0 B15R0.164 C#CCCCCCCCCCCCC(=O)O Amb22642011 [0,0,0,0,0,0|0,0,4]=4 1 B15R0.164 CCCCCCCCCCCCCC(=O)Cl Amb3940239 [0,0,0,0,0,0|1,0,2]=3 2 B15R0.164 CCCCCCCCCCCCCC(=O)O Amb2708780 [0,0,0,0,0,0|0,0,2]=2 3 B15R0.164 CCCCCCCCCCCCCC(N)=O Amb6366249 [0,0,0,0,0,0|1,0,2]=3 4 B15R0.164 CCCCCCCCCCCCNC(N)=O Amb2720910 [0,0,0,0,0,0|2,0,2]=4 5 B15R0.164 CCCCCCCCCCCCOC(=O)Cl Amb22002629 [0,0,0,0,0,0|2,0,2]=4 6 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb20630815 [0,0,0,0,0,0|1,0,2]=3 7 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb22059078 [0,0,0,0,0,0|1,0,2]=3 8 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [0,0,0,0,0,0|1,0,2]=3 9 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [0,0,0,0,0,0|1,0,2]=3 10 B14R0.392 C=CCCCCCCCCCCCCC Amb6336502 [1,0,0,0,0,0|1,0,2]=4 11 B14R0.392 CCCCCCCCCCCCCC=O Amb3940435 [1,0,0,0,0,0|0,0,2]=3 12 B14R0.392 CCCCCCCCCCCCCCO Amb3940391 [1,0,0,0,0,0|0,0,3]=4 13 B14R0.392 CCCC\C=C/CCCCCCCCO Amb24053303 [1,0,0,0,0,0|0,0,1]=2 14 B14R0.392 CCC\C=C/C=C/CCCCCCC=O Amb21965169 [1,0,0,0,0,0|0,0,2]=3 15 B14R0.394 C#CCCCCCCCCCCC(=O)O Amb1396957 [1,0,0,0,0,0|0,0,3]=4 16 B14R0.394 C=CCCCCCCCCCCC(=O)O Amb6297458 [1,0,0,0,0,0|0,0,3]=4 17 B14R0.394 CCCCCCCCCCCCB(O)O Amb13890365 [1,0,0,0,0,0|1,0,2]=4 18 B14R0.394 CCCCCCCCCCCCC(=O)O Amb8513363 [1,0,0,0,0,0|0,0,1]=2 19 B14R0.394 CCCCCCCCCCCCC(C)=O Amb22730728 [1,0,0,0,0,0|1,0,1]=3 20 B14R0.394 CCCCCCCCCCCCC(C)O Amb8513348 [1,0,0,0,0,0|1,0,2]=4 21 B14R0.394 CCCCCCCCCCCOC(C)=O Amb6366704 [1,0,0,0,0,0|2,0,1]=4 22 B14R0.394 N#CCCCCCCCCCCC(=O)O Amb4014736 [1,0,0,0,0,0|1,0,2]=4 23 B14R0.394 NCCCCCCCCCCCC(=O)O Amb3940462 [1,0,0,0,0,0|1,0,1]=3 24 B14R0.394 O=C(O)CCCCCCCCCCCBr Amb3940328 [1,0,0,0,0,0|1,0,1]=3 25 B14R0.394 O=C(O)CCCCCCCCCCCO Amb3940329 [1,0,0,0,0,0|1,0,1]=3 26 B16R0.165 O=C(O)CCCCCCCCCCC(F)CBr Amb22547636 [0,1,0,0,0,0|1,0,2]=4 27 B16R0.221 CCCCCCCCCCCCCC(=O)NN Amb17779807 [0,1,0,0,0,0|1,0,2]=4 28 B16R0.221 CCCCCCCCCCCCCC(=O)NN Amb6493018 [0,1,0,0,0,0|1,0,2]=4 29 B16R0.221 CCCCCCCCCCCCCC(=O)OC Amb8513623 [0,1,0,0,0,0|0,0,2]=3 30 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O Amb17939323 [0,1,0,0,0,0|0,0,2]=3 31 B16R0.224 CCCCCCCCCCCCC(N)C(=O)O Amb34912725 [0,1,0,0,0,0|0,0,2]=3 32 B16R0.224 CCCCCCCCCCCC[C@@H](N)C(=O)O Amb34912481 [0,1,0,0,0,0|0,0,2]=3 33 B16R0.224 CCCCCCCCCCCC[C@H](N)C(=O)O Amb34913958 [0,1,0,0,0,0|0,0,2]=3 34 B16R0.274 C=CCCCCCCCCCCCCC(=O)O Amb22489917 [0,1,0,0,0,0|0,0,3]=4 35 B16R0.274 CCCCCCCCCCCCCOC(C)=O Amb22352318 [0,1,0,0,0,0|1,0,2]=4 36 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb20622364 [0,1,0,0,0,0|0,0,2]=3 37 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb22059079 [0,1,0,0,0,0|0,0,2]=3 38 B16R0.274 O=C(O)CCCCCCCCCCCCCO Amb22489916 [0,1,0,0,0,0|0,0,2]=3 39 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 Amb10807863 [0,0,0,1,0,0|0,0,2]=3 40 B16R1.8816 O=C1CCCCCCCCCCCCCC1 Amb6357375 [0,0,0,1,0,0|1,0,2]=4 41 B16R1.8816 O=C1CCCCCCCCCCOCCO1 Amb533453 [0,0,0,1,0,0|1,0,2]=4 42 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 Amb1033013 [0,0,0,1,0,0|1,0,2]=4 43 B13R0.336 CCCCCCCCCCCCCO Amb2748034 [2,0,0,0,0,0|0,0,2]=4 44 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [2,0,0,0,0,0|0,0,2]=4 45 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [2,0,0,0,0,0|1,0,0]=3 46 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [2,0,0,0,0,0|0,0,0]=2 47 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [2,0,0,0,0,0|0,0,1]=3 48 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [2,0,0,0,0,0|0,0,1]=3 49 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [2,0,0,0,0,0|1,0,0]=3 50 B13R0.54 CCCCCCCCCCCC(N)=S Amb13953232 [2,0,0,0,0,0|1,1,0]=4 51 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [2,0,0,0,0,0|2,0,0]=4 52 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [2,0,0,0,0,0|0,0,2]=4 53 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [2,0,0,0,0,0|0,0,2]=4 54 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [2,0,0,0,0,0|1,0,0]=3 55 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [2,0,0,0,0,0|1,0,0]=3 56 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [2,0,0,0,0,0|2,0,0]=4 57 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [2,0,0,0,0,0|1,0,0]=3 58 B13R0.54 CCCC\C=C/CCCCOC(C)=O Amb4025835 [2,0,0,0,0,0|2,0,0]=4 59 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [2,0,0,0,0,0|1,0,1]=4 60 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [2,0,0,0,0,0|2,0,0]=4 61 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [2,0,0,0,0,0|1,0,0]=3 62 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [2,0,0,0,0,0|1,0,0]=3 63 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [2,0,0,0,0,0|1,0,0]=3 64 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [2,0,0,0,0,0|1,0,0]=3 65 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [2,0,0,0,0,0|1,0,0]=3 66 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O Amb3354796 [1,1,0,0,0,0|1,0,1]=4 67 B15R0.252 CCCCCCCCCCCCP(=O)(O)O Amb9786422 [1,1,0,0,0,0|1,0,1]=4 68 B17R0.195 CCCCCCCCCCCCCCC(=O)OC Amb7092017 [0,2,0,0,0,0|0,0,2]=4 69 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb20622600 [0,2,0,0,0,0|0,0,2]=4 70 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb22157193 [0,2,0,0,0,0|0,0,2]=4 71 B17R0.250 CCCCCCCCCCCCCC(=O)OCC Amb8517581 [0,2,0,0,0,0|0,0,2]=4 72 B17R0.3112 CCCCCCCCCCCCC(Br)C(=O)OC Amb10559746 [0,2,0,0,0,0|0,0,2]=4 73 B17R0.13601 CCCCCCCCCCC[C@@H](O)CC(=O)OC Amb17615621 [0,2,0,0,0,0|0,0,2]=4 74 B17R0.13601 CCCCCCCCCCC[C@H](O)CC(=O)OC Amb17615622 [0,2,0,0,0,0|0,0,2]=4 75 B17R0.3218 CCCCCCCCCCCCC(C)(C)C(=O)O Amb23967939 [0,2,0,0,0,0|0,0,2]=4 76 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O Amb22642012 [0,2,0,0,0,0|0,0,2]=4 77 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb2708781 [0,2,0,0,0,0|0,0,2]=4 78 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb32414662 [0,2,0,0,0,0|0,0,2]=4 79 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb34915028 [0,2,0,0,0,0|0,0,2]=4 80 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [0,2,0,0,0,0|0,0,2]=4 81 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O Amb21928725 [0,2,0,0,0,0|0,0,2]=4 82 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [0,2,0,0,0,0|0,0,2]=4 83 B17R0.43 CCCCCCCC\C=C\CCCCCC(=O)O Amb31031047 [0,2,0,0,0,0|0,0,2]=4 84 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O Amb33723687 [0,2,0,0,0,0|0,0,0]=2 85 B17R0.43 NCCCCCCCCCCCCCCC(=O)O Amb33624987 [0,2,0,0,0,0|0,0,2]=4 86 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr Amb16231526 [0,2,0,0,0,0|0,0,2]=4 87 B15R1.106 CCCCCCCCC1CCCC(=O)O1 Amb22732769 [1,0,0,1,0,0|0,0,1]=3 88 B15R1.131 CC1CC=CCC1COCCCC(=O)O Amb9208703 [1,0,0,1,0,0|1,0,0]=3 89 B15R1.131 CC1CCCCC1OCCCCC(=O)O Amb9207791 [1,0,0,1,0,0|1,0,1]=4 90 B15R1.504 O=C(O)CCCCOCC1CCCCO1 Amb9207796 [1,0,0,1,0,0|2,0,0]=4 91 B15R1.8900 O=C(O)CCCCCCCCCC1CC1 Amb33166758 [1,0,0,1,0,0|0,0,1]=3 92 B15R1.9036 CC(=O)C1CCCCCCCCCCC1 Amb1033011 [1,0,0,1,0,0|1,0,1]=4 93 B15R1.9036 O=C(O)C1CCCCCCCCCCC1 Amb22347939 [1,0,0,1,0,0|0,0,1]=3 94 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 Amb536728 [0,1,0,1,0,0|0,0,2]=4 95 B17R1.16233 O=C(O)COC1CCCCCCCCCCC1 Amb32946021 [0,1,0,1,0,0|0,0,2]=4