B13R0.54 CCCC\C=C/CCCCOC(C)=O Amb4025835 [0,1,0,0,0,0|1,0,2]=4 135 B13R0.54 CN(C)CCCCCCCCCCN Amb24117501 [0,1,0,0,0,0|2,0,1]=4 136 B13R0.54 COCCOCCOCCCC(=O)O Amb32667431 [0,1,0,0,0,0|3,0,0]=4 137 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [0,1,0,0,0,0|1,0,1]=3 138 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,1,0,0,0,0|1,0,0]=2 139 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [0,1,0,0,0,0|1,0,0]=2 140 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [0,1,0,0,0,0|1,0,0]=2 141 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [0,1,0,0,0,0|1,0,0]=2 142 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [0,1,0,0,0,0|1,0,0]=2 143 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [0,1,0,0,0,0|1,0,0]=2 144 B13R0.54 [N-]=[N+]=NCCCCCCCCC(=O)O Amb34913620 [0,1,0,0,0,0|3,0,0]=4 145 B13R0.66 CCCCCCCCS(=O)CCCCl Amb22731437 [0,1,0,0,0,0|2,0,1]=4 146 B13R0.147 C=CC(=O)OCCCCCCCCC Amb20670989 [0,1,0,0,0,0|2,0,1]=4 147 B13R0.147 C=CCCCCCCCCC(=O)OC Amb612439 [0,1,0,0,0,0|2,0,1]=4 148 B13R0.147 CCCCCCCCCCC(=O)NN Amb534278 [0,1,0,0,0,0|2,0,1]=4 149 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,1,0,0,0,0|2,0,1]=4 150 B13R0.147 CCCCCCCCCCC(Br)CBr Amb9787291 [0,1,0,0,0,0|1,0,1]=3 151 B13R0.147 CCCCCCCCCCC(C)C=O Amb32671323 [0,1,0,0,0,0|0,0,0]=1 152 B13R0.147 CCCCCCCCCCC(C)CBr Amb30988003 [0,1,0,0,0,0|1,0,1]=3 153 B13R0.147 CCCCCCCCCCC(C)CO Amb30988002 [0,1,0,0,0,0|0,0,2]=3 154 B13R0.147 CCCCCCCCCCC(Cl)CCl Amb9787269 [0,1,0,0,0,0|1,0,1]=3 155 B13R0.147 CCCCCCCCCCC(O)CO Amb22002456 [0,1,0,0,0,0|0,0,2]=3 156 B13R0.147 CCCCCCCCCNC(C)CC Amb7794406 [0,1,0,0,0,0|2,0,1]=4 157 B13R0.147 CCCCCCCCOCC(O)CO Amb4458899 [0,1,0,0,0,0|1,0,2]=4 158 B13R0.147 COC(=O)CCCCCCCCC=O Amb9787740 [0,1,0,0,0,0|1,0,1]=3 159 B13R0.165 CCCCCCC(=O)CCCCCC Amb1158882 [0,1,0,0,0,0|1,0,2]=4 160 B13R0.165 CCCCCCC(N)COCCOC Amb32716396 [0,1,0,0,0,0|3,0,0]=4 161 B13R0.165 CCCCCCC(O)COCCOC Amb32716372 [0,1,0,0,0,0|3,0,0]=4 162 B13R0.336 BrCCCCCCCCCCCCBr Amb8513538 [0,1,0,0,0,0|1,0,1]=3 163 B13R0.336 C=CCSCCCCCCCCCC Amb9787753 [0,1,0,0,0,0|1,0,0]=2 164 B13R0.336 CCCCCCCCCCCCCBr Amb16234183 [0,1,0,0,0,0|1,0,1]=3 165 B13R0.336 CCCCCCCCCCCCCC Amb8513726 [0,1,0,0,0,0|1,0,1]=3 166 B13R0.336 CCCCCCCCCCCCCCl Amb9787118 [0,1,0,0,0,0|1,0,1]=3 167 B13R0.336 CCCCCCCCCCCCCN Amb8513364 [0,1,0,0,0,0|1,0,1]=3 168 B13R0.336 CCCCCCCCCCCCCO Amb2748034 [0,1,0,0,0,0|0,0,2]=3 169 B13R0.336 CCCCCCCCCCCCNC Amb3941528 [0,1,0,0,0,0|1,0,1]=3 170 B13R0.336 CCCCCCCCCCCCON Amb24117984 [0,1,0,0,0,0|0,0,2]=3 171 B13R0.336 CCCCCCCCCCCN=C=S Amb19883893 [0,1,0,0,0,0|0,1,1]=3 172 B13R0.336 CCCCCCCCCCCSCC Amb32410616 [0,1,0,0,0,0|1,0,1]=3 173 B13R0.336 CCCCCCCCCCNCCC Amb9787079 [0,1,0,0,0,0|1,0,1]=3 174 B13R0.336 CCCCCCCCCCNCCN Amb18333779 [0,1,0,0,0,0|1,0,1]=3 175 B13R0.336 CCCCCCCCCCNCCO Amb9787053 [0,1,0,0,0,0|0,0,2]=3 176 B13R0.336 CCCCCCCCCCOCCCl Amb9787198 [0,1,0,0,0,0|1,0,1]=3 177 B13R0.336 CCCCCCCCCCSCCO Amb1032989 [0,1,0,0,0,0|0,0,2]=3 178 B13R0.336 CCCCCCCCCC\C=C\C#N Amb6600578 [0,1,0,0,0,0|1,0,1]=3 179 B13R0.336 CCCCCCCCCNCCOC Amb7794404 [0,1,0,0,0,0|2,0,0]=3 180 B13R0.336 CCCCCCCOCCOCCCl Amb9786143 [0,1,0,0,0,0|2,0,1]=4 181 B13R0.336 CCCCCCSSCCCCCC Amb6366453 [0,1,0,0,0,0|2,0,1]=4 182 B13R0.336 CCCOCCOCCCCCCCl Amb33620488 [0,1,0,0,0,0|2,0,1]=4 183 B13R0.336 CNCCCCCCCCCCCO Amb32653434 [0,1,0,0,0,0|0,0,2]=3 184 B13R0.336 ClCCCCCCCCCCCCCl Amb8514863 [0,1,0,0,0,0|1,0,1]=3 185 B13R0.336 N#CCCCCCCCCCCCBr Amb31031008 [0,1,0,0,0,0|1,0,1]=3 186 B13R0.336 NCCCCCCCCCCCCN Amb9786762 [0,1,0,0,0,0|1,0,1]=3 187 B13R0.336 NCCCCCCCCCCCCO Amb17608041 [0,1,0,0,0,0|0,0,2]=3 188 B13R0.336 O=CCCCCCCCCCCC=O Amb33456151 [0,1,0,0,0,0|0,0,1]=2 189 B13R0.336 OCCCCCCCCCCCCBr Amb2694964 [0,1,0,0,0,0|0,0,2]=3 190 B13R0.336 OCCCCCCCCCCCCO Amb9787352 [0,1,0,0,0,0|0,0,2]=3 191 B13R0.336 OCCCCCOCCCCCCCl Amb33719428 [0,1,0,0,0,0|1,0,2]=4 192 B13R0.336 SCCCCCCCCCCCCBr Amb32663658 [0,1,0,0,0,0|0,1,1]=3 193 B13R0.336 [N-]=[N+]=NCCCCCCCCCCN Amb34912554 [0,1,0,0,0,0|3,0,0]=4 194 B13R0.336 [N-]=[N+]=NCCCCCCCCCCO Amb17608636 [0,1,0,0,0,0|3,0,0]=4 195 B13R0.338 CCCCCCCC(C)NCCCO Amb7795535 [0,1,0,0,0,0|1,0,2]=4 196 B13R1.28 BrCCCCCCN1CCCCC1 Amb33623701 [0,0,0,1,0,0|2,0,1]=4 197 B13R1.28 CCCCCCCC1CCCCC1 Amb21618900 [0,0,0,1,0,0|1,0,1]=3 198 B13R1.28 CCCCCCCN1CC=CCC1 Amb32428387 [0,0,0,1,0,0|2,0,1]=4 199 B13R1.28 CCCCCCNC1CCCCC1 Amb6658030 [0,0,0,1,0,0|2,0,1]=4 200 B13R1.28 CCCCCCNC1CCCSC1 Amb33212755 [0,0,0,1,0,0|3,0,0]=4 201 B13R1.28 COCCCCNC1CCCCC1 Amb19075466 [0,0,0,1,0,0|3,0,0]=4 202 B13R1.28 COCCCNCC1CCCCC1 Amb876058 [0,0,0,1,0,0|3,0,0]=4 203 B13R1.28 NCCCCCCN1CCCCC1 Amb2613444 [0,0,0,1,0,0|2,0,1]=4 204 B13R1.28 NCCCCCOC1CCCCC1 Amb19058200 [0,0,0,1,0,0|2,0,1]=4 205 B13R1.28 NCCNCCCC1CCCCC1 Amb18104941 [0,0,0,1,0,0|2,0,1]=4 206 B13R1.28 O=CCCCCCN1CCOCC1 Amb33323830 [0,0,0,1,0,0|2,0,0]=3 207 B13R1.34 C#CCCCC1CCCCCC1O Amb24688460 [0,0,0,1,0,0|2,0,1]=4 208 B13R1.34 C#CCCCN1CCCCCC1=O Amb27164338 [0,0,0,1,0,0|1,0,2]=4 209 B13R1.34 C#CCCC[C@@H]1CCCCC[C@H]1O Amb32945796 [0,0,0,1,0,0|2,0,1]=4 210 B13R1.34 C=CCCCC1CCCCCC1O Amb32944831 [0,0,0,1,0,0|2,0,0]=3 211 B13R1.34 C=CCCC[C@@H]1CCCCC[C@H]1O Amb32944362 [0,0,0,1,0,0|2,0,0]=3 212 B13R1.34 CC#CCCC1CCCCNC1=O Amb27791982 [0,0,0,1,0,0|1,0,2]=4 213 B13R1.34 CC1CCCCCC1NCCC#N Amb28388311 [0,0,0,1,0,0|2,0,1]=4 214 B13R1.34 CC1CCCCCC1NC\C=C\Cl Amb28240137 [0,0,0,1,0,0|2,0,1]=4 215 B13R1.34 CC1CCCCCN1CCCC#N Amb27473388 [0,0,0,1,0,0|2,0,1]=4 216 B13R1.34 CCCCCC1CCCCCC1O Amb18328651 [0,0,0,1,0,0|0,0,2]=3 217 B13R1.34 CCCCC[C@@H]1CCCCC[C@H]1O Amb32950644 [0,0,0,1,0,0|0,0,2]=3 218 B13R1.34 CCCCOC1CCCCCC1Br Amb32710524 [0,0,0,1,0,0|2,0,1]=4 219 B13R1.34 CCCCOC1CCCCCC1I Amb33348106 [0,0,0,1,0,0|2,0,1]=4 220 B13R1.34 CCCNCC1CCCCNC1=O Amb32756832 [0,0,0,1,0,0|2,0,0]=3 221 B13R1.34 CCCOCC1CCCCCC1O Amb32950330 [0,0,0,1,0,0|1,0,2]=4 222 B13R1.34 CCCOC[C@@H]1CCCCC[C@H]1O Amb32944327 [0,0,0,1,0,0|1,0,2]=4 223 B13R1.34 COCCCC1CCCCCC1O Amb18329322 [0,0,0,1,0,0|1,0,2]=4 224 B13R1.34 COCCC[C@@H]1CCCCC[C@H]1O Amb33213826 [0,0,0,1,0,0|1,0,2]=4 225 B13R1.84 CCC1CCCCN1CCCCN Amb5357864 [0,0,0,1,0,0|2,0,1]=4 226 B13R1.84 CCCCNC1CCCCC1OC Amb9625521 [0,0,0,1,0,0|3,0,0]=4 227 B13R1.84 CCCCN[C@@H]1CCCC[C@H]1OC Amb31148568 [0,0,0,1,0,0|3,0,0]=4 228 B13R1.119 CCCCCCCCC1OCCO1 Amb22364938 [0,0,0,1,0,0|1,0,2]=4 229 B13R1.119 CCCCCCCNC1CCCC1 Amb7757184 [0,0,0,1,0,0|2,0,1]=4 230 B13R1.119 NCCCCCCCN1CCCC1 Amb6715013 [0,0,0,1,0,0|2,0,1]=4 231 B13R1.154 C=CCOC1CCCCCCC1N Amb35710305 [0,0,0,1,0,0|3,0,0]=4 232 B13R1.154 C=CCSC1CCCCCCC1N Amb27592675 [0,0,0,1,0,0|3,0,0]=4 233 B13R1.154 CCCOC1CCCCCCC1Br Amb24458051 [0,0,0,1,0,0|2,0,1]=4 234 B13R1.154 CCCOC1CCCCCCC1I Amb24420928 [0,0,0,1,0,0|2,0,1]=4 235 B13R1.154 CCCO[C@@H]1CCCCCC[C@H]1O Amb27431426 [0,0,0,1,0,0|1,0,2]=4 236 B13R1.154 N#CCCC1CCCCCCC1=O Amb27599377 [0,0,0,1,0,0|1,0,1]=3 237 B13R1.203 CC1CCCCCCCCCC1O Amb27650320 [0,0,0,1,0,0|0,0,2]=3 238 B13R1.203 C[C@@H]1CCCCCCCCC[C@H]1O Amb27432179 [0,0,0,1,0,0|0,0,2]=3 239 B13R1.203 O=C1CCCCCCCCCC1O Amb28282020 [0,0,0,1,0,0|1,0,0]=2 240 B13R1.203 O[C@@H]1CCCCCCCCC[C@H]1O Amb27970887 [0,0,0,1,0,0|1,0,2]=4 241 B13R1.203 O[C@H]1CCCCCCCCC[C@H]1O Amb28190320 [0,0,0,1,0,0|1,0,2]=4 242 B13R1.207 CCNC1CCCCCCC1SC Amb27490487 [0,0,0,1,0,0|3,0,0]=4 243 B13R1.207 CCSC1CCCCCCC1NC Amb28342708 [0,0,0,1,0,0|3,0,0]=4 244 B13R1.225 C#CCC1CCCCCC1CNC Amb27609253 [0,0,0,1,0,0|2,0,1]=4 245 B13R1.279 CC1CCCCCCCCCCC1 Amb27263841 [0,0,0,1,0,0|1,0,1]=3 246 B13R1.279 ClC1CCCCCCCCCCC1 Amb7766842 [0,0,0,1,0,0|1,0,1]=3 247 B13R1.279 NC1CCCCCCCCCCC1 Amb1116041 [0,0,0,1,0,0|1,0,1]=3 248 B13R1.279 NC1CCCCCCCCCCC1 Amb32410389 [0,0,0,1,0,0|1,0,1]=3 249 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,0,0,1,0,0|0,0,0]=1 250 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,0,0,1,0,0|1,0,0]=2 251 B13R1.279 O=C1CNCCCCCCCCN1 Amb27240963 [0,0,0,1,0,0|2,0,0]=3 252 B13R1.279 OC1CCCCCCCCCCC1 Amb532972 [0,0,0,1,0,0|0,0,2]=3 253 B13R1.279 SC1CCCCCCCCCCC1 Amb7784773 [0,0,0,1,0,0|0,1,1]=3 254 B13R1.378 C#CCN1CCCCCCCC1=O Amb35644112 [0,0,0,1,0,0|1,0,2]=4 255 B13R1.378 N#CCN1CCCCCCCC1=O Amb35704241 [0,0,0,1,0,0|2,0,1]=4 256 B13R1.378 O=C1CCCCCCCN1CCBr Amb30013843 [0,0,0,1,0,0|2,0,0]=3 257 B13R1.378 O=C1CCCCCCCN1CCCl Amb30013842 [0,0,0,1,0,0|2,0,0]=3 258 B13R1.378 O=C1CCCCCCCN1CCS Amb30014000 [0,0,0,1,0,0|2,0,0]=3 259 B13R1.378 O=CCN1CCCCCCCC1=O Amb35594927 [0,0,0,1,0,0|2,0,1]=4 260 B13R1.485 N#CCCC1CCCCC1NC=O Amb18128763 [0,0,0,1,0,0|2,0,1]=4 261 B13R1.485 N#CCC[C@@H]1CCCC[C@H]1NC=O Amb27462204 [0,0,0,1,0,0|2,0,1]=4 262 B13R1.489 BrCCCN1CCCCCCCC1 Amb28461355 [0,0,0,1,0,0|2,0,1]=4 263 B13R1.489 C#CCCN1CCCCCCCC1 Amb27655912 [0,0,0,1,0,0|2,0,1]=4 264 B13R1.489 OCCCN1CCCCCCCC1 Amb28188265 [0,0,0,1,0,0|1,0,2]=4 265 B13R1.555 CC1CCCCN1CCCCCN Amb5357883 [0,0,0,1,0,0|2,0,1]=4 266 B13R1.555 CCCCCNC1CCCCC1C Amb4304138 [0,0,0,1,0,0|2,0,1]=4 267 B13R1.555 CCCCCOC1CCCCC1Br Amb33349376 [0,0,0,1,0,0|2,0,1]=4 268 B13R1.555 CCCCCOC1CCCCC1I Amb33349611 [0,0,0,1,0,0|2,0,1]=4 269 B13R1.555 COCCCNC1CCCCC1C Amb6730175 [0,0,0,1,0,0|3,0,0]=4 270 B13R1.560 CCCCCCCCOC1CNC1 Amb18327049 [0,0,0,1,0,0|3,0,0]=4 271 B13R1.570 C#CCCC1CCCCCC1NC Amb28242142 [0,0,0,1,0,0|2,0,1]=4 272 B13R1.570 C#CCNC1CCCCCC1CC Amb35725727 [0,0,0,1,0,0|2,0,1]=4 273 B13R1.570 CCCNC1CCCCCC1C#N Amb18996787 [0,0,0,1,0,0|2,0,1]=4 274 B13R1.570 CCCSC1CCCCCC1C#N Amb8923956 [0,0,0,1,0,0|2,0,1]=4 275 B13R1.570 C\C=C\CN1CCCCCC1CC Amb27449087 [0,0,0,1,0,0|2,0,1]=4 276 B13R1.602 CN[C@H]1CCCCCCC[C@H]1NC Amb27478027 [0,0,0,1,0,0|3,0,0]=4 277 B13R1.603 N#CC1CCCCCCCCC1O Amb27947012 [0,0,0,1,0,0|2,0,1]=4 278 B13R1.603 [N-]=[N+]=C1CCCCCCCCC1=O Amb17594627 [0,0,0,1,0,0|2,0,1]=4 279 B13R1.623 OCC1C=CCCCCCCCC1 Amb27651764 [0,0,0,1,0,0|2,0,0]=3 280 B13R1.623 OCC1CCCCCCCCCC1 Amb27259064 [0,0,0,1,0,0|0,0,2]=3 281 B13R1.654 CCCCCCCC1CCCC1=O Amb533700 [0,0,0,1,0,0|0,0,0]=1 282 B13R1.654 CCCCCCNC1CCCC1C Amb33496265 [0,0,0,1,0,0|2,0,1]=4 283 B13R1.654 CCCCCCOC1CCCC1Br Amb33348483 [0,0,0,1,0,0|2,0,1]=4 284 B13R1.654 CCCCCCOC1CCCC1I Amb33348903 [0,0,0,1,0,0|2,0,1]=4 285 B13R1.654 COCCCCNC1CCCC1C Amb33440186 [0,0,0,1,0,0|3,0,0]=4 286 B13R1.655 CCCCCCCN1CCC1CN Amb33252052 [0,0,0,1,0,0|2,0,1]=4 287 B13R1.659 BrCCCCCCCCCC1CC1 Amb32992760 [0,0,0,1,0,0|1,0,1]=3 288 B13R1.659 CCCCCCCCCCC1CO1 Amb6600546 [0,0,0,1,0,0|0,0,2]=3 289 B13R1.659 CCCCCCCCCNC1CC1 Amb7794379 [0,0,0,1,0,0|2,0,1]=4 290 B13R1.659 COCCCNCCCCC1CC1 Amb32675846 [0,0,0,1,0,0|3,0,0]=4 291 B13R1.659 NCCCCCCCCCC1CC1 Amb33167100 [0,0,0,1,0,0|1,0,1]=3 292 B13R1.659 O=CCCCCCCCCC1CC1 Amb33167105 [0,0,0,1,0,0|0,0,0]=1 293 B13R1.659 OCCCCCCCCCC1CC1 Amb32992804 [0,0,0,1,0,0|0,0,2]=3 294 B13R1.1150 C#CCCCN1CCCCCCC1 Amb28457300 [0,0,0,1,0,0|2,0,1]=4 295 B13R1.1150 C#CCCNC1CCCCCCC1 Amb28242084 [0,0,0,1,0,0|2,0,1]=4 296 B13R1.1150 CCCCNC1CCCCCCC1 Amb6690973 [0,0,0,1,0,0|2,0,1]=4 297 B13R1.1150 COCCNC1CCCCCCC1 Amb6685583 [0,0,0,1,0,0|3,0,0]=4 298 B13R1.1150 N#CCCNC1CCCCCCC1 Amb2686645 [0,0,0,1,0,0|2,0,1]=4 299 B13R1.1150 NCCCNC1CCCCCCC1 Amb17315276 [0,0,0,1,0,0|2,0,1]=4 300 B13R1.1150 OCCCNC1CCCCCCC1 Amb6733582 [0,0,0,1,0,0|1,0,2]=4 301 B13R1.1887 CCCCCCC1CCCCCN1 Amb2235791 [0,0,0,1,0,0|1,0,1]=3 302 B13R1.1887 COCCCNC1CCCCCC1 Amb35752095 [0,0,0,1,0,0|3,0,0]=4 303 B13R1.1887 COCCCNC1CCCCCC1 Amb6730166 [0,0,0,1,0,0|3,0,0]=4 304 B13R1.1887 NCCCCCN1CCCCCC1 Amb5357890 [0,0,0,1,0,0|2,0,1]=4 305 B13R1.1887 NCCCCOC1CCCCCC1 Amb19058185 [0,0,0,1,0,0|2,0,1]=4 306 B13R1.2883 C1CCCCCCNCCCCC1 Amb6360407 [0,0,0,1,0,0|1,0,1]=3 307 B13R1.2883 C1CCCCNCCCNCCC1 Amb27415631 [0,0,0,1,0,0|2,0,1]=4 308 B10R0.71 BrCCCCCCCCCBr Amb8513101 [2,0,0,0,0,0|2,0,0]=4 309 B10R0.71 C=CCCCCCCCC=O Amb22734770 [2,0,0,0,0,0|0,0,2]=4 310 B10R0.71 C=CCCCCCCCCBr Amb9786895 [2,0,0,0,0,0|1,0,1]=4 311 B10R0.71 C=CCCCCCCCCN Amb28652858 [2,0,0,0,0,0|1,0,1]=4 312 B10R0.71 C=CCCCCCCCCN Amb32653011 [2,0,0,0,0,0|1,0,1]=4 313 B10R0.71 C=CCCCCCCCCO Amb6364973 [2,0,0,0,0,0|1,0,1]=4 314 B10R0.71 CCCCCCCCCC=O Amb3940437 [2,0,0,0,0,0|0,0,0]=2 315 B10R0.71 CCCCCCCCCCBr Amb2721517 [2,0,0,0,0,0|1,0,0]=3 316 B10R0.71 CCCCCCCCCCCl Amb8513081 [2,0,0,0,0,0|1,0,0]=3 317 B10R0.71 CCCCCCCCCCF Amb2688085 [2,0,0,0,0,0|1,0,0]=3 318 B10R0.71 CCCCCCCCCCI Amb3940280 [2,0,0,0,0,0|1,0,0]=3 319 B10R0.71 CCCCCCCCCCN Amb3940460 [2,0,0,0,0,0|1,0,0]=3 320 B10R0.71 CCCCCCCCCCO Amb3940390 [2,0,0,0,0,0|0,0,1]=3 321 B10R0.71 CCCCCCCCCCS Amb9787174 [2,0,0,0,0,0|0,1,0]=3 322 B10R0.71 CCCCCCCCCNC Amb10609826 [2,0,0,0,0,0|1,0,0]=3 323 B10R0.71 CCCCCCCCCNC Amb7761761 [2,0,0,0,0,0|1,0,0]=3 324 B10R0.71 CCCCCCCCN=C=O Amb3940552 [2,0,0,0,0,0|1,0,1]=4 325 B10R0.71 CCCCCCCCNC=O Amb9787543 [2,0,0,0,0,0|1,0,0]=3 326 B10R0.71 CCCCCCCCOCC Amb9787535 [2,0,0,0,0,0|1,0,0]=3 327 B10R0.71 CCCCCCCCOCCl Amb22230404 [2,0,0,0,0,0|2,0,0]=4 328 B10R0.71 CCCCCCCCSCC Amb17672979 [2,0,0,0,0,0|1,0,0]=3 329 B10R0.71 CCCCCCCNCCC Amb4313521 [2,0,0,0,0,0|1,0,0]=3 330 B10R0.71 CCCCCCCNCCO Amb7809068 [2,0,0,0,0,0|1,0,1]=4 331 B10R0.71 CCCCCCCOCCO Amb8515986 [2,0,0,0,0,0|1,0,1]=4 332 B10R0.71 CCCCCCCSCCN Amb7794934 [2,0,0,0,0,0|2,0,0]=4 333 B10R0.71 CCCCCCCSCCO Amb7968786 [2,0,0,0,0,0|1,0,1]=4 334 B10R0.71 CCCCCCC\C=C\C=O Amb8517160 [2,0,0,0,0,0|0,0,2]=4 335 B10R0.71 CCCCCCNCCCC Amb6730566 [2,0,0,0,0,0|1,0,0]=3 336 B10R0.71 CCCCCCNCCCN Amb17315272 [2,0,0,0,0,0|2,0,0]=4 337 B10R0.71 CCCCCCNCCCO Amb7758124 [2,0,0,0,0,0|1,0,1]=4 338 B10R0.71 CCCCCCNCCOC Amb7760715 [2,0,0,0,0,0|2,0,0]=4 339 B10R0.71 CCCCCCOCCCN Amb7764734 [2,0,0,0,0,0|2,0,0]=4 340 B10R0.71 CCCCCNCCCCC Amb3941371 [2,0,0,0,0,0|1,0,0]=3 341 B10R0.71 CCCCCNCCCOC Amb6730381 [2,0,0,0,0,0|2,0,0]=4 342 B10R0.71 CCCCCSCCCCC Amb4020127 [2,0,0,0,0,0|1,0,0]=3 343 B10R0.71 CCCCCSCCCCN Amb17500943 [2,0,0,0,0,0|2,0,0]=4 344 B10R0.71 CCCCC\C=C\CCC=O Amb33512982 [2,0,0,0,0,0|0,0,2]=4 345 B10R0.71 CCCNCCCCCOC Amb18797681 [2,0,0,0,0,0|2,0,0]=4 346 B10R0.71 ClCCCCCCCCCCl Amb8513111 [2,0,0,0,0,0|2,0,0]=4 347 B10R0.71 ICCCCCCCCCI Amb20242392 [2,0,0,0,0,0|2,0,0]=4 348 B10R0.71 NCCCCCCCCCN Amb8513818 [2,0,0,0,0,0|2,0,0]=4 349 B10R0.71 NCCCCCCCCCO Amb34183942 [2,0,0,0,0,0|1,0,1]=4 350 B10R0.71 OCCCCCCCCCBr Amb2694968 [2,0,0,0,0,0|1,0,1]=4 351 B10R0.71 OCCCCCCCCCI Amb32410519 [2,0,0,0,0,0|1,0,1]=4 352 B10R0.71 OCCCCCCCCCO Amb2721246 [2,0,0,0,0,0|1,0,1]=4 353 B10R0.71 SCCCCCCCCCS Amb8513270 [2,0,0,0,0,0|1,1,0]=4 354 B12R0.1 CCCCCCCCC(O)CCC Amb9787107 [1,1,0,0,0,0|0,0,1]=3 355 B12R0.47 CCCCCCC(C)NCCCO Amb7761294 [1,1,0,0,0,0|1,0,1]=4 356 B12R0.47 CCCCCCC(O)CCCCC Amb9787109 [1,1,0,0,0,0|0,0,1]=3 357 B12R0.206 CCCCCCCC(=O)CCCC Amb6366430 [1,1,0,0,0,0|0,0,2]=4 358 B12R0.206 CCCCCCCC(C)NCCO Amb7809070 [1,1,0,0,0,0|1,0,1]=4 359 B12R0.206 CCCCCCNC(C)CCCO Amb33363358 [1,1,0,0,0,0|1,0,1]=4 360 B12R0.206 CCCCN(C)CCCCCCN Amb5357899 [1,1,0,0,0,0|2,0,0]=4 361 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [1,1,0,0,0,0|0,0,2]=4 362 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [1,1,0,0,0,0|0,0,1]=3 363 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [1,1,0,0,0,0|0,0,1]=3 364 B12R0.234 C=CCCCCCCCCC(=O)Cl Amb2721637 [1,1,0,0,0,0|0,0,2]=4 365 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [1,1,0,0,0,0|0,0,2]=4 366 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [1,1,0,0,0,0|0,0,2]=4 367 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [1,1,0,0,0,0|2,0,0]=4 368 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [1,1,0,0,0,0|1,0,1]=4 369 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [1,1,0,0,0,0|0,0,0]=2 370 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [1,1,0,0,0,0|0,0,0]=2 371 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [1,1,0,0,0,0|0,0,0]=2 372 B12R0.234 CCCCCCCCCCC(C)N Amb8869702 [1,1,0,0,0,0|0,0,1]=3 373 B12R0.234 CCCCCCCCCCN(C)C Amb9787202 [1,1,0,0,0,0|1,0,1]=4 374 B12R0.234 CCCCCCCCCOC(=S)[S-] Amb534232 [1,1,0,0,0,0|1,1,0]=4 375 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [1,1,0,0,0,0|1,0,0]=3 376 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [1,1,0,0,0,0|1,0,0]=3 377 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [1,1,0,0,0,0|0,0,2]=4 378 B12R0.234 CCOCCOCCCCC(=O)O Amb9207787 [1,1,0,0,0,0|2,0,0]=4 379 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [1,1,0,0,0,0|1,0,1]=4 380 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [1,1,0,0,0,0|1,0,0]=3 381 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [1,1,0,0,0,0|1,0,0]=3 382 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [1,1,0,0,0,0|1,0,0]=3 383 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [1,1,0,0,0,0|1,0,0]=3 384 B12R0.248 CCCCCCCCCC(C)C=O Amb3940427 [1,1,0,0,0,0|0,0,0]=2 385 B12R0.248 COC(=O)CCCCCCCC=O Amb8391799 [1,1,0,0,0,0|1,0,1]=4 386 B14R0.391 CCCCCCCCCC(C)CC(=O)O Amb28963737 [0,2,0,0,0,0|0,0,0]=2 387 B14R0.391 CCCCCCCCCC(O)CC(=O)O Amb21928747 [0,2,0,0,0,0|0,0,0]=2 388 B14R0.391 CCCCCCCCNC(=O)CC(=O)O Amb28905868 [0,2,0,0,0,0|1,0,1]=4 389 B14R0.391 CCCCCCCCOC(=O)CC(C)=O Amb9787149 [0,2,0,0,0,0|1,0,1]=4 390 B14R0.393 CCCCCCCCCCC(=O)CCC Amb9031611 [0,2,0,0,0,0|1,0,1]=4 391 B14R0.393 CCCCCCCCCCC(O)CCC Amb24099722 [0,2,0,0,0,0|1,0,1]=4 392 B14R0.393 CCCCCCCCCCS(=O)CCO Amb1039004 [0,2,0,0,0,0|0,0,2]=4 393 B14R0.493 CCCCCCCCNC(C)CCCO Amb33363334 [0,2,0,0,0,0|0,0,2]=4 394 B14R0.68 C=C(F)CCCCCCCCCC(=O)O Amb22641506 [0,2,0,0,0,0|0,0,2]=4 395 B14R0.68 CC(C)CCCCCCC\C=C/C(=O)O Amb22586579 [0,2,0,0,0,0|0,0,2]=4 396 B14R0.68 CC(O)CCCCCCCCCC(=O)[O-] Amb30988058 [0,2,0,0,0,0|0,0,0]=2 397 B14R0.68 O=C(O)CCCCCCCCCC(=O)O Amb10807546 [0,2,0,0,0,0|1,0,1]=4 398 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] Amb2686682 [0,2,0,0,0,0|2,0,0]=4 399 B14R0.88 CCCCCCCCOCCS(=O)(=O)Cl Amb32940092 [0,2,0,0,0,0|2,0,0]=4 400 B14R0.88 CCCCCCCOCCCS(=O)(=O)Cl Amb32939931 [0,2,0,0,0,0|2,0,0]=4 401 B14R0.88 CCCCCCOCCCCS(=O)(=O)Cl Amb32940417 [0,2,0,0,0,0|2,0,0]=4 402 B14R0.88 CCCCCOCCCCCS(=O)(=O)Cl Amb32939788 [0,2,0,0,0,0|2,0,0]=4 403 B14R0.88 CCCCOCCCCCCS(=O)(=O)Cl Amb32939875 [0,2,0,0,0,0|2,0,0]=4 404 B14R0.153 CCCCC(=O)NCCCCCC(=O)O Amb6243765 [0,2,0,0,0,0|1,0,1]=4 405 B14R0.231 CCCCCC(=O)CCCCCC(=O)O Amb6305237 [0,2,0,0,0,0|0,0,1]=3 406 B14R0.305 COC(=O)CCCCCCCCC(=O)O Amb6366515 [0,2,0,0,0,0|1,0,1]=4 407 B14R0.305 O=C(O)CCCCCCCCC(O)CO Amb9786104 [0,2,0,0,0,0|1,0,0]=3 408 B14R0.337 C#CC(O)CCCCCCCCCCC Amb22345519 [0,2,0,0,0,0|0,0,2]=4 409 B14R0.337 CCCCCCCCCCCC(=O)NN Amb6572508 [0,2,0,0,0,0|0,0,0]=2 410 B14R0.337 CCCCCCCCCCCC(=O)NO Amb31031031 [0,2,0,0,0,0|0,0,0]=2 411 B14R0.337 CCCCCCCCCCCC(=O)OC Amb4378331 [0,2,0,0,0,0|0,0,0]=2 412 B14R0.337 CCCCCCCCCCCC(Cl)CCl Amb9787197 [0,2,0,0,0,0|1,0,1]=4 413 B14R0.337 CCCCCCCCCCNC(=O)CCl Amb3366789 [0,2,0,0,0,0|1,0,0]=3 414 B14R0.337 CCCCCCCCCCOC(=O)CBr Amb1103529 [0,2,0,0,0,0|1,0,0]=3 415 B14R0.337 CCCCCCCCCCOC(=O)CC Amb9786156 [0,2,0,0,0,0|1,0,0]=3 416 B14R0.337 CCCCCCCCCCOC(=O)CCl Amb6618965 [0,2,0,0,0,0|1,0,0]=3 417 B14R0.337 COC(=O)CCCCCCCCCCBr Amb3354793 [0,2,0,0,0,0|1,0,0]=3 418 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [0,2,0,0,0,0|1,0,0]=3 419 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [0,2,0,0,0,0|1,0,0]=3 420 B14R0.340 CCCCCCCCCCC(Br)C(=O)O Amb8513066 [0,2,0,0,0,0|0,0,0]=2 421 B14R0.340 CCCCCCCCCCC(N)C(=O)O Amb21858489 [0,2,0,0,0,0|0,0,0]=2 422 B14R0.340 CCCCCCCCCCC(O)C(=O)O Amb3987639 [0,2,0,0,0,0|0,0,0]=2 423 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O Amb22745407 [0,2,0,0,0,0|0,0,0]=2 424 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O Amb33836077 [0,2,0,0,0,0|0,0,0]=2 425 B14R0.344 CCCCCCCCC(O)C#CC(=O)O Amb17779806 [0,2,0,0,0,0|0,0,2]=4 426 B14R0.344 CCCCCCCCC(O)CCC(=O)O Amb33313442 [0,2,0,0,0,0|0,0,0]=2 427 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] Amb32652042 [0,2,0,0,0,0|0,0,0]=2 428 B14R0.344 CCCCCCCCS(=O)CCC(=O)O Amb1038995 [0,2,0,0,0,0|1,0,0]=3 429 B14R0.394 C#CCCCCCCCCCCC(=O)O Amb1396957 [0,2,0,0,0,0|0,0,1]=3 430 B14R0.394 C=CCCCCCCCCCCC(=O)O Amb6297458 [0,2,0,0,0,0|0,0,1]=3 431 B14R0.394 CC(C)CCCCCCCCCCC=O Amb22168232 [0,2,0,0,0,0|0,0,0]=2 432 B14R0.394 CCCCCCCCCCCCB(O)O Amb13890365 [0,2,0,0,0,0|0,0,2]=4 433 B14R0.394 CCCCCCCCCCCCC(=O)O Amb8513363 [0,2,0,0,0,0|0,0,0]=2 434 B14R0.394 CCCCCCCCCCCCC(C)=O Amb22730728 [0,2,0,0,0,0|0,0,0]=2 435 B14R0.394 CCCCCCCCCCCCC(C)O Amb8513348 [0,2,0,0,0,0|0,0,2]=4 436 B14R0.394 CCCCCCCCCCCCN(C)C Amb8395263 [0,2,0,0,0,0|1,0,1]=4 437 B14R0.394 CCCCCCCCCCCOC(C)=O Amb6366704 [0,2,0,0,0,0|0,0,0]=2 438 B14R0.394 CCCCCCCCCNCCN(C)C Amb7761766 [0,2,0,0,0,0|2,0,0]=4 439 B14R0.394 CCCCCCCCSCCSC(=N)N Amb1085938 [0,2,0,0,0,0|2,0,0]=4 440 B14R0.394 CCCCCCCCSCCSC(=N)N Amb22283870 [0,2,0,0,0,0|2,0,0]=4 441 B14R0.394 C\C=C\CCCCCCCCOC(C)=O Amb22641577 [0,2,0,0,0,0|0,0,2]=4 442 B14R0.394 N#CCCCCCCCCCCC(=O)O Amb4014736 [0,2,0,0,0,0|0,0,1]=3 443 B14R0.394 NCCCCCCCCCCCC(=O)O Amb3940462 [0,2,0,0,0,0|0,0,0]=2 444 B14R0.394 O=C(O)CCCCCCCCCCCBr Amb3940328 [0,2,0,0,0,0|0,0,0]=2 445 B14R0.394 O=C(O)CCCCCCCCCCCO Amb3940329 [0,2,0,0,0,0|0,0,0]=2 446 B14R0.394 O=C(O)COCCOCCCCCCCl Amb33719366 [0,2,0,0,0,0|2,0,0]=4 447 B14R0.394 [N-]=[N+]=NCCCCCCCCCC(=O)O Amb32668376 [0,2,0,0,0,0|2,0,0]=4 448 B14R0.145 CCCCCCCC(C)NCCCOC Amb7795492 [0,2,0,0,0,0|2,0,0]=4 449 B14R0.145 CCCCCCCC(O)CCCCCC Amb6869645 [0,2,0,0,0,0|1,0,1]=4 450 B14R0.392 C=CCCCCCCCCCCCC=C Amb22641575 [0,2,0,0,0,0|1,0,0]=3 451 B14R0.392 C=CCCCCCCCCCCCCBr Amb31031236 [0,2,0,0,0,0|1,0,0]=3 452 B14R0.392 C=CCCCCCCCCCCCCC Amb6336502 [0,2,0,0,0,0|1,0,0]=3 453 B14R0.392 CCCCCCCCCCCCCC#N Amb4008531 [0,2,0,0,0,0|1,0,1]=4 454 B14R0.392 CCCCCCCCCCCCCC=O Amb3940435 [0,2,0,0,0,0|0,0,0]=2 455 B14R0.392 CCCCCCCCCCCCCCBr Amb8513855 [0,2,0,0,0,0|1,0,1]=4 456 B14R0.392 CCCCCCCCCCCCCCCl Amb8384591 [0,2,0,0,0,0|1,0,1]=4 457 B14R0.392 CCCCCCCCCCCCCCF Amb10840999 [0,2,0,0,0,0|1,0,1]=4 458 B14R0.392 CCCCCCCCCCCCCCO Amb3940391 [0,2,0,0,0,0|0,0,2]=4 459 B14R0.392 CCCCCCCCCCCCCNC Amb10241352 [0,2,0,0,0,0|1,0,1]=4 460 B14R0.392 CCCCCCCCCCCCC[NH2+]C Amb9787093 [0,2,0,0,0,0|1,0,1]=4 461 B14R0.392 CCCCCCCCCCCCN=C=O Amb20671279 [0,2,0,0,0,0|0,0,1]=3 462 B14R0.392 CCCCCCCCCCCCN=C=S Amb6860856 [0,2,0,0,0,0|0,1,1]=4 463 B14R0.392 CCCCCCCCCCCCN=[N+]=[N-] Amb33249645 [0,2,0,0,0,0|1,0,1]=4 464 B14R0.392 CCCCCCCCCCCCSC#N Amb6366407 [0,2,0,0,0,0|0,1,1]=4 465 B14R0.392 CCCCCCCCCCCCSCC Amb4008818 [0,2,0,0,0,0|0,1,1]=4 466 B14R0.392 CCCCCCCCCCCNCCC Amb9787065 [0,2,0,0,0,0|1,0,1]=4 467 B14R0.392 CCCCCCCCCCCOCCO Amb9787691 [0,2,0,0,0,0|0,0,2]=4 468 B14R0.392 CCCCCCCCCCC[NH2+]CCC Amb9787083 [0,2,0,0,0,0|1,0,1]=4 469 B14R0.392 CCCCCCCCCCOCCC#N Amb9787156 [0,2,0,0,0,0|1,0,1]=4 470 B14R0.392 CCCCCCCCCNCCCCC Amb7761764 [0,2,0,0,0,0|1,0,1]=4 471 B14R0.392 CCCCCCCCC[NH2+]CCCCC Amb9787092 [0,2,0,0,0,0|1,0,1]=4 472 B14R0.392 CCCCCCCCNCCCCCC Amb7757641 [0,2,0,0,0,0|1,0,1]=4 473 B14R0.392 CCCCCCCCNCCOCCO Amb7757673 [0,2,0,0,0,0|0,0,2]=4 474 B14R0.392 CCCCCCCCOCCOCCO Amb8513230 [0,2,0,0,0,0|0,0,2]=4 475 B14R0.392 CCCCCCCCOCCOCCS Amb9786149 [0,2,0,0,0,0|0,1,1]=4 476 B14R0.392 CCCCCCCNCCCCCCC Amb495299 [0,2,0,0,0,0|1,0,1]=4 477 B14R0.392 CCCCCCCNCCCCCCC Amb839439 [0,2,0,0,0,0|1,0,1]=4 478 B14R0.392 CCCCCCCOCCCCCCC Amb4008530 [0,2,0,0,0,0|1,0,1]=4 479 B14R0.392 CCCCCCCSCCCCCCC Amb9787168 [0,2,0,0,0,0|1,0,1]=4 480 B14R0.392 CCCC\C=C/CCCCCCCCO Amb24053303 [0,2,0,0,0,0|0,0,2]=4 481 B14R0.392 CCC\C=C/C=C/CCCCCCC=O Amb21965169 [0,2,0,0,0,0|0,0,2]=4 482 B14R0.392 CC\C=C/CCCCCCCCCCO Amb33756791 [0,2,0,0,0,0|0,0,2]=4 483 B14R0.392 CC\C=C\CCCCCCCCCC=O Amb2721580 [0,2,0,0,0,0|0,0,0]=2 484 B14R0.392 CC\C=C\CCCCCCCCCCO Amb539676 [0,2,0,0,0,0|0,0,2]=4 485 B14R0.392 COCCOCCOCCOCCC=O Amb16184499 [0,2,0,0,0,0|2,0,0]=4 486 B14R0.392 NCCCCCCNCCCCCCN Amb2720521 [0,2,0,0,0,0|1,0,1]=4 487 B14R0.392 OCCCCCCCCCCCCCBr Amb534144 [0,2,0,0,0,0|0,0,2]=4 488 B14R0.392 OCCCCCCCCCCCCCO Amb10603348 [0,2,0,0,0,0|0,0,2]=4 489 B14R0.392 [N-]=[N+]=NCCCCCCCCCCCN Amb34912553 [0,2,0,0,0,0|2,0,0]=4 490 B14R0.392 [N-]=[N+]=NCCCCCCCCCCCN Amb34932691 [0,2,0,0,0,0|2,0,0]=4 491 B14R0.392 [N-]=[N+]=NCCCCCCCCCCCO Amb34912552 [0,2,0,0,0,0|2,0,0]=4 492 B14R0.392 [N-]=[N+]=NCCCCCCCCCCCS Amb31030998 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.8 BrCCCCCN1CCCCC1 Amb33624633 [1,0,0,1,0,0|2,0,0]=4 494 B12R1.8 BrCCCCOC1CCCCC1 Amb8855440 [1,0,0,1,0,0|2,0,0]=4 495 B12R1.8 CCCCCCC1CCCCC1 Amb22230753 [1,0,0,1,0,0|0,0,1]=3 496 B12R1.8 CCCCCCC1CCCCN1 Amb2235857 [1,0,0,1,0,0|1,0,0]=3 497 B12R1.8 CCCCCCC1CCCCN1 Amb3788214 [1,0,0,1,0,0|1,0,0]=3 498 B12R1.8 CCCCCCC1CCCNC1 Amb22642853 [1,0,0,1,0,0|1,0,1]=4 499 B12R1.8 CCCCCCC1CCNCC1 Amb35745608 [1,0,0,1,0,0|1,0,1]=4 500 B12R1.8 CCCCCCC1CCNCC1 Amb3933576 [1,0,0,1,0,0|1,0,1]=4 501 B12R1.8 CCCCOCC1CCCCN1 Amb18802453 [1,0,0,1,0,0|2,0,0]=4 502 B12R1.8 CCCNCCC1=CCCCC1 Amb1834835 [1,0,0,1,0,0|1,0,1]=4 503 B12R1.8 CCCNCCC1=CCCCC1 Amb6335363 [1,0,0,1,0,0|1,0,1]=4 504 B12R1.8 CCCSCCC1CCCCN1 Amb17503510 [1,0,0,1,0,0|2,0,0]=4 505 B12R1.8 ClCCCCCN1CCCCC1 Amb19515039 [1,0,0,1,0,0|2,0,0]=4 506 B12R1.8 ClCCCCOC1CCCCC1 Amb19073215 [1,0,0,1,0,0|2,0,0]=4 507 B12R1.8 NCCCCCC1CCCCC1 Amb18825833 [1,0,0,1,0,0|1,0,0]=3 508 B12R1.8 NCCCCCN1CCCCC1 Amb34914067 [1,0,0,1,0,0|2,0,0]=4 509 B12R1.8 NCCCCCN1CCCCC1 Amb5357882 [1,0,0,1,0,0|2,0,0]=4 510 B12R1.8 NCCCOCC1CCCCC1 Amb18802489 [1,0,0,1,0,0|2,0,0]=4 511 B12R1.8 O=C=NCCCC1CCCCC1 Amb33449653 [1,0,0,1,0,0|1,0,1]=4 512 B12R1.8 O=CCCC#CC1CCCCC1 Amb27816394 [1,0,0,1,0,0|0,0,2]=4 513 B12R1.8 O=CCCCCC1CCCCC1 Amb33359606 [1,0,0,1,0,0|0,0,0]=2 514 B12R1.8 O=CCCCCN1CCOCC1 Amb33324401 [1,0,0,1,0,0|2,0,0]=4 515 B12R1.8 OCCCCCN1CCCCC1 Amb13883419 [1,0,0,1,0,0|1,0,1]=4 516 B12R1.8 OCCCCNC1CCCCC1 Amb6334829 [1,0,0,1,0,0|1,0,1]=4 517 B12R1.8 OCCCNCC1CCCCC1 Amb6733597 [1,0,0,1,0,0|1,0,1]=4 518 B12R1.18 C#CCCC1CCCCCC1=O Amb27814092 [1,0,0,1,0,0|0,0,2]=4 519 B12R1.18 C=C1CCCCCC1CCCO Amb27457881 [1,0,0,1,0,0|1,0,1]=4 520 B12R1.18 C=CCCC1CCCCCC1O Amb27480225 [1,0,0,1,0,0|1,0,1]=4 521 B12R1.18 C=CCCN1CCCCCC1C Amb27756864 [1,0,0,1,0,0|1,0,1]=4 522 B12R1.18 C=CCC[C@@H]1CCCCC[C@H]1O Amb33213933 [1,0,0,1,0,0|1,0,1]=4 523 B12R1.18 CC1CCCCCC1NCCF Amb28286000 [1,0,0,1,0,0|2,0,0]=4 524 B12R1.18 CC1CCCCCN1CCC=O Amb27779071 [1,0,0,1,0,0|1,0,0]=3 525 B12R1.18 CC1CCCCCN1CCCCl Amb27212852 [1,0,0,1,0,0|2,0,0]=4 526 B12R1.18 CC1CCCCCN1CCCO Amb27254073 [1,0,0,1,0,0|1,0,1]=4 527 B12R1.18 CCCCC1CCCC=CC1=O Amb28199947 [1,0,0,1,0,0|0,0,2]=4 528 B12R1.18 CCCCC1CCCCCC1=O Amb18799266 [1,0,0,1,0,0|0,0,0]=2 529 B12R1.18 CCCCC1CCCCCC1Br Amb28365719 [1,0,0,1,0,0|1,0,0]=3 530 B12R1.18 CCCCC1CCCCCC1Cl Amb28187102 [1,0,0,1,0,0|1,0,0]=3 531 B12R1.18 CCCCC1CCCCCC1O Amb18806714 [1,0,0,1,0,0|0,0,1]=3 532 B12R1.18 CCCCC1CCCCNC1=O Amb27770065 [1,0,0,1,0,0|1,0,0]=3 533 B12R1.18 CCCCC1NCCCCC1C Amb27986201 [1,0,0,1,0,0|1,0,1]=4 534 B12R1.18 CCCCC1NCCCNC1=O Amb32719900 [1,0,0,1,0,0|2,0,0]=4 535 B12R1.18 CCCCN1CCCNCC1=O Amb26644654 [1,0,0,1,0,0|2,0,0]=4 536 B12R1.18 CCCCN1CCNCCC1=O Amb21959310 [1,0,0,1,0,0|2,0,0]=4 537 B12R1.18 CCCC[C@@H]1CCCCC[C@H]1O Amb26435137 [1,0,0,1,0,0|0,0,1]=3 538 B12R1.18 CCCOC1CCCCCC1Br Amb26431584 [1,0,0,1,0,0|2,0,0]=4 539 B12R1.18 CCCOC1CCCCCC1I Amb25188247 [1,0,0,1,0,0|2,0,0]=4 540 B12R1.18 CCCSC1CCCCCC1O Amb27444903 [1,0,0,1,0,0|1,0,1]=4 541 B12R1.18 CCCSC1CCCCNC1=O Amb27203415 [1,0,0,1,0,0|2,0,0]=4 542 B12R1.18 CCOCC1CCCCCC1=O Amb27465325 [1,0,0,1,0,0|1,0,0]=3 543 B12R1.18 CCOCC1CCCCCC1O Amb27628602 [1,0,0,1,0,0|1,0,1]=4 544 B12R1.18 CCOC[C@@H]1CCCCC[C@H]1O Amb33212821 [1,0,0,1,0,0|1,0,1]=4 545 B12R1.18 CN1CCCCCC1CCCN Amb18198764 [1,0,0,1,0,0|2,0,0]=4 546 B12R1.18 CNCCN1CCCCCC1=O Amb18977654 [1,0,0,1,0,0|2,0,0]=4 547 B12R1.18 COCCC1CCCCCC1Br Amb27397473 [1,0,0,1,0,0|2,0,0]=4 548 B12R1.18 COCCC1CCCCCC1O Amb18807461 [1,0,0,1,0,0|1,0,1]=4 549 B12R1.18 CSCCC1CCCCCC1Br Amb27770850 [1,0,0,1,0,0|2,0,0]=4 550 B12R1.18 NCCCN1CCCCCC1=O Amb1153735 [1,0,0,1,0,0|2,0,0]=4 551 B12R1.18 NCCCN1CCCCCC1=O Amb28991407 [1,0,0,1,0,0|2,0,0]=4 552 B12R1.18 O=C1CCCCCC1CCCO Amb27614789 [1,0,0,1,0,0|1,0,0]=3 553 B12R1.18 O=C1NCCCCC1CCCO Amb27157529 [1,0,0,1,0,0|2,0,0]=4 554 B12R1.18 O=CCCC1CCCCCC1=O Amb28123079 [1,0,0,1,0,0|1,0,1]=4 555 B12R1.37 BrCCCCCCN1CCCC1 Amb33624789 [1,0,0,1,0,0|2,0,0]=4 556 B12R1.37 BrCCCCCOC1CCCC1 Amb32689538 [1,0,0,1,0,0|2,0,0]=4 557 B12R1.37 BrCCCCOCC1CCCC1 Amb32690549 [1,0,0,1,0,0|2,0,0]=4 558 B12R1.37 CCCCCCCC1CCCN1 Amb3788212 [1,0,0,1,0,0|1,0,0]=3 559 B12R1.37 CCCCCCCC1OCCO1 Amb25368281 [1,0,0,1,0,0|1,0,1]=4 560 B12R1.37 CCCCCCNC1CCCC1 Amb6730518 [1,0,0,1,0,0|1,0,1]=4 561 B12R1.37 CCCCCNCC1CCCO1 Amb6708057 [1,0,0,1,0,0|1,0,1]=4 562 B12R1.37 ClCCCCCOC1CCCC1 Amb9001646 [1,0,0,1,0,0|2,0,0]=4 563 B12R1.37 ClCCCCOCC1CCCC1 Amb32690548 [1,0,0,1,0,0|2,0,0]=4 564 B12R1.37 NCCCCCCC1CCCC1 Amb33380241 [1,0,0,1,0,0|1,0,0]=3 565 B12R1.37 NCCCCCCN1CCCC1 Amb2613450 [1,0,0,1,0,0|2,0,0]=4 566 B12R1.37 NCCCOCCC1CCCC1 Amb33449988 [1,0,0,1,0,0|2,0,0]=4 567 B12R1.37 O=C=NCCCCC1CCCC1 Amb33374588 [1,0,0,1,0,0|1,0,1]=4 568 B12R1.37 O=CCCCCCC1CCCC1 Amb33380237 [1,0,0,1,0,0|0,0,0]=2 569 B12R1.37 O=CCCCCCN1CCCC1 Amb33274869 [1,0,0,1,0,0|1,0,0]=3 570 B12R1.52 C=CCC1CCCCCCC1O Amb27604455 [1,0,0,1,0,0|1,0,1]=4 571 B12R1.52 C=CC[C@@H]1CCCCCC[C@H]1O Amb27457903 [1,0,0,1,0,0|1,0,1]=4 572 B12R1.52 CCOC1CCCCCCC1Br Amb26615083 [1,0,0,1,0,0|2,0,0]=4 573 B12R1.52 CCOC1CCCCCCC1I Amb25130056 [1,0,0,1,0,0|2,0,0]=4 574 B12R1.52 CCOC1CCCCCCC1O Amb18807444 [1,0,0,1,0,0|1,0,1]=4 575 B12R1.52 CCSC1CCCCCCC1N Amb28288745 [1,0,0,1,0,0|2,0,0]=4 576 B12R1.52 CC\C=C1/CCCCCCC1=O Amb27954034 [1,0,0,1,0,0|0,0,2]=4 577 B12R1.52 CC\C=C1\CCCCCCC1=O Amb26484217 [1,0,0,1,0,0|0,0,2]=4 578 B12R1.52 N#CCC1CCCCCCC1=O Amb28058875 [1,0,0,1,0,0|1,0,1]=4 579 B12R1.52 O=CCC1CCCCCCC1=O Amb27830090 [1,0,0,1,0,0|1,0,1]=4 580 B12R1.73 CN1CCCCCCCC1CN Amb27636671 [1,0,0,1,0,0|2,0,0]=4 581 B12R1.73 CN1CCCCCCCC1CO Amb28368837 [1,0,0,1,0,0|1,0,1]=4 582 B12R1.121 CCC1CCCCC1NCCO Amb19018948 [1,0,0,1,0,0|1,0,1]=4 583 B12R1.121 CCC1CCCCC1OCCO Amb18807445 [1,0,0,1,0,0|1,0,1]=4 584 B12R1.121 CCC1CCCCN1CCCCl Amb17336179 [1,0,0,1,0,0|2,0,0]=4 585 B12R1.121 CCC1CCCCN1CCCN Amb9703676 [1,0,0,1,0,0|2,0,0]=4 586 B12R1.121 CCC1CCCCN1CCCO Amb9246593 [1,0,0,1,0,0|1,0,1]=4 587 B12R1.121 CCCCC1NCCCC1CN Amb33500847 [1,0,0,1,0,0|2,0,0]=4 588 B12R1.121 CCCCN1CCCCC1CN Amb9731141 [1,0,0,1,0,0|2,0,0]=4 589 B12R1.121 CCCCN1CCCC[C@@H]1CN Amb33218413 [1,0,0,1,0,0|2,0,0]=4 590 B12R1.121 CCCCN1CCCC[C@H]1CN Amb33218400 [1,0,0,1,0,0|2,0,0]=4 591 B12R1.150 C=C1CCCCCCCCC1O Amb27432139 [1,0,0,1,0,0|1,0,1]=4 592 B12R1.150 C[C@@H]1CCCCCCCNC1=O Amb28047251 [1,0,0,1,0,0|1,0,0]=3 593 B12R1.150 C[C@H]1CCCCCCCNC1=O Amb28059295 [1,0,0,1,0,0|1,0,0]=3 594 B12R1.150 Cl[C@@H]1CCCCCCCC[C@H]1Cl Amb28130442 [1,0,0,1,0,0|2,0,0]=4 595 B12R1.150 NC1CCCCCCCCC1O Amb25152507 [1,0,0,1,0,0|1,0,1]=4 596 B12R1.150 O=C1CCCCCCCCC1=O Amb17594209 [1,0,0,1,0,0|1,0,1]=4 597 B12R1.150 O=C1CCCCCCCCC1Br Amb28244232 [1,0,0,1,0,0|1,0,0]=3 598 B12R1.150 O=C1CCCCCCCCC1Cl Amb27233508 [1,0,0,1,0,0|1,0,0]=3 599 B12R1.150 O=C1CCCCCCCCC1F Amb27828822 [1,0,0,1,0,0|1,0,0]=3 600 B12R1.150 O=C1CCCCCCCCC1O Amb4017052 [1,0,0,1,0,0|1,0,0]=3 601 B12R1.150 O=C1NCCCCCCCC1Br Amb27410410 [1,0,0,1,0,0|2,0,0]=4 602 B12R1.150 OC1CCCCCCCCC1Cl Amb27828119 [1,0,0,1,0,0|1,0,1]=4 603 B12R1.150 OC1CCCCCCCCC1O Amb17594327 [1,0,0,1,0,0|1,0,1]=4 604 B12R1.150 O[C@@H]1CCCCCCCC[C@H]1Cl Amb28132360 [1,0,0,1,0,0|1,0,1]=4 605 B12R1.150 O[C@@H]1CCCCCCCC[C@H]1O Amb28290410 [1,0,0,1,0,0|1,0,1]=4 606 B12R1.173 OCCN1CCCCCCCC1 Amb27980603 [1,0,0,1,0,0|1,0,1]=4 607 B12R1.215 O=C1CCC#CCCCCCC1 Amb27869824 [1,0,0,1,0,0|0,0,2]=4 608 B12R1.215 O=C1CCCC#CCCCCC1 Amb27234351 [1,0,0,1,0,0|0,0,2]=4 609 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [1,0,0,1,0,0|0,0,0]=2 610 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [1,0,0,1,0,0|1,0,0]=3 611 B12R1.215 O=C1CCCCCOCCCC1 Amb27177976 [1,0,0,1,0,0|1,0,0]=3 612 B12R1.215 O=C1CCNCCCCCCN1 Amb25704380 [1,0,0,1,0,0|2,0,0]=4 613 B12R1.267 C#CCCCC1CCCCC1=O Amb27175821 [1,0,0,1,0,0|0,0,2]=4 614 B12R1.267 C=CCCCC1CCCCC1=O Amb17594142 [1,0,0,1,0,0|0,0,2]=4 615 B12R1.267 C=CCCCC1CCCCC1O Amb33213369 [1,0,0,1,0,0|1,0,1]=4 616 B12R1.267 C=CCCC[C@@H]1CCCC[C@H]1O Amb32945331 [1,0,0,1,0,0|1,0,1]=4 617 B12R1.267 CC#CCCC1CCCCC1=O Amb27256491 [1,0,0,1,0,0|0,0,2]=4 618 B12R1.267 CC1CCCCC1NCCCN Amb17315297 [1,0,0,1,0,0|2,0,0]=4 619 B12R1.267 CC1CCCCC1NCCCO Amb4304111 [1,0,0,1,0,0|1,0,1]=4 620 B12R1.267 CC1CCCCN1CCCCCl Amb17336177 [1,0,0,1,0,0|2,0,0]=4 621 B12R1.267 CC1CCCCN1CCCCN Amb5357863 [1,0,0,1,0,0|2,0,0]=4 622 B12R1.267 CCC#CCC1CCCCC1=O Amb27599447 [1,0,0,1,0,0|0,0,2]=4 623 B12R1.267 CCCCCC1CCCCC1=O Amb18788895 [1,0,0,1,0,0|0,0,0]=2 624 B12R1.267 CCCCCC1CCCCC1O Amb18806707 [1,0,0,1,0,0|0,0,1]=3 625 B12R1.267 CCCCC[C@@H]1CCCC[C@H]1O Amb32944228 [1,0,0,1,0,0|0,0,1]=3 626 B12R1.267 CCCCNC1CCCCC1C Amb6690979 [1,0,0,1,0,0|1,0,1]=4 627 B12R1.267 CCCCOC1CCCCC1Br Amb33349372 [1,0,0,1,0,0|2,0,0]=4 628 B12R1.267 CCCCOC1CCCCC1I Amb33349604 [1,0,0,1,0,0|2,0,0]=4 629 B12R1.267 CCCC\C=C1/CCCCC1=O Amb27176057 [1,0,0,1,0,0|0,0,2]=4 630 B12R1.267 CCCC\C=C1\CCCCC1=O Amb26548610 [1,0,0,1,0,0|0,0,2]=4 631 B12R1.267 CCCNCC1CCCNC1=O Amb32756838 [1,0,0,1,0,0|2,0,0]=4 632 B12R1.267 CCCOCC1CCCCC1O Amb33213642 [1,0,0,1,0,0|1,0,1]=4 633 B12R1.267 CCCOC[C@@H]1CCCC[C@H]1O Amb32945321 [1,0,0,1,0,0|1,0,1]=4 634 B12R1.267 CCC\C=C\[C@H]1CCCCC1=O Amb28321855 [1,0,0,1,0,0|0,0,2]=4 635 B12R1.267 CN1CCCCC1CCCC=O Amb33322453 [1,0,0,1,0,0|1,0,0]=3 636 B12R1.267 CN1CCCCC1CCCCN Amb33322457 [1,0,0,1,0,0|2,0,0]=4 637 B12R1.267 COCCCC1CCCCC1O Amb18807460 [1,0,0,1,0,0|1,0,1]=4 638 B12R1.267 COCCC[C@@H]1CCCC[C@H]1O Amb32945788 [1,0,0,1,0,0|1,0,1]=4 639 B12R1.267 C\C=C\CCC1CCCCC1=O Amb26592783 [1,0,0,1,0,0|0,0,2]=4 640 B12R1.267 N#CCCCC1CCCCC1=O Amb18646376 [1,0,0,1,0,0|1,0,1]=4 641 B12R1.267 NCCCCN1CCCCC1=O Amb6751260 [1,0,0,1,0,0|2,0,0]=4 642 B12R1.267 O=C1CCCCC1CNCCBr Amb1146038 [1,0,0,1,0,0|2,0,0]=4 643 B12R1.267 O=C1CCCCC1CNCCBr Amb2602398 [1,0,0,1,0,0|2,0,0]=4 644 B12R1.281 C=CCC1CCCCCC1NC Amb18799003 [1,0,0,1,0,0|1,0,1]=4 645 B12R1.281 CCC1CCCCCC1CCN Amb35733868 [1,0,0,1,0,0|1,0,0]=3 646 B12R1.281 CCC1CCCCCN1CCI Amb28207013 [1,0,0,1,0,0|2,0,0]=4 647 B12R1.281 CCC1CCCCCN1CCO Amb27601383 [1,0,0,1,0,0|1,0,1]=4 648 B12R1.281 CCC1CCCCCN1CCS Amb27640921 [1,0,0,1,0,0|1,1,0]=4 649 B12R1.281 CCCC1CCCCCC1NC Amb18801600 [1,0,0,1,0,0|1,0,1]=4 650 B12R1.281 CCN1CCCCCC1CCO Amb27187666 [1,0,0,1,0,0|1,0,1]=4 651 B12R1.281 CCNC1CCCCCC1CO Amb27190715 [1,0,0,1,0,0|1,0,1]=4 652 B12R1.281 CCSC1CCCCCC1CN Amb9391478 [1,0,0,1,0,0|2,0,0]=4 653 B12R1.329 C=CCNC1CCCCCCC1 Amb32652162 [1,0,0,1,0,0|1,0,1]=4 654 B12R1.329 C=CCNC1CCCCCCC1 Amb6683796 [1,0,0,1,0,0|1,0,1]=4 655 B12R1.329 CCCNC1C=CCCCCC1 Amb27770740 [1,0,0,1,0,0|1,0,1]=4 656 B12R1.329 CCNCC1=CCCCCCC1 Amb28364817 [1,0,0,1,0,0|1,0,1]=4 657 B12R1.329 CCNCC1CCCCCCN1 Amb27465063 [1,0,0,1,0,0|2,0,0]=4 658 B12R1.329 CNCCC1CCCCCCC1 Amb18563069 [1,0,0,1,0,0|1,0,1]=4 659 B12R1.329 FCCNC1CCCCCCC1 Amb27950263 [1,0,0,1,0,0|2,0,0]=4 660 B12R1.329 ICCCN1CCCCCCC1 Amb27451540 [1,0,0,1,0,0|2,0,0]=4 661 B12R1.329 O=CCCC1C=CCCCCC1 Amb28255663 [1,0,0,1,0,0|0,0,2]=4 662 B12R1.329 O=C\C=C\C1CCCCCCC1 Amb28315294 [1,0,0,1,0,0|0,0,2]=4 663 B12R1.329 OCCCC1CCCCCCN1 Amb18198426 [1,0,0,1,0,0|1,0,1]=4 664 B12R1.329 OCCCN1CCCCCCC1 Amb9246713 [1,0,0,1,0,0|1,0,1]=4 665 B12R1.329 OCCNC1CCCCCCC1 Amb32729413 [1,0,0,1,0,0|1,0,1]=4 666 B12R1.329 OCCNC1CCCCCCC1 Amb6710305 [1,0,0,1,0,0|1,0,1]=4 667 B12R1.329 SCCNC1CCCCCCC1 Amb26371947 [1,0,0,1,0,0|1,1,0]=4 668 B12R1.372 CCCCCCC1=CCCC1=O Amb533163 [1,0,0,1,0,0|0,0,2]=4 669 B12R1.372 CCCCCCC1CCCC1=O Amb621142 [1,0,0,1,0,0|0,0,0]=2 670 B12R1.372 CCCCCCN1CCCC1=O Amb8387412 [1,0,0,1,0,0|1,0,0]=3 671 B12R1.372 CCCCCOC1CCCC1Br Amb33129925 [1,0,0,1,0,0|2,0,0]=4 672 B12R1.372 CCCCCOC1CCCC1I Amb33348895 [1,0,0,1,0,0|2,0,0]=4 673 B12R1.372 CN1CCCC1CCCCC=O Amb33320354 [1,0,0,1,0,0|1,0,0]=3 674 B12R1.372 CN1CCCC1CCCCCN Amb33320356 [1,0,0,1,0,0|2,0,0]=4 675 B12R1.373 CCCCCCN1CCC1CN Amb33252021 [1,0,0,1,0,0|2,0,0]=4 676 B12R1.375 CCCCNCCCCC1CC1 Amb32675845 [1,0,0,1,0,0|1,0,1]=4 677 B12R1.383 CC1CCC1CNCCCCO Amb32421511 [1,0,0,1,0,0|1,0,1]=4 678 B12R1.399 O=CN1CCCCCCC1CO Amb27179762 [1,0,0,1,0,0|2,0,0]=4 679 B12R1.399 OCC1CCCCCCC1CO Amb27472666 [1,0,0,1,0,0|1,0,1]=4 680 B12R1.410 CCC1CCCCCCCCC1 Amb6359494 [1,0,0,1,0,0|0,0,1]=3 681 B12R1.410 CNC1CCCCCCCCC1 Amb13883575 [1,0,0,1,0,0|1,0,1]=4 682 B12R1.410 OCC1CCCCCCCCC1 Amb28189439 [1,0,0,1,0,0|0,0,1]=3 683 B12R1.410 OCC1CCCCNCCCC1 Amb27259380 [1,0,0,1,0,0|1,0,1]=4 684 B12R1.458 CCCC1CCC1CNCCN Amb32420104 [1,0,0,1,0,0|2,0,0]=4 685 B12R1.550 C1=CCCCCCCCCCC1 Amb534273 [1,0,0,1,0,0|0,0,1]=3 686 B12R1.550 C1=CCCCCCCCCCC1 Amb9787102 [1,0,0,1,0,0|0,0,1]=3 687 B12R1.550 C1CCCCNCCNCCC1 Amb28135408 [1,0,0,1,0,0|2,0,0]=4 688 B12R1.550 C1CCNCCCCCNCC1 Amb24743503 [1,0,0,1,0,0|2,0,0]=4 689 B12R1.1414 CCCCNC1CCCCCC1 Amb22587068 [1,0,0,1,0,0|1,0,1]=4 690 B12R1.1414 CCCCNC1CCCCCC1 Amb6690970 [1,0,0,1,0,0|1,0,1]=4 691 B12R1.1414 ClCCCCN1CCCCCC1 Amb17336176 [1,0,0,1,0,0|2,0,0]=4 692 B12R1.1414 NCCCCC1CCCCCC1 Amb33079329 [1,0,0,1,0,0|1,0,0]=3 693 B12R1.1414 NCCCCN1CCCCCC1 Amb22586873 [1,0,0,1,0,0|2,0,0]=4 694 B12R1.1414 NCCCCN1CCCCCC1 Amb5357868 [1,0,0,1,0,0|2,0,0]=4 695 B12R1.1414 NCCCNC1CCCCCC1 Amb17315279 [1,0,0,1,0,0|2,0,0]=4 696 B12R1.1414 NCCCOC1CCCCCC1 Amb19025686 [1,0,0,1,0,0|2,0,0]=4 697 B12R1.1414 O=C=NCCC1CCCCCC1 Amb25222900 [1,0,0,1,0,0|1,0,1]=4 698 B12R1.1414 O=CCCCC1CCCCCC1 Amb32880555 [1,0,0,1,0,0|0,0,0]=2 699 B12R1.1414 OCCCCN1CCCCCC1 Amb3204766 [1,0,0,1,0,0|1,0,1]=4 700 B12R1.1414 OCCCNC1CCCCCC1 Amb35752311 [1,0,0,1,0,0|1,0,1]=4 701 B12R1.1414 OCCCNC1CCCCCC1 Amb6733580 [1,0,0,1,0,0|1,0,1]=4 702 B14R1.26 CCCCCCCC1CCCC(=O)O1 Amb767091 [0,1,0,1,0,0|0,0,0]=2 703 B14R1.26 N#CCCCCCC1CCCC(=O)C1 Amb6302010 [0,1,0,1,0,0|1,0,1]=4 704 B14R1.40 CCCCCCCCCC1OCCO1 Amb8383458 [0,1,0,1,0,0|0,0,2]=4 705 B14R1.40 CCCCCCCCNC1CCCC1 Amb7757201 [0,1,0,1,0,0|1,0,1]=4 706 B14R1.216 CCCCCCCCC1CCCC1=O Amb6337658 [0,1,0,1,0,0|0,0,0]=2 707 B14R1.216 CCCCCCCCN1CCCC1=O Amb8629204 [0,1,0,1,0,0|0,0,0]=2 708 B14R1.216 CCCCCCCOC1CCCC1Br Amb33348494 [0,1,0,1,0,0|1,0,1]=4 709 B14R1.216 CCCCCCCOC1CCCC1I Amb33348914 [0,1,0,1,0,0|1,0,1]=4 710 B14R1.230 CCCCCCCCC[C@@H]1O[C@H]1CO Amb24308872 [0,1,0,1,0,0|0,0,2]=4 711 B14R1.256 NCCC1CCCCCCCCCC1 Amb27229464 [0,1,0,1,0,0|1,0,1]=4 712 B14R1.275 CCCC1CCCCCCCC(=O)N1 Amb28408987 [0,1,0,1,0,0|0,0,0]=2 713 B14R1.342 O=C1CCCCCCCC(O)CCC1 Amb27593957 [0,1,0,1,0,0|0,0,0]=2 714 B14R1.597 CCCC(=O)N[C@H]1CCCCCC1=O Amb28341034 [0,1,0,1,0,0|1,0,1]=4 715 B14R1.622 CCOC(=O)C1CCCCCCC1=O Amb6357165 [0,1,0,1,0,0|1,0,1]=4 716 B14R1.838 [N-]=[N+]=C1CCCCCCCCCC1=O Amb17595121 [0,1,0,1,0,0|1,0,1]=4 717 B14R1.4408 O=C1C=CCCCCCCCCCC1 Amb25793577 [0,1,0,1,0,0|0,0,1]=3 718 B14R1.4408 O=C1C=CCCCCCCCCCN1 Amb24404897 [0,1,0,1,0,0|0,0,2]=4 719 B14R1.4408 O=C1CCCCC=CCCCCCN1 Amb27841100 [0,1,0,1,0,0|0,0,2]=4 720 B14R1.4408 O=C1CCCCCCCCC=CCN1 Amb27859494 [0,1,0,1,0,0|0,0,2]=4 721 B14R1.4408 O=C1CCCCCCCCCCCN1 Amb9825846 [0,1,0,1,0,0|0,0,0]=2 722 B14R1.4408 O=C1CCCCCCCCCCCO1 Amb9825923 [0,1,0,1,0,0|0,0,0]=2 723 B14R1.4408 O=C1CCCCCCCCNCCO1 Amb28187014 [0,1,0,1,0,0|1,0,0]=3 724 B14R1.4408 O=C1CCCCCCCNCCCO1 Amb27746900 [0,1,0,1,0,0|1,0,0]=3 725 B14R1.4408 O=C1NCCCCCCCCCCN1 Amb28130432 [0,1,0,1,0,0|1,0,0]=3 726 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [0,1,0,1,0,0|1,0,0]=3 727 B14R1.4408 OC1C=C=CCCCCCCCCC1 Amb27651605 [0,1,0,1,0,0|1,0,1]=4 728 B14R1.4408 OC1CCCCCCCCCCCC1 Amb27598545 [0,1,0,1,0,0|0,0,2]=4 729 B14R1.4408 SC1=NCCCCCCCCCCN1 Amb28074045 [0,1,0,1,0,0|1,1,0]=4 730 B14R1.7343 CC(CC1CCCCCCC1)NC=O Amb28398075 [0,1,0,1,0,0|1,0,0]=3 731 B14R1.96 CCC1CCCCN1CCCC(=O)Cl Amb17143700 [0,1,0,1,0,0|1,0,0]=3 732 B14R1.96 CCC1CCCCN1CCCC(=O)O Amb5775446 [0,1,0,1,0,0|1,0,0]=3 733 B14R1.96 CCC1CCCCN1CCCC(N)=O Amb17143194 [0,1,0,1,0,0|1,0,0]=3 734 B14R1.159 CC(C)CCNCC1CCCNC1=O Amb32756840 [0,1,0,1,0,0|2,0,0]=4 735 B14R1.269 CCCC1CCCCCC1NC(C)=O Amb2227902 [0,1,0,1,0,0|1,0,0]=3 736 B14R1.269 CCC[C@H]1CCCCC[C@@H]1NC(C)=O Amb27783350 [0,1,0,1,0,0|1,0,0]=3 737 B14R1.329 CC(C)=CCCC1CCCCCC1=O Amb30024649 [0,1,0,1,0,0|0,0,2]=4 738 B14R1.329 CC(C)CCCC1NCCCNC1=O Amb32719951 [0,1,0,1,0,0|2,0,0]=4 739 B14R1.329 CC(C)CNCC1CCCCNC1=O Amb32756834 [0,1,0,1,0,0|2,0,0]=4 740 B14R1.333 CC(O)CCN1CCCCCCC1=O Amb19089201 [0,1,0,1,0,0|1,0,0]=3 741 B14R1.333 O=C(O)CCC1CCCCCCC1=O Amb27751434 [0,1,0,1,0,0|1,0,1]=4 742 B14R1.422 CC(=O)NCCNCC1CCCCC1 Amb6732520 [0,1,0,1,0,0|2,0,0]=4 743 B14R1.422 O=C(O)CCCCCC1CCCCC1 Amb22230076 [0,1,0,1,0,0|0,0,0]=2 744 B14R1.422 O=C(O)CCCCCC1CCCCN1 Amb32430378 [0,1,0,1,0,0|1,0,0]=3 745 B14R1.422 O=C(O)CCCCCN1CCOCC1 Amb33079998 [0,1,0,1,0,0|2,0,0]=4 746 B14R1.422 O=C(O)CCCCOC1CCCCC1 Amb9207782 [0,1,0,1,0,0|1,0,0]=3 747 B14R1.422 O=C(O)CCCNCC1CCCCC1 Amb6274295 [0,1,0,1,0,0|1,0,0]=3 748 B14R1.422 O=C(O)CCCSCC1CCCNC1 Amb17503127 [0,1,0,1,0,0|2,0,0]=4 749 B14R1.422 O=C(O)CCCSCC1CCNCC1 Amb17503028 [0,1,0,1,0,0|2,0,0]=4 750 B14R1.422 O=C(O)CCNCCN1CCCCC1 Amb9326457 [0,1,0,1,0,0|2,0,0]=4 751 B14R1.422 O=C(O)CCSCCN1CCCCC1 Amb6745725 [0,1,0,1,0,0|2,0,0]=4 752 B14R1.422 O=C(O)CNCCCN1CCCCC1 Amb20152206 [0,1,0,1,0,0|2,0,0]=4 753 B14R1.427 O=C(O)CCNCCCN1CCCC1 Amb19090342 [0,1,0,1,0,0|2,0,0]=4 754 B14R1.482 O=C(O)CCN1CCCCC1CCO Amb6637635 [0,1,0,1,0,0|2,0,0]=4 755 B14R1.3447 NCCCCCCN1CCC1C(N)=O Amb33251009 [0,1,0,1,0,0|2,0,0]=4 756 B14R1.4728 CCCCCCCCC1CC1C(=O)O Amb1033024 [0,1,0,1,0,0|0,0,0]=2 757 B14R1.4808 C=C1CCCCCCCCC1C(=O)O Amb27592138 [0,1,0,1,0,0|0,0,2]=4 758 B14R1.4961 CC(=O)CN1CCCCCCCC1=O Amb30014092 [0,1,0,1,0,0|1,0,1]=4 759 B14R1.4961 CC(N)CN1CCCCCCCC1=O Amb35704265 [0,1,0,1,0,0|1,0,0]=3 760 B14R1.4961 CC(O)CN1CCCCCCCC1=O Amb35704080 [0,1,0,1,0,0|1,0,0]=3 761 B14R1.4961 C[C@@H](N)CN1CCCCCCCC1=O Amb35704257 [0,1,0,1,0,0|1,0,0]=3 762 B14R1.4961 C[C@@H](O)CN1CCCCCCCC1=O Amb35704081 [0,1,0,1,0,0|1,0,0]=3 763 B14R1.4961 C[C@H](N)CN1CCCCCCCC1=O Amb35704266 [0,1,0,1,0,0|1,0,0]=3 764 B14R1.4961 C[C@H](O)CN1CCCCCCCC1=O Amb35704082 [0,1,0,1,0,0|1,0,0]=3 765 B14R1.5254 CCNC1CCCCCCC1S(C)=O Amb28398389 [0,1,0,1,0,0|2,0,0]=4 766 B14R1.5254 CN(C)[C@@H]1CCCCCC[C@H]1NC=O Amb27440049 [0,1,0,1,0,0|2,0,0]=4 767 B14R1.6335 NC(=O)NNC1CCCCCCCC1 Amb27386827 [0,1,0,1,0,0|2,0,0]=4 768 B14R1.6343 O=C(O)CCCCN1CCCNCC1 Amb17479032 [0,1,0,1,0,0|2,0,0]=4 769 B14R1.6343 O=C(O)CNCCN1CCCCCC1 Amb20573254 [0,1,0,1,0,0|2,0,0]=4 770 B14R1.6388 O=C(O)CCCCCCCCC1CC1 Amb32645995 [0,1,0,1,0,0|0,0,0]=2 771 B14R1.6414 NC(=O)C1CCCCCCCCCC1 Amb27984828 [0,1,0,1,0,0|0,0,0]=2 772 B14R1.6414 O=C(O)C1C=CCCCCCCCC1 Amb27231809 [0,1,0,1,0,0|0,0,2]=4 773 B14R1.6414 O=C(O)C1CCCCCCCCCC1 Amb4034592 [0,1,0,1,0,0|0,0,0]=2 774 B14R1.6414 O=C(O)C1CCCCCCCCCN1 Amb27983623 [0,1,0,1,0,0|1,0,0]=3 775 B14R1.6444 O=C(O)C=C1CCCCCCCCC1 Amb28118972 [0,1,0,1,0,0|0,0,2]=4 776 B14R1.123 CCCCCCCCC1CCCCC1 Amb22733702 [0,1,0,1,0,0|1,0,1]=4 777 B14R1.123 CCCCCCCCC1CCCCN1 Amb3788658 [0,1,0,1,0,0|1,0,1]=4 778 B14R1.123 CCCCCCCCC1CCCNC1 Amb22642854 [0,1,0,1,0,0|1,0,1]=4 779 B14R1.123 CCCCCCCCC1CCCNC1 Amb35745609 [0,1,0,1,0,0|1,0,1]=4 780 B14R1.123 CCCCCCCCC1CCNCC1 Amb35745610 [0,1,0,1,0,0|1,0,1]=4 781 B14R1.123 CCCCCCCCC1CCNCC1 Amb3933583 [0,1,0,1,0,0|1,0,1]=4 782 B14R1.123 CCCCCCCCN1CCCCC1 Amb9787488 [0,1,0,1,0,0|1,0,1]=4 783 B14R1.123 CCCCCCCNC1CCCCC1 Amb7757187 [0,1,0,1,0,0|1,0,1]=4 784 B14R1.123 CNCCCCCCN1CCCCC1 Amb2680838 [0,1,0,1,0,0|2,0,0]=4 785 B14R1.123 COCCCCCNC1CCCCC1 Amb33133267 [0,1,0,1,0,0|2,0,0]=4 786 B14R1.123 NCCCNCCCC1CCCCC1 Amb18105041 [0,1,0,1,0,0|1,0,1]=4 787 B14R1.123 OCCCCCNCC1CCCCC1 Amb876062 [0,1,0,1,0,0|0,0,2]=4 788 B14R1.123 OCCCCNCCC1C=CCCC1 Amb2189173 [0,1,0,1,0,0|2,0,0]=4 789 B14R1.882 CC1CCCCN1CCCCCCN Amb5357901 [0,1,0,1,0,0|1,0,1]=4 790 B14R1.882 CCCCCCCC1CCCCC1O Amb534143 [0,1,0,1,0,0|0,0,2]=4 791 B14R1.882 CCCCCCOC1CCCCC1Br Amb33349382 [0,1,0,1,0,0|1,0,1]=4 792 B14R1.882 CCCCCCOC1CCCCC1I Amb33349617 [0,1,0,1,0,0|1,0,1]=4 793 B14R1.882 CCCCCC\C=C1/CCCCC1=O Amb22823239 [0,1,0,1,0,0|0,0,1]=3 794 B14R1.882 COCCCCNC1CCCCC1C Amb19089788 [0,1,0,1,0,0|2,0,0]=4 795 B14R1.938 COCCC(=O)C1CCCCCC1=O Amb19066980 [0,1,0,1,0,0|1,0,1]=4 796 B14R1.1406 C#CCCC1(O)CCCCCC1CC Amb35721151 [0,1,0,1,0,0|1,0,1]=4 797 B14R1.2470 C#CCCC(N)C1CCCCCCC1 Amb27170497 [0,1,0,1,0,0|1,0,1]=4 798 B14R1.2470 C#CCCC(O)C1CCCCCCC1 Amb27667705 [0,1,0,1,0,0|1,0,1]=4 799 B14R1.4889 O=C1CCCCCCCCC(O)CC1 Amb27824496 [0,1,0,1,0,0|0,0,0]=2 800 B14R1.4889 OC1C=CC(O)CCCCCCCC1 Amb27833640 [0,1,0,1,0,0|2,0,0]=4 801 B14R1.4960 NC1CCCCCCC(O)CCCC1 Amb27747214 [0,1,0,1,0,0|0,0,2]=4 802 B14R1.4960 O=C1CCCCCCC(O)CCCC1 Amb27191430 [0,1,0,1,0,0|0,0,0]=2 803 B14R1.5095 O=CCC1CCCCC(=O)CCCC1 Amb28409047 [0,1,0,1,0,0|0,0,1]=3 804 B14R1.247 CC1CCCCCCCCCCC1=O Amb540121 [0,1,0,1,0,0|0,0,0]=2 805 B14R1.247 CC1CCCCCCCCCCC1O Amb27164153 [0,1,0,1,0,0|0,0,2]=4 806 B14R1.247 O=C1CCC=CCCCCCCC1O Amb27764936 [0,1,0,1,0,0|0,0,2]=4 807 B14R1.247 O=C1CCCCCCC=CCCC1O Amb27448850 [0,1,0,1,0,0|0,0,2]=4 808 B14R1.247 O=C1CCCCCCCCCCC1=O Amb4136412 [0,1,0,1,0,0|0,0,1]=3 809 B14R1.247 O=C1CCCCCCCCCCC1Br Amb4017597 [0,1,0,1,0,0|0,0,0]=2 810 B14R1.247 O=C1CCCCCCCCCCC1O Amb4017908 [0,1,0,1,0,0|0,0,0]=2 811 B14R1.247 OC1CCCCCCCCCCC1Cl Amb4010586 [0,1,0,1,0,0|0,0,2]=4 812 B14R1.247 OC1CCCCCCCCCCC1O Amb22729167 [0,1,0,1,0,0|0,0,2]=4 813 B14R1.247 O[C@H]1CCCCCCCCCC[C@@H]1O Amb27456640 [0,1,0,1,0,0|0,0,2]=4 814 B14R1.247 O[C@H]1CCCCCCCCCC[C@H]1O Amb3989265 [0,1,0,1,0,0|0,0,2]=4 815 B14R1.709 COC(=O)CCC1CCCCCC1=O Amb17595252 [0,1,0,1,0,0|1,0,1]=4 816 B14R1.837 CCC(C)CNCC1CCCNC1=O Amb32756842 [0,1,0,1,0,0|2,0,0]=4 817 B14R1.845 CNC1CCCCCCCCCCC1 Amb1119036 [0,1,0,1,0,0|1,0,1]=4 818 B14R1.845 COC1CCCCCCCCCCC1 Amb8514867 [0,1,0,1,0,0|0,0,2]=4 819 B14R1.845 NCC1CCCCCCCCCCC1 Amb8950178 [0,1,0,1,0,0|1,0,1]=4 820 B14R1.845 NNC1CCCCCCCCCCC1 Amb6662858 [0,1,0,1,0,0|1,0,1]=4 821 B14R1.845 O=CC1CCCCCCCCCCC1 Amb26021430 [0,1,0,1,0,0|0,0,0]=2 822 B14R1.845 OCC1CCCCCCCCCCC1 Amb4016249 [0,1,0,1,0,0|0,0,2]=4 823 B14R1.845 [C-]#[N+]C1CCCCCCCCCCC1 Amb2686623 [0,1,0,1,0,0|1,0,1]=4 824 B14R1.891 CCCCCCCCCOC1CNC1 Amb32941321 [0,1,0,1,0,0|2,0,0]=4 825 B14R1.2877 CC(CBr)CN1CCCCCCC1=O Amb27640176 [0,1,0,1,0,0|2,0,0]=4 826 B14R1.2877 CC(CCl)CN1CCCCCCC1=O Amb27238169 [0,1,0,1,0,0|2,0,0]=4 827 B14R1.2877 CCC(=O)CN1CCCCCCC1=O Amb19082632 [0,1,0,1,0,0|1,0,1]=4 828 B14R1.2877 CCC(N)CN1CCCCCCC1=O Amb18984890 [0,1,0,1,0,0|1,0,0]=3 829 B14R1.2877 CNC(C)CN1CCCCCCC1=O Amb18982420 [0,1,0,1,0,0|2,0,0]=4 830 B14R1.2877 O=C1CCCCCCN1CC(O)CCl Amb28202550 [0,1,0,1,0,0|2,0,0]=4 831 B14R1.9689 NC1(CO)CCCCCCCCCC1 Amb27773611 [0,1,0,1,0,0|0,0,2]=4 832 B14R1.38 CCCCCCC(O)C1C=CCCC1 Amb2389026 [0,1,0,1,0,0|1,0,0]=3 833 B14R1.87 CCCCOC1CCCCCCC1Br Amb33357457 [0,1,0,1,0,0|1,0,1]=4 834 B14R1.87 CCCCOC1CCCCCCC1I Amb33349646 [0,1,0,1,0,0|1,0,1]=4 835 B14R1.1254 C#CCCCNC1CCCCCCC1 Amb33033439 [0,1,0,1,0,0|1,0,1]=4 836 B14R1.1254 COCCCNC1CCCCCCC1 Amb6730168 [0,1,0,1,0,0|2,0,0]=4 837 B14R1.1254 CSCCCNC1CCCCCCC1 Amb6720518 [0,1,0,1,0,0|2,0,0]=4 838 B14R1.3360 CCCCC#CC(O)C1CCCC1=O Amb27969815 [0,1,0,1,0,0|0,0,2]=4 839 B14R1.138 CCCCCCN1CCCCCC1=O Amb17844183 [0,1,0,1,0,0|0,0,0]=2 840 B14R1.138 CCCCCOC1CCCCCC1Br Amb33347770 [0,1,0,1,0,0|1,0,1]=4 841 B14R1.138 CCCCCOC1CCCCCC1I Amb32716207 [0,1,0,1,0,0|1,0,1]=4 842 B14R1.217 CCCCCCCCN1CCC1CN Amb33252158 [0,1,0,1,0,0|1,0,1]=4 843 B14R1.476 CCC1CCCCN1CCCCCN Amb5357884 [0,1,0,1,0,0|1,0,1]=4 844 B14R1.784 C#CCCN1CCCCCCCC1=O Amb35644113 [0,1,0,1,0,0|0,0,2]=4 845 B14R1.784 CNCCN1CCCCCCCC1=O Amb35704083 [0,1,0,1,0,0|1,0,0]=3 846 B14R1.784 N#CCCN1CCCCCCCC1=O Amb35704233 [0,1,0,1,0,0|1,0,1]=4 847 B14R1.784 NCCCN1CCCCCCCC1=O Amb28385731 [0,1,0,1,0,0|1,0,0]=3 848 B14R1.784 O=C1CCCCCCCN1CCCBr Amb30013845 [0,1,0,1,0,0|1,0,0]=3 849 B14R1.784 O=C1CCCCCCCN1CCCCl Amb30013844 [0,1,0,1,0,0|1,0,0]=3 850 B14R1.784 O=C1CCCCCCCN1CCCS Amb30014001 [0,1,0,1,0,0|1,0,0]=3 851 B14R1.784 O=CCCN1CCCCCCCC1=O Amb35704210 [0,1,0,1,0,0|1,0,1]=4 852 B14R1.2352 CCCCCCNC1CCCCCC1 Amb6642130 [0,1,0,1,0,0|1,0,1]=4 853 B14R1.2352 COCCCCNC1CCCCCC1 Amb19089787 [0,1,0,1,0,0|2,0,0]=4 854 B14R1.2352 NCCCCCCN1CCCCCC1 Amb5357908 [0,1,0,1,0,0|1,0,1]=4 855 B14R1.2874 C1CCCCCCCCCCCCC1 Amb22230503 [0,1,0,1,0,0|1,0,1]=4 856 B14R1.2874 C1CCCNCCCCCCNCC1 Amb17595271 [0,1,0,1,0,0|1,0,1]=4 857 B14R1.158 C=CCCNC(C)CC1CCCCC1 Amb33068352 [0,1,0,1,0,0|2,0,0]=4 858 B14R1.169 CCCCCCCC(O)C1CCCC1 Amb533025 [0,1,0,1,0,0|1,0,1]=4 859 B14R1.1035 CCCCCC(=O)C1CCCCC1=O Amb8504001 [0,1,0,1,0,0|0,0,1]=3 860 B14R1.1035 CCCCCC(=O)C1COCCC1=O Amb33355381 [0,1,0,1,0,0|1,0,1]=4 861 B14R1.1035 CCOCCC(=O)C1CCCCC1=O Amb19066981 [0,1,0,1,0,0|1,0,1]=4 862 B14R1.2434 C#CCCCC1(O)CCCCCC1C Amb35721279 [0,1,0,1,0,0|1,0,1]=4 863 B14R1.2435 C#CCCCC1(N)CCCCCCC1 Amb35657749 [0,1,0,1,0,0|1,0,1]=4 864 B14R2.3 OCCCC1CCC2CCCC=C12 Amb27486517 [0,0,0,2,0,0|2,0,0]=4 865 B14R2.6 C1CCC(CC2CCCCC2)CC1 Amb25878169 [0,0,0,2,0,0|1,0,1]=4 866 B14R2.6 C1CCC(CC2CCCCN2)CC1 Amb2235009 [0,0,0,2,0,0|1,0,1]=4 867 B14R2.6 C1CCC(CC2CCCNC2)CC1 Amb18187050 [0,0,0,2,0,0|2,0,0]=4 868 B14R2.6 C1CCC(CC2CCCNC2)CC1 Amb35745593 [0,0,0,2,0,0|2,0,0]=4 869 B14R2.14 NCC1CCCC1C2CCCCC2 Amb27590164 [0,0,0,2,0,0|1,0,1]=4 870 B14R2.14 O=CN1CCCC1C2CCCCC2 Amb27458158 [0,0,0,2,0,0|1,0,0]=3 871 B14R2.24 CC1CCCCC1C2CCCNC2 Amb28239826 [0,0,0,2,0,0|2,0,0]=4 872 B14R2.24 Cl[C@H]1CCCC[C@H]1C2CCCCC2 Amb27857522 [0,0,0,2,0,0|1,0,1]=4 873 B14R2.24 N=C1CCCCN1C2CCCCC2 Amb18181246 [0,0,0,2,0,0|2,0,0]=4 874 B14R2.24 NC1CCCCC1C2CCCCC2 Amb2721316 [0,0,0,2,0,0|1,0,1]=4 875 B14R2.24 N[C@@H]1CCCC[C@@H]1C2CCCCC2 Amb27493382 [0,0,0,2,0,0|1,0,1]=4 876 B14R2.24 N[C@@H]1CCCC[C@H]1C2CCCCC2 Amb27985865 [0,0,0,2,0,0|1,0,1]=4 877 B14R2.24 N[C@H]1CCCC[C@@H]1C2CCCCC2 Amb28252940 [0,0,0,2,0,0|1,0,1]=4 878 B14R2.24 O=C1CCCC=C1C2CCCCC2 Amb27409630 [0,0,0,2,0,0|0,0,2]=4 879 B14R2.24 O=C1CCCCC1=C2CCCCC2 Amb28243545 [0,0,0,2,0,0|0,0,2]=4 880 B14R2.24 O=C1CCCCC1C2=CCCCC2 Amb2720740 [0,0,0,2,0,0|0,0,2]=4 881 B14R2.24 O=C1CCCCC1C2CCCCC2 Amb2720794 [0,0,0,2,0,0|0,0,0]=2 882 B14R2.24 O=C1CCCCC1C2CCCCN2 Amb27439523 [0,0,0,2,0,0|1,0,0]=3 883 B14R2.24 O=C1CCCCC1C2CCCCO2 Amb32419139 [0,0,0,2,0,0|1,0,0]=3 884 B14R2.24 O=C1CCCCC1C2CCCOC2 Amb27410298 [0,0,0,2,0,0|1,0,0]=3 885 B14R2.24 O=C1CCCCC1C2COCCN2 Amb23585302 [0,0,0,2,0,0|2,0,0]=4 886 B14R2.24 O=C1CCCCC1C2COCCN2 Amb28556112 [0,0,0,2,0,0|2,0,0]=4 887 B14R2.24 O=C1CCCCC1C2SCCCS2 Amb17595906 [0,0,0,2,0,0|2,0,0]=4 888 B14R2.24 O=C1CCCCC1N2CCCCC2 Amb20623987 [0,0,0,2,0,0|1,0,0]=3 889 B14R2.24 O=C1CCCCC1N2CCOCC2 Amb9783343 [0,0,0,2,0,0|2,0,0]=4 890 B14R2.24 O=C1CCCCC1N2CCSCC2 Amb19089615 [0,0,0,2,0,0|2,0,0]=4 891 B14R2.24 O=C1CCCCN1C2CCCNC2 Amb32671417 [0,0,0,2,0,0|2,0,0]=4 892 B14R2.24 O=C1CCCCN1C2CCCNC2 Amb9722735 [0,0,0,2,0,0|2,0,0]=4 893 B14R2.24 O=C1CCCCN1C2CCNCC2 Amb10603290 [0,0,0,2,0,0|2,0,0]=4 894 B14R2.24 O=C1CCCCN1C2CCNCC2 Amb33552240 [0,0,0,2,0,0|2,0,0]=4 895 B14R2.24 O=C1CCNCC1C2CCCCC2 Amb18192855 [0,0,0,2,0,0|1,0,0]=3 896 B14R2.24 O=C1CCNCC1C2CCCOC2 Amb27162032 [0,0,0,2,0,0|2,0,0]=4 897 B14R2.24 O=C1CCNCC1C2CCOCC2 Amb18191941 [0,0,0,2,0,0|2,0,0]=4 898 B14R2.24 O=C1CCNCC1C2CCSCC2 Amb18187596 [0,0,0,2,0,0|2,0,0]=4 899 B14R2.24 O=C1CCOCC1C2CCCCC2 Amb28242525 [0,0,0,2,0,0|1,0,0]=3 900 B14R2.24 O=C1CCOCC1C2CCCCN2 Amb26605159 [0,0,0,2,0,0|2,0,0]=4 901 B14R2.24 O=C1CCOCC1C2CCOCC2 Amb27854004 [0,0,0,2,0,0|2,0,0]=4 902 B14R2.24 O=C1CNCCN1C2CCCCC2 Amb22586759 [0,0,0,2,0,0|2,0,0]=4 903 B14R2.24 O=C1CNCCN1C2CCCCC2 Amb22587625 [0,0,0,2,0,0|2,0,0]=4 904 B14R2.24 O=C1CNCCN1C2CCCCC2 Amb2721936 [0,0,0,2,0,0|2,0,0]=4 905 B14R2.24 O=C1CNCCN1C2CCCCC2 Amb33330368 [0,0,0,2,0,0|2,0,0]=4 906 B14R2.24 O=C1NCCCC1C2CCCCC2 Amb26375314 [0,0,0,2,0,0|1,0,0]=3 907 B14R2.24 O=C1NCCCC1C2CCCNC2 Amb33495930 [0,0,0,2,0,0|2,0,0]=4 908 B14R2.24 O=C1NCCCC1C2CCNCC2 Amb24711238 [0,0,0,2,0,0|2,0,0]=4 909 B14R2.24 O=C1NCCCC1C2CCOCC2 Amb27223362 [0,0,0,2,0,0|2,0,0]=4 910 B14R2.24 O=C1NCCCC1N2CCCCC2 Amb20367891 [0,0,0,2,0,0|2,0,0]=4 911 B14R2.24 O=C1NCCCN1C2CCCCC2 Amb27397894 [0,0,0,2,0,0|2,0,0]=4 912 B14R2.24 OC1CCCCC1C2CCCCC2 Amb4011942 [0,0,0,2,0,0|0,0,2]=4 913 B14R2.24 O[C@@H]1CCCC[C@H]1C2CCCCC2 Amb26006934 [0,0,0,2,0,0|0,0,2]=4 914 B14R2.24 SC1CCCCC1C2CCCCC2 Amb32788412 [0,0,0,2,0,0|0,1,1]=4 915 B14R2.30 BrC1CCCC1CC2CCCCC2 Amb28127676 [0,0,0,2,0,0|1,0,1]=4 916 B14R2.30 CC1CCCC1NC2C=CCCC2 Amb27414078 [0,0,0,2,0,0|2,0,0]=4 917 B14R2.30 NC1CCCC1CC2CCCCC2 Amb18179233 [0,0,0,2,0,0|1,0,1]=4 918 B14R2.30 O=C1CCCC1CC2CC=CCC2 Amb30012213 [0,0,0,2,0,0|0,0,2]=4 919 B14R2.30 O=C1CCCC1CC2CCCCC2 Amb18178934 [0,0,0,2,0,0|0,0,0]=2 920 B14R2.30 O=C1CCCC1CC2CCCCO2 Amb27663920 [0,0,0,2,0,0|1,0,0]=3 921 B14R2.30 O=C1CCCC1CC2CCOCC2 Amb27663891 [0,0,0,2,0,0|1,0,0]=3 922 B14R2.30 O=C1CCCN1CC2CCCCN2 Amb19427813 [0,0,0,2,0,0|2,0,0]=4 923 B14R2.30 O=C1CCCN1CC2CCCCN2 Amb32671464 [0,0,0,2,0,0|2,0,0]=4 924 B14R2.30 O=C1CCCN1CC2CCCCN2 Amb838716 [0,0,0,2,0,0|2,0,0]=4 925 B14R2.30 O=C1CCCN1CC2CCCNC2 Amb1102375 [0,0,0,2,0,0|2,0,0]=4 926 B14R2.30 O=C1CCCN1CC2CCCNC2 Amb31195002 [0,0,0,2,0,0|2,0,0]=4 927 B14R2.30 O=C1CCCN1CC2CCNCC2 Amb19149221 [0,0,0,2,0,0|2,0,0]=4 928 B14R2.30 O=C1CCCN1CC2CCNCC2 Amb838715 [0,0,0,2,0,0|2,0,0]=4 929 B14R2.30 O=C1COCC1CC2CCCCC2 Amb35639162 [0,0,0,2,0,0|1,0,0]=3 930 B14R2.30 O=C1COCC1CC2CCOCC2 Amb35639168 [0,0,0,2,0,0|2,0,0]=4 931 B14R2.30 O=C1CSCC1CC2CCCCC2 Amb27264276 [0,0,0,2,0,0|1,0,0]=3 932 B14R2.30 O=C1NCCC1NC2CCCCC2 Amb27649802 [0,0,0,2,0,0|2,0,0]=4 933 B14R2.30 O=C1NCCC1SC2CCCCC2 Amb28183135 [0,0,0,2,0,0|2,0,0]=4 934 B14R2.30 O=C1NCCN1CC2CCCCC2 Amb27758022 [0,0,0,2,0,0|2,0,0]=4 935 B14R2.30 O=C1OCCC1SC2CCCCC2 Amb27765751 [0,0,0,2,0,0|2,0,0]=4 936 B14R2.30 OC1CCCC1CC2CCCCC2 Amb19074201 [0,0,0,2,0,0|0,0,2]=4 937 B14R2.30 O[C@@H]1CCC[C@H]1CC2CCCCC2 Amb32944559 [0,0,0,2,0,0|0,0,2]=4 938 B14R2.30 O[C@H]1CCC[C@@H]1CC2CCCCC2 Amb27775832 [0,0,0,2,0,0|0,0,2]=4 939 B14R2.31 O=C1CCC1CCN2CCCCC2 Amb32697991 [0,0,0,2,0,0|1,0,0]=3 940 B14R2.31 O=C1CCC1CCN2CCNCC2 Amb32697982 [0,0,0,2,0,0|2,0,0]=4 941 B14R2.31 O=C1CCC1CCN2CCOCC2 Amb32697970 [0,0,0,2,0,0|2,0,0]=4 942 B14R2.31 OC1CCC1CCC2CCCCC2 Amb32945472 [0,0,0,2,0,0|0,0,2]=4 943 B14R2.35 CNCC1CCC1C2CCCCC2 Amb27873720 [0,0,0,2,0,0|2,0,0]=4 944 B14R2.58 CNCC1CCCC12CCCCC2 Amb27246110 [0,0,0,2,0,0|2,0,0]=4 945 B14R2.58 NCCC1CCCC12CCCCC2 Amb27984067 [0,0,0,2,0,0|1,0,1]=4 946 B14R2.61 C=CCNC1CCC12CCCCC2 Amb27787399 [0,0,0,2,0,0|2,0,0]=4 947 B14R2.78 CCC1CCC1NC2C=CCCC2 Amb27211428 [0,0,0,2,0,0|2,0,0]=4 948 B14R2.101 C1=CC(NCC2CCCC2)CCC1 Amb27961348 [0,0,0,2,0,0|2,0,0]=4 949 B14R2.101 C1=CC(NCC2CCCCC2)CC1 Amb35735988 [0,0,0,2,0,0|2,0,0]=4 950 B14R2.101 C1=CCC(CCC2CCCCC2)C1 Amb35594344 [0,0,0,2,0,0|1,0,1]=4 951 B14R2.101 C1CCC(CCC2CCCC2)NC1 Amb2592676 [0,0,0,2,0,0|1,0,1]=4 952 B14R2.101 C1CCC(CCC2CCCN2)CC1 Amb3788336 [0,0,0,2,0,0|1,0,1]=4 953 B14R2.101 C1CCC(CCC2CCCNC2)C1 Amb26851245 [0,0,0,2,0,0|2,0,0]=4 954 B14R2.101 C1CCC(CCC2CCNC2)CC1 Amb21959204 [0,0,0,2,0,0|2,0,0]=4 955 B14R2.101 C1CCC(CC[C@@H]2CCCN2)CC1 Amb27608671 [0,0,0,2,0,0|1,0,1]=4 956 B14R2.381 CC1CCCCCC12CCCNC2 Amb35671817 [0,0,0,2,0,0|2,0,0]=4 957 B14R2.381 O=C1CCCCCC12CC=CCC2 Amb17594560 [0,0,0,2,0,0|0,0,2]=4 958 B14R2.381 O=C1CCCCCC12CCCCC2 Amb6359440 [0,0,0,2,0,0|0,0,0]=2 959 B14R2.381 O=C1NCCCCC12CCCCC2 Amb26581249 [0,0,0,2,0,0|1,0,0]=3 960 B14R2.381 O=C1NCCCCC12CCCOC2 Amb32862920 [0,0,0,2,0,0|2,0,0]=4 961 B14R2.381 O=C1NCCCCC12CCOCC2 Amb24375084 [0,0,0,2,0,0|2,0,0]=4 962 B14R2.381 O=C1NCCCNC12CCCCC2 Amb24420426 [0,0,0,2,0,0|2,0,0]=4 963 B14R2.381 OC1CCCCCC12CCCCC2 Amb27862461 [0,0,0,2,0,0|0,0,2]=4 964 B14R2.1252 C1CCCC2CCCC(CCC1)N2 Amb27758703 [0,0,0,2,0,0|1,0,1]=4 965 B14R2.1253 C1CCC(C2CCCCCN2)CC1 Amb19374417 [0,0,0,2,0,0|1,0,1]=4 966 B14R2.1253 C1CCC(C2CCCCCN2)CC1 Amb2235819 [0,0,0,2,0,0|1,0,1]=4 967 B14R2.1253 C1CCC(C2CCCCNC2)CC1 Amb27259417 [0,0,0,2,0,0|2,0,0]=4 968 B14R2.1253 C1CCCC(C2CCCCN2)CC1 Amb27241709 [0,0,0,2,0,0|1,0,1]=4 969 B14R2.1253 C1CCCC(C2CCCNC2)CC1 Amb24698386 [0,0,0,2,0,0|2,0,0]=4 970 B14R2.7150 CCCC1CCCC2CCCCC12 Amb26520936 [0,0,0,2,0,0|1,0,1]=4 971 B14R2.7150 O=C\C=C1\CCC[C@H]2CCCC[C@H]12 Amb27614163 [0,0,0,2,0,0|0,0,2]=4 972 B14R2.24101 O=C1CCC=CCC2CCCCC12 Amb27212031 [0,0,0,2,0,0|0,0,2]=4 973 B14R2.24101 O=C1CCCCCC2CCCC=C12 Amb27247960 [0,0,0,2,0,0|0,0,2]=4 974 B14R2.24101 O=C1CCCCC[C@@H]2C=CCC[C@H]12 Amb27789848 [0,0,0,2,0,0|0,0,2]=4 975 B14R2.24101 O=C1NCCCCC2CCCCC12 Amb28041373 [0,0,0,2,0,0|1,0,0]=3 976 B14R2.24101 OC1CCCCCC2CCCCC12 Amb27605414 [0,0,0,2,0,0|0,0,2]=4 977 B14R2.45644 C1CCCC2(CCC1)CCCCN2 Amb27265765 [0,0,0,2,0,0|1,0,1]=4 978 B14R2.48 BrC1CCCCCC1C2CCCC2 Amb27214063 [0,0,0,2,0,0|1,0,1]=4 979 B14R2.48 CC1CCCCCC1C2CCNC2 Amb35681111 [0,0,0,2,0,0|2,0,0]=4 980 B14R2.48 ClC1CCCCCC1C2CCCC2 Amb27794315 [0,0,0,2,0,0|1,0,1]=4 981 B14R2.48 NC1CCCCCC1C2CCCC2 Amb18805453 [0,0,0,2,0,0|1,0,1]=4 982 B14R2.48 O=C1CCCCCC1C2CCCC2 Amb18805161 [0,0,0,2,0,0|0,0,0]=2 983 B14R2.48 O=C1CCCCCC1C2CCCN2 Amb27416006 [0,0,0,2,0,0|1,0,0]=3 984 B14R2.48 O=C1CCCCCC1C2CCSC2 Amb35697092 [0,0,0,2,0,0|1,0,0]=3 985 B14R2.48 O=C1CCNCCN1C2CCCC2 Amb26049997 [0,0,0,2,0,0|2,0,0]=4 986 B14R2.48 O=C1CNCCCN1C2CCCC2 Amb25856320 [0,0,0,2,0,0|2,0,0]=4 987 B14R2.48 O=C1NCCCCC1C2CCOC2 Amb25820165 [0,0,0,2,0,0|2,0,0]=4 988 B14R2.48 O=C1NCCCCC1C2CCSC2 Amb35715722 [0,0,0,2,0,0|2,0,0]=4 989 B14R2.48 O=C1NCCCCC1N2CCCC2 Amb27810923 [0,0,0,2,0,0|2,0,0]=4 990 B14R2.48 OC1CCCCCC1C2CCCC2 Amb18324536 [0,0,0,2,0,0|0,0,2]=4 991 B14R2.48 O[C@@H]1CCCCC[C@H]1C2CCCC2 Amb32944653 [0,0,0,2,0,0|0,0,2]=4 992 B14R2.638 CC1CC1NC2CCCCNC2=O Amb19061195 [0,0,0,2,0,0|2,0,0]=4 993 B14R2.638 C[C@@H]1C[C@H]1NC2CCCCNC2=O Amb27460249 [0,0,0,2,0,0|2,0,0]=4 994 B14R2.2400 O=CC1CCC2NCCCCC2C1 Amb27816238 [0,0,0,2,0,0|1,0,0]=3 995 B14R2.5284 CC1CNCC12CCCCCC2=O Amb32649034 [0,0,0,2,0,0|1,0,0]=3 996 B14R2.5536 OC1CCCCCC1CCC2CC2 Amb26656958 [0,0,0,2,0,0|0,0,2]=4 997 B14R2.5536 O[C@@H]1CCCCC[C@H]1CCC2CC2 Amb33213440 [0,0,0,2,0,0|0,0,2]=4 998 B14R2.7208 CNCC1CC12CCCCCC2C Amb35733914 [0,0,0,2,0,0|2,0,0]=4 999 B14R2.8028 O=C1C=C2CCCCCC2CCC1 Amb27855021 [0,0,0,2,0,0|0,0,2]=4 1000 B14R2.8028 O=C1CCCC2CCNCCC2N1 Amb28208275 [0,0,0,2,0,0|2,0,0]=4 1001 B14R2.8028 O=C1CCC[C@@H]2CCCNC[C@H]2N1 Amb18192427 [0,0,0,2,0,0|2,0,0]=4 1002 B14R2.8028 O=C1CCC[C@@H]2CCNCC[C@H]2N1 Amb18192425 [0,0,0,2,0,0|2,0,0]=4 1003 B14R2.8028 O=C1CCC[C@@H]2CNCCC[C@H]2N1 Amb18192430 [0,0,0,2,0,0|2,0,0]=4 1004 B14R2.8028 O[C@H]1CCC[C@H]2CCCCC[C@@H]2C1 Amb27484830 [0,0,0,2,0,0|0,0,2]=4 1005 B14R2.8160 O=C1CCCCCC1CC2CCC2 Amb27495398 [0,0,0,2,0,0|0,0,0]=2 1006 B14R2.8160 O=C1NCCCCC1NC2CCC2 Amb18965355 [0,0,0,2,0,0|2,0,0]=4 1007 B14R2.8160 O=C1NCCCNC1CC2CCC2 Amb32719945 [0,0,0,2,0,0|2,0,0]=4 1008 B14R2.8160 OC1CCCCCC1CC2CCC2 Amb24361364 [0,0,0,2,0,0|0,0,2]=4 1009 B14R2.8160 O[C@@H]1CCCCC[C@H]1CC2CCC2 Amb32945338 [0,0,0,2,0,0|0,0,2]=4 1010 B14R2.8866 O=C1CCCCC2=C1CCCCC2 Amb28351640 [0,0,0,2,0,0|0,0,2]=4 1011 B14R2.8866 O=S1CCCNC2CCCCCC21 Amb28068829 [0,0,0,2,0,0|2,0,0]=4 1012 B14R2.9632 CCC\C=C\C1C(=O)C2CCCC12 Amb27954213 [0,0,0,2,0,0|0,0,2]=4 1013 B14R2.44 CCCC1=CC2CCCCC2C1=O Amb27587337 [0,0,0,2,0,0|0,0,2]=4 1014 B14R2.92 CCC1NCC2CCCCN2C1=O Amb26575978 [0,0,0,2,0,0|2,0,0]=4 1015 B14R2.92 NCC1CCC2CCCCN2C1=O Amb27231818 [0,0,0,2,0,0|2,0,0]=4 1016 B14R2.98 O=CC1CCCCC1N2CCCC2 Amb18192856 [0,0,0,2,0,0|1,0,0]=3 1017 B14R2.98 O=CC1CCCCN1C2CCCC2 Amb18185218 [0,0,0,2,0,0|1,0,0]=3 1018 B14R2.98 O=CC1CCCCN1C2CCSC2 Amb35688873 [0,0,0,2,0,0|2,0,0]=4 1019 B14R2.112 O=CCC1CCC2CCCCC2O1 Amb27780838 [0,0,0,2,0,0|1,0,0]=3 1020 B14R2.112 O=CCC1CC[C@H]2CCCC[C@@H]2C1 Amb27202544 [0,0,0,2,0,0|0,0,0]=2 1021 B14R2.112 O=CCN1CCC2CCCCC2C1 Amb18186899 [0,0,0,2,0,0|1,0,0]=3 1022 B14R2.112 O=CCN1CCN2CCCCC2C1 Amb27465057 [0,0,0,2,0,0|2,0,0]=4 1023 B14R2.112 O=CC[C@@H]1CC[C@H]2CCCC[C@@H]2O1 Amb28052342 [0,0,0,2,0,0|1,0,0]=3 1024 B14R2.112 O=CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 Amb28411316 [0,0,0,2,0,0|1,0,0]=3 1025 B14R2.112 O=COC1CCC2CCCCC2C1 Amb22729217 [0,0,0,2,0,0|1,0,0]=3 1026 B14R2.279 CC1CCNC2CCCCC2S1=O Amb28318215 [0,0,0,2,0,0|2,0,0]=4 1027 B14R2.279 CC1CNCC2CCCCN2C1=O Amb25222940 [0,0,0,2,0,0|2,0,0]=4 1028 B14R2.279 CN1C(=O)CCC[C@@H]2CCNC[C@H]21 Amb18192429 [0,0,0,2,0,0|2,0,0]=4 1029 B14R2.279 CN1C(=O)CCC[C@@H]2CNCC[C@H]21 Amb18192433 [0,0,0,2,0,0|2,0,0]=4 1030 B14R2.279 CN1C(=O)CCC[C@H]2CNCC[C@H]21 Amb30530890 [0,0,0,2,0,0|2,0,0]=4 1031 B14R2.279 CN1C(=O)CCC[C@H]2NCCC[C@H]21 Amb30530915 [0,0,0,2,0,0|2,0,0]=4 1032 B14R2.279 N[C@H]1CCC[C@H]2CCCCN2C1=O Amb28422692 [0,0,0,2,0,0|2,0,0]=4 1033 B14R2.280 O=C1CCC=C2CCCC[C@@H]2CC1 Amb27772301 [0,0,0,2,0,0|0,0,2]=4 1034 B14R2.1078 O=C1CCC[C@@H]2[C@@H](CO)CCCN12 Amb27775463 [0,0,0,2,0,0|2,0,0]=4 1035 B14R2.1914 C=CC1CCCCN1CC2CCC2 Amb27653954 [0,0,0,2,0,0|2,0,0]=4 1036 B14R2.1914 CCC1CCCCC1CC2CNC2 Amb27248755 [0,0,0,2,0,0|2,0,0]=4 1037 B14R2.1914 O=CC1CCCCN1CC2CCC2 Amb28128652 [0,0,0,2,0,0|1,0,0]=3 1038 B14R2.2957 N#CC12CCCCC1CCCC2=O Amb27772519 [0,0,0,2,0,0|1,0,1]=4 1039 B14R2.2957 O=CC12CCCCC1CCCC2=O Amb27861291 [0,0,0,2,0,0|1,0,1]=4 1040 B14R2.2957 O=C[C@]12CCCC[C@H]1CCCC2=O Amb28133389 [0,0,0,2,0,0|1,0,1]=4 1041 B14R2.2966 CCC1CCCCC1C2CC2C=O Amb32669280 [0,0,0,2,0,0|0,0,0]=2 1042 B14R2.2966 CCC1CCCCC1C2CC2CCl Amb27783653 [0,0,0,2,0,0|1,0,1]=4 1043 B14R2.11625 O=C[C@@H]1CCCC[C@@H]1\C=C\C2CC2 Amb27621103 [0,0,0,2,0,0|0,0,2]=4 1044 B14R2.14081 NCC12CCCCCC1CCCC2 Amb27438676 [0,0,0,2,0,0|1,0,1]=4 1045 B14R2.14081 OCC12CCCCCC1CCCC2 Amb27463579 [0,0,0,2,0,0|0,0,2]=4 1046 B14R2.50 BrC1CCCCC1CC2CCCC2 Amb28186825 [0,0,0,2,0,0|1,0,1]=4 1047 B14R2.50 CC1CCCCC1NC2C=CCC2 Amb30006887 [0,0,0,2,0,0|2,0,0]=4 1048 B14R2.50 ClC1CCCCC1CC2CCCC2 Amb27608244 [0,0,0,2,0,0|1,0,1]=4 1049 B14R2.50 NC1CCCCC1CC2CCCC2 Amb18179234 [0,0,0,2,0,0|1,0,1]=4 1050 B14R2.50 O=C1CCCCC1CC2=CCCC2 Amb27450211 [0,0,0,2,0,0|0,0,2]=4 1051 B14R2.50 O=C1CCCCC1CC2CC=CC2 Amb35630294 [0,0,0,2,0,0|0,0,2]=4 1052 B14R2.50 O=C1CCCCC1CC2CCOC2 Amb27763007 [0,0,0,2,0,0|1,0,0]=3 1053 B14R2.50 O=C1CCCCC1CN2CCCC2 Amb18185210 [0,0,0,2,0,0|1,0,0]=3 1054 B14R2.50 O=C1CCCCN1CN2CCCC2 Amb28047984 [0,0,0,2,0,0|2,0,0]=4 1055 B14R2.50 O=C1CCCCN1C[C@@H]2CCCN2 Amb27404069 [0,0,0,2,0,0|2,0,0]=4 1056 B14R2.50 O=C1CCCCN1C[C@H]2CCCN2 Amb27759077 [0,0,0,2,0,0|2,0,0]=4 1057 B14R2.50 O=C1CCCC\C1=C/C2CCCC2 Amb27857241 [0,0,0,2,0,0|0,0,2]=4 1058 B14R2.50 O=C1CCOCC1CC2CCOC2 Amb28206602 [0,0,0,2,0,0|2,0,0]=4 1059 B14R2.50 O=C1CCOCC1CN2CCCC2 Amb21987994 [0,0,0,2,0,0|2,0,0]=4 1060 B14R2.50 O=C1CNCCN1CC2CCCC2 Amb18960076 [0,0,0,2,0,0|2,0,0]=4 1061 B14R2.50 O=C1NCCCC1NC2CCCC2 Amb18958509 [0,0,0,2,0,0|2,0,0]=4 1062 B14R2.50 O=C1NCCNC1CC2CCCC2 Amb27428830 [0,0,0,2,0,0|2,0,0]=4 1063 B14R2.50 OC1CCCCC1CC2CCCC2 Amb19074200 [0,0,0,2,0,0|0,0,2]=4 1064 B14R2.50 O[C@@H]1CCCC[C@H]1CC2CCCC2 Amb32950873 [0,0,0,2,0,0|0,0,2]=4 1065 B14R2.57 O=CCC1CCCCC12OCCO2 Amb24370107 [0,0,0,2,0,0|2,0,0]=4 1066 B14R2.75 C=CCNC1CCCC12CCCC2 Amb27803563 [0,0,0,2,0,0|2,0,0]=4 1067 B14R2.75 O=CCCN1CCCC12CCCC2 Amb28047073 [0,0,0,2,0,0|1,0,0]=3 1068 B14R2.83 CCC1CCCC1NC2C=CCC2 Amb30006885 [0,0,0,2,0,0|2,0,0]=4 1069 B14R2.83 CNC1CCCC1CC2CCCC2 Amb18179235 [0,0,0,2,0,0|2,0,0]=4 1070 B14R2.83 NCC1CCCC1CC2CCCC2 Amb27771363 [0,0,0,2,0,0|1,0,1]=4 1071 B14R2.245 O=CN[C@H]1CCC[C@H]1C2CCCC2 Amb27789965 [0,0,0,2,0,0|1,0,0]=3 1072 B14R2.322 C1CCC(CCCC2CCCN2)C1 Amb33374911 [0,0,0,2,0,0|1,0,1]=4 1073 B14R2.322 C1CCC(CCCC2CCNC2)C1 Amb33374574 [0,0,0,2,0,0|2,0,0]=4 1074 B14R2.384 ClC1CCCC1CCC2CCCC2 Amb27766912 [0,0,0,2,0,0|1,0,1]=4 1075 B14R2.384 NC1CCCC1CCC2CCCC2 Amb27828389 [0,0,0,2,0,0|1,0,1]=4 1076 B14R2.384 O=C1CCCC1SCC2CCCC2 Amb28186779 [0,0,0,2,0,0|1,0,0]=3 1077 B14R2.384 O=C1COCC1CCC2CCCC2 Amb35639163 [0,0,0,2,0,0|1,0,0]=3 1078 B14R2.384 O=C1COCC1CCC2CCCO2 Amb35639167 [0,0,0,2,0,0|2,0,0]=4 1079 B14R2.384 O=C1CSCC1CCC2CCOC2 Amb27662687 [0,0,0,2,0,0|2,0,0]=4 1080 B14R2.384 O=C1NCCC1CCC2CCCC2 Amb27589064 [0,0,0,2,0,0|1,0,0]=3 1081 B14R2.384 O=C1NCCC1CCC2CCOC2 Amb27248779 [0,0,0,2,0,0|2,0,0]=4 1082 B14R2.384 O=C1NCCN1CCC2CCCC2 Amb27469526 [0,0,0,2,0,0|2,0,0]=4 1083 B14R2.384 O=C1OCCC1NCC2CCCC2 Amb28182702 [0,0,0,2,0,0|2,0,0]=4 1084 B14R2.384 OC1CCCC1CCC2CCCC2 Amb24533780 [0,0,0,2,0,0|0,0,2]=4 1085 B14R2.384 O[C@@H]1CCC[C@H]1CCC2CCCC2 Amb32950025 [0,0,0,2,0,0|0,0,2]=4 1086 B14R2.396 O=C1CCCCCCC12CCCC2 Amb6359439 [0,0,0,2,0,0|0,0,0]=2 1087 B14R2.892 C=CCCN1CCCC2CCCC21 Amb27854084 [0,0,0,2,0,0|2,0,0]=4 1088 B14R2.892 O=CCCN1CCCC2COCC21 Amb35592737 [0,0,0,2,0,0|2,0,0]=4 1089 B14R2.1083 CCC1CCCCCC12CCNC2 Amb35733871 [0,0,0,2,0,0|2,0,0]=4 1090 B14R2.2840 C1=CC(NC2CCCCCC2)CC1 Amb30006891 [0,0,0,2,0,0|2,0,0]=4 1091 B14R2.2840 C1=CCC(CC2CCCCCC2)C1 Amb35594346 [0,0,0,2,0,0|1,0,1]=4 1092 B14R2.2840 C1CCCC(CC2CCCN2)CC1 Amb24447478 [0,0,0,2,0,0|1,0,1]=4 1093 B14R2.2840 C1CCCC(CC2CCNC2)CC1 Amb28206467 [0,0,0,2,0,0|2,0,0]=4 1094 B14R2.5313 O=C1CCCCCCC2=C1CCC2 Amb28202079 [0,0,0,2,0,0|0,0,2]=4 1095 B14R2.9707 CCCCNCC1CC2C=CC1C2 Amb9223234 [0,0,0,2,0,0|2,0,0]=4 1096 B14R2.170 CCC1CCCC1N2CCNC2=O Amb28145253 [0,0,0,2,0,0|2,0,0]=4 1097 B14R2.170 CCN1CCCC1C2CCCC2=O Amb28203388 [0,0,0,2,0,0|1,0,0]=3 1098 B14R2.170 COC1CCCC1C2CCNC2=O Amb27864776 [0,0,0,2,0,0|2,0,0]=4 1099 B14R2.170 COC1CCCC1C2CSCC2=O Amb28242751 [0,0,0,2,0,0|2,0,0]=4 1100 B14R2.170 O=C1CCCC1N2CCC[C@@H]2CO Amb29855295 [0,0,0,2,0,0|2,0,0]=4 1101 B14R2.170 O=C1CCCC1N2CCC[C@H]2CO Amb35687997 [0,0,0,2,0,0|2,0,0]=4 1102 B14R2.170 O=C1CCCN1C2CCCC2CO Amb27602358 [0,0,0,2,0,0|2,0,0]=4 1103 B14R2.397 CN1C(=O)CCCC[C@@H]2NCC[C@H]21 Amb30527623 [0,0,0,2,0,0|2,0,0]=4 1104 B14R2.991 O=CCCN1CCC2COCC2C1 Amb30029294 [0,0,0,2,0,0|2,0,0]=4 1105 B14R2.3145 O=C1C[C@@H]2CCCC[C@]12CCCCl Amb27630496 [0,0,0,2,0,0|1,0,0]=3 1106 B14R2.5307 O=C1CCCCCCN1C[C@H]2CO2 Amb27971941 [0,0,0,2,0,0|2,0,0]=4 1107 B14R2.5619 O=C1CCC2CCCCCC1C2O Amb27415398 [0,0,0,2,0,0|1,0,0]=3 1108 B14R2.5619 O=C1CC[C@@H]2CCCCC[C@H]1C2O Amb27431313 [0,0,0,2,0,0|1,0,0]=3 1109 B14R2.5715 O=C1C=C2CCCCCCC2CC1 Amb27772509 [0,0,0,2,0,0|0,0,2]=4 1110 B14R2.10406 CCCCC1C(=O)NCC2CCN21 Amb32640055 [0,0,0,2,0,0|2,0,0]=4 1111 B14R2.11105 C=CC1CC12CCCCCCC2=O Amb28351685 [0,0,0,2,0,0|0,0,2]=4 1112 B14R2.11381 C=C[C@@H]1C[C@H]2CCCCC[C@H]1C2=O Amb27434225 [0,0,0,2,0,0|0,0,2]=4 1113 B14R2.1158 CCC1CC1CN2CCCNC2=O Amb27615240 [0,0,0,2,0,0|2,0,0]=4 1114 B14R2.1158 CCC1CC1CN2CCNCC2=O Amb27266234 [0,0,0,2,0,0|2,0,0]=4 1115 B14R2.1158 CC[C@@H]1C[C@H]1CN2CCCCC2=N Amb27213350 [0,0,0,2,0,0|2,0,0]=4 1116 B14R2.1158 CC[C@@H]1C[C@H]1CN2CCCNC2=O Amb27476593 [0,0,0,2,0,0|2,0,0]=4 1117 B14R2.1971 ClCC1CC1CC2CCCCCC2 Amb27191536 [0,0,0,2,0,0|1,0,1]=4 1118 B14R2.1971 NCC1CC1CC2CCCCCC2 Amb27191576 [0,0,0,2,0,0|1,0,1]=4 1119 B14R2.8144 OC1CCCCCCCCC2CC12 Amb28077951 [0,0,0,2,0,0|0,0,2]=4 1120 B14R2.11279 ClCC1CC1C2CCCCCCC2 Amb27874785 [0,0,0,2,0,0|1,0,1]=4 1121 B14R2.11725 CCC1CCCCCC12CC2CBr Amb35721319 [0,0,0,2,0,0|1,0,1]=4 1122 B14R2.11725 CCC1CCCCCC12CC2CCl Amb35721318 [0,0,0,2,0,0|1,0,1]=4 1123 B14R2.11725 CCC1CCCCCC12CC2CN Amb35733917 [0,0,0,2,0,0|1,0,1]=4 1124 B14R2.11725 CCC1CCCCCC12CC2CO Amb35672760 [0,0,0,2,0,0|0,0,2]=4 1125 B14R2.741 CC1CN2CCCCC2CNC1=O Amb26559932 [0,0,0,2,0,0|2,0,0]=4 1126 B14R2.741 C[C@H]1OC[C@H]2CCCC[C@@H]2NC1=O Amb27457698 [0,0,0,2,0,0|2,0,0]=4 1127 B14R2.5708 CC1CNC2CCCCCC2S1=O Amb27234437 [0,0,0,2,0,0|2,0,0]=4 1128 B14R2.5708 CN1C(=O)CC[C@@H]2CCCNC[C@H]21 Amb18192428 [0,0,0,2,0,0|2,0,0]=4 1129 B14R2.5708 CN1C(=O)CC[C@@H]2CCNCC[C@H]21 Amb18192426 [0,0,0,2,0,0|2,0,0]=4 1130 B14R2.5708 CN1C(=O)CC[C@@H]2CNCCC[C@H]21 Amb18192431 [0,0,0,2,0,0|2,0,0]=4 1131 B14R2.7726 O=C1N[C@H]2CCCCC[C@@H]2CC1Cl Amb28053695 [0,0,0,2,0,0|2,0,0]=4 1132 B14R2.7765 CC1=C2CCCCCCC2CC1=O Amb27954042 [0,0,0,2,0,0|0,0,2]=4 1133 B14R2.7765 O=C1OC2CCCCCCC2C1Cl Amb27236945 [0,0,0,2,0,0|2,0,0]=4 1134 B14R2.7765 O=C1O[C@H]2CCCCCC[C@@H]2[C@@H]1Cl Amb27849711 [0,0,0,2,0,0|2,0,0]=4 1135 B14R2.7963 O=S1CCNC2CCCCCCC21 Amb27235759 [0,0,0,2,0,0|2,0,0]=4 1136 B14R2.4175 O=C1OC2CCCCCC2C1CCl Amb28456418 [0,0,0,2,0,0|2,0,0]=4 1137 B14R2.19851 O=C=NC12CCCCC1CCCC2 Amb28208439 [0,0,0,2,0,0|1,0,1]=4 1138 B14R2.19851 O=CCC12CCCCC1CCCC2 Amb27954217 [0,0,0,2,0,0|0,0,0]=2 1139 B14R2.391 O=C1CCCCC2CCCCC2N1 Amb27882905 [0,0,0,2,0,0|1,0,0]=3 1140 B14R2.4911 OC12CCCCCCCCC1CC2 Amb25793457 [0,0,0,2,0,0|0,0,2]=4 1141 B14R2.5594 OC1CCC2CCCCCCC=C12 Amb28138753 [0,0,0,2,0,0|2,0,0]=4 1142 B14R2.517 O=C1CC2CCCCC2N1CCCl Amb28284000 [0,0,0,2,0,0|2,0,0]=4 1143 B14R2.203 CCC1C(=O)CCC2=C1CCCC2 Amb28122396 [0,0,0,2,0,0|0,0,2]=4 1144 B14R2.203 CCC1C(=O)NCC2CCCCN21 Amb26617660 [0,0,0,2,0,0|2,0,0]=4 1145 B14R2.203 CCN1C(=O)CCC2CNCCC21 Amb27640793 [0,0,0,2,0,0|2,0,0]=4 1146 B14R2.203 C[C@@H]1C=C[C@@H]2CCCC[C@H]2[C@H]1C=O Amb27210566 [0,0,0,2,0,0|0,0,2]=4 1147 B14R2.203 C[C@@H]1CC=C2CCCC[C@H]2[C@@H]1C=O Amb28321890 [0,0,0,2,0,0|0,0,2]=4 1148 B14R2.527 CCCN1CCC[C@H]2C(=O)NC[C@H]21 Amb27968538 [0,0,0,2,0,0|2,0,0]=4 1149 B14R2.1128 C#CC1CC2CCCCC2CC1=O Amb28321886 [0,0,0,2,0,0|0,0,2]=4 1150 B14R2.1128 C#C[C@@H]1C[C@H]2CCCC[C@@H]2CC1=O Amb27435386 [0,0,0,2,0,0|0,0,2]=4 1151 B14R2.1128 CCC1O[C@H]2CCCC[C@@H]2NC1=O Amb27853533 [0,0,0,2,0,0|2,0,0]=4 1152 B14R2.1128 CCN1CC2CCCCN2CC1=O Amb24527643 [0,0,0,2,0,0|2,0,0]=4 1153 B14R2.1128 N#CC1CC2CCCCC2CC1=O Amb28200055 [0,0,0,2,0,0|1,0,1]=4 1154 B14R2.1128 N#CC1CC2CCCC[C@@H]2CC1=O Amb27587324 [0,0,0,2,0,0|1,0,1]=4 1155 B14R2.1128 NCC1CC2CCCCC2NC1=O Amb19375170 [0,0,0,2,0,0|2,0,0]=4 1156 B14R2.1129 COC1CC2CCCCC2C1C=O Amb28201118 [0,0,0,2,0,0|1,0,0]=3 1157 B14R2.10078 C=CCCN1C2CCCC1CCC2 Amb28065513 [0,0,0,2,0,0|2,0,0]=4 1158 B14R2.67 C=CCCN1CC2CCCCC2C1 Amb28454673 [0,0,0,2,0,0|2,0,0]=4 1159 B14R2.67 O=CCCN1CC2CCCCC2C1 Amb27251332 [0,0,0,2,0,0|1,0,0]=3 1160 B14R2.293 C=C1CCCCC12CCCCC2=O Amb28202394 [0,0,0,2,0,0|0,0,2]=4 1161 B14R2.293 O=C1NCCC[C@]12CCCC[C@@H]2O Amb27966655 [0,0,0,2,0,0|2,0,0]=4 1162 B14R2.293 O=C1NCCC[C@]12CCCC[C@H]2O Amb27217317 [0,0,0,2,0,0|2,0,0]=4 1163 B14R2.294 CC1CC1CNC2CCCNC2=O Amb28063542 [0,0,0,2,0,0|2,0,0]=4 1164 B14R2.296 CC1=CCCC1C2CCCCC2=O Amb28461152 [0,0,0,2,0,0|0,0,2]=4 1165 B14R2.296 CC1CCCC1N2CCCCC2=N Amb28317821 [0,0,0,2,0,0|2,0,0]=4 1166 B14R2.296 CC1CCCCC1N2CCNC2=O Amb24687561 [0,0,0,2,0,0|2,0,0]=4 1167 B14R2.296 CC1CCCCN1C2CCCC2=O Amb9660737 [0,0,0,2,0,0|1,0,0]=3 1168 B14R2.296 CC1CSCCN1C2CCCC2=O Amb28070515 [0,0,0,2,0,0|2,0,0]=4 1169 B14R2.296 CN1CCCC1C2CCCCC2=O Amb27754847 [0,0,0,2,0,0|1,0,0]=3 1170 B14R2.296 CN1CCCCC1C2CCCC2=O Amb27416067 [0,0,0,2,0,0|1,0,0]=3 1171 B14R2.296 CN1CCOCC1C2CCCC2=O Amb27827186 [0,0,0,2,0,0|2,0,0]=4 1172 B14R2.296 O=C1CCCC1[C@@H]2CCCC[C@H]2O Amb28350346 [0,0,0,2,0,0|1,0,0]=3 1173 B14R2.296 O=C1CCCCC1C2CCCC2O Amb28042816 [0,0,0,2,0,0|1,0,0]=3 1174 B14R2.296 O=C1CCCN1[C@@H]2CCCC[C@H]2Cl Amb27797367 [0,0,0,2,0,0|2,0,0]=4 1175 B14R2.918 CCCCC1=CC2C(=O)CCCC12 Amb27164676 [0,0,0,2,0,0|0,0,2]=4 1176 B14R2.1091 CCC1CCN1C2CCCNC2=O Amb28182940 [0,0,0,2,0,0|2,0,0]=4 1177 B14R2.4612 O=C1CCNCC12CCCOCC2 Amb18191963 [0,0,0,2,0,0|2,0,0]=4 1178 B14R2.4612 O=C1CCNCC12CCCSCC2 Amb18187600 [0,0,0,2,0,0|2,0,0]=4 1179 B14R2.4612 O=C1NCCCC12CCCCCC2 Amb33070950 [0,0,0,2,0,0|1,0,0]=3 1180 B14R2.4612 O=C1NCCNC12CCCCCC2 Amb18943906 [0,0,0,2,0,0|2,0,0]=4 1181 B14R2.4622 O=C1NCCCC1CNCC2CC2 Amb32756844 [0,0,0,2,0,0|2,0,0]=4 1182 B14R2.4622 OC1CCCCC1CCCC2CC2 Amb33213348 [0,0,0,2,0,0|0,0,2]=4 1183 B14R2.4622 O[C@@H]1CCCC[C@H]1CCCC2CC2 Amb33213155 [0,0,0,2,0,0|0,0,2]=4 1184 B14R2.4634 N=C1CCCCN1CCC2CCC2 Amb28255375 [0,0,0,2,0,0|2,0,0]=4 1185 B14R2.4634 O=C1CNCCN1CCC2CCC2 Amb27251935 [0,0,0,2,0,0|2,0,0]=4 1186 B14R2.4634 O=C1NCCCC1CCC2CCC2 Amb27795725 [0,0,0,2,0,0|1,0,0]=3 1187 B14R2.4634 OC1CCCCC1CCC2CCC2 Amb27618902 [0,0,0,2,0,0|0,0,2]=4 1188 B14R2.4634 O[C@@H]1CCCC[C@H]1CCC2CCC2 Amb32950096 [0,0,0,2,0,0|0,0,2]=4 1189 B14R2.11638 CC12CCCCC1CCCC2CO Amb27977981 [0,0,0,2,0,0|0,0,2]=4 1190 B14R2.5220 CC1CC1NC2C=CCCCCC2 Amb28388239 [0,0,0,2,0,0|2,0,0]=4 1191 B14R2.5216 OC1CCCC1CCCC2CCC2 Amb32945101 [0,0,0,2,0,0|0,0,2]=4 1192 B14R2.5216 O[C@@H]1CCC[C@H]1CCCC2CCC2 Amb33212987 [0,0,0,2,0,0|0,0,2]=4 1193 B14R2.11789 NCC1CCCCCC1C2CCC2 Amb27971740 [0,0,0,2,0,0|1,0,1]=4 1194 B14R2.12797 C1CCC(CCC2CCC2)CNC1 Amb27850408 [0,0,0,2,0,0|2,0,0]=4 1195 B14R2.855 CCCCC1C=CC2CCC1C2=O Amb27750420 [0,0,0,2,0,0|0,0,2]=4 1196 B14R2.1163 O=C1CCC2C(CO)CCCCN12 Amb28455245 [0,0,0,2,0,0|2,0,0]=4 1197 B14R2.309 CC1CCCC1CN2CCNC2=O Amb27171612 [0,0,0,2,0,0|2,0,0]=4 1198 B14R2.309 CC1CCCC1NC2CCOC2=O Amb28070420 [0,0,0,2,0,0|2,0,0]=4 1199 B14R2.5202 O=C1CCCC1=C2CCCCCC2 Amb27599376 [0,0,0,2,0,0|0,0,2]=4 1200 B14R2.5202 O=C1CCCC1C2CCCCCN2 Amb23585600 [0,0,0,2,0,0|1,0,0]=3 1201 B14R2.5202 O=C1CCCN1C2CCCNCC2 Amb13783504 [0,0,0,2,0,0|2,0,0]=4 1202 B14R2.5202 O=C1CNCN1C2CCCCCC2 Amb27204967 [0,0,0,2,0,0|2,0,0]=4 1203 B14R2.5202 O=C1COCC1C2CCCCCC2 Amb35639054 [0,0,0,2,0,0|1,0,0]=3 1204 B14R2.5202 O=C1NCCN1C2CCCCCC2 Amb26921066 [0,0,0,2,0,0|2,0,0]=4 1205 B14R2.5202 OC1CCCC1C2CCCCCC2 Amb25717311 [0,0,0,2,0,0|0,0,2]=4 1206 B14R2.5202 O[C@@H]1CCC[C@H]1C2CCCCCC2 Amb32950039 [0,0,0,2,0,0|0,0,2]=4 1207 B14R2.12796 C1=CC(NCC2CC2)CCCCC1 Amb28388240 [0,0,0,2,0,0|2,0,0]=4 1208 B14R2.32000 O=CCCCC12CCC[C@H]1OCC2 Amb33447711 [0,0,0,2,0,0|1,0,0]=3