0 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 Amb6296829 [0,0,0,0,0,0|0,0,0]=0 1 B16R1.8816 FC1=CCCCCCCCCCCCCC1 Amb22641508 [1,0,0,0,0,0|1,0,1]=3 2 B16R1.8816 O=C1CCCCCCCCCCCCCC1 Amb6357375 [1,0,0,0,0,0|0,0,0]=1 3 B16R1.8816 O=C1CCCCCCCCCCOCCO1 Amb533453 [1,0,0,0,0,0|2,0,0]=3 4 B16R1.8816 OC1CCCCCCCCCCCCCC1 Amb6357514 [1,0,0,0,0,0|0,0,2]=3 5 B16R0.61 CCCCCCCCCCCCC(=O)OCCl Amb32414072 [0,0,1,0,0,0|2,0,0]=3 6 B16R0.61 CCOC(=O)CCCCCCCCCCCBr Amb32406014 [0,0,1,0,0,0|2,0,0]=3 7 B16R0.61 CCOC(=O)CCCCCCCCCCCN Amb28858255 [0,0,1,0,0,0|2,0,0]=3 8 B16R0.61 CCOC(=O)CCCCCCCCCCCN Amb32668359 [0,0,1,0,0,0|2,0,0]=3 9 B16R0.154 CCCCCCCCCC(=O)CC(=O)OCC Amb30627695 [0,0,1,0,0,0|2,0,1]=4 10 B16R0.194 CCCCCCC(=O)OC(=O)CCCCCC Amb8513846 [0,0,1,0,0,0|2,0,1]=4 11 B16R0.194 CCCCCCC(C)NC(C)CCCCCC Amb9612092 [0,0,1,0,0,0|2,0,1]=4 12 B16R0.274 C=CCCCCCCCCCCCCC(=O)O Amb22489917 [0,0,1,0,0,0|1,0,2]=4 13 B16R0.274 CCCCCCCCCCCCCOC(C)=O Amb22352318 [0,0,1,0,0,0|1,0,0]=2 14 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb20622364 [0,0,1,0,0,0|2,0,0]=3 15 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb22059079 [0,0,1,0,0,0|2,0,0]=3 16 B16R0.274 O=C(O)CCCCCCCCCCCCCO Amb22489916 [0,0,1,0,0,0|2,0,0]=3 17 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C Amb17935700 [0,0,1,0,0,0|1,0,0]=2 18 B15R0.70 CCCCCCCCCCCCCCCBr Amb8516462 [1,0,1,0,0,0|1,0,1]=4 19 B15R0.70 CCCCCCCCCCCCCCCC Amb8513181 [1,0,1,0,0,0|0,0,1]=3 20 B15R0.70 CCCCCCCCCCCCCCCI Amb28990876 [1,0,1,0,0,0|1,0,1]=4 21 B15R0.70 CCCCCCCCCCCCCCCO Amb8513284 [1,0,1,0,0,0|0,0,2]=4 22 B15R0.70 CCCCCCCCCCCCCNCC Amb32410618 [1,0,1,0,0,0|1,0,1]=4 23 B15R0.70 CCCCCCCCCCCCNCCO Amb9787054 [1,0,1,0,0,0|2,0,0]=4 24 B15R0.70 CCCCCCCCCCCCOCCO Amb9787185 [1,0,1,0,0,0|2,0,0]=4 25 B15R0.70 CCCCCCCCCCCCSCCO Amb1085984 [1,0,1,0,0,0|2,0,0]=4 26 B15R0.70 CCCCCCCCCNCCCCCC Amb17308746 [1,0,1,0,0,0|1,0,1]=4 27 B15R0.70 CCCCCCCCNCCCCCCC Amb20077794 [1,0,1,0,0,0|1,0,1]=4 28 B15R0.70 CNCCCCCCCCCCCCNC Amb10070079 [1,0,1,0,0,0|2,0,0]=4 29 B15R0.81 CCCCCCCCCCCCC(=O)OC Amb21928887 [1,0,1,0,0,0|1,0,0]=3 30 B15R0.81 CCCCCCCCCCCCC(C)CO Amb28556616 [1,0,1,0,0,0|0,0,1]=3 31 B15R0.81 CCCCCCCCCCCCC(Cl)CCl Amb9787296 [1,0,1,0,0,0|2,0,0]=4 32 B15R0.81 CCCCCCCCCCCCC(O)CO Amb17674268 [1,0,1,0,0,0|1,0,1]=4 33 B15R0.81 COC(=O)CCCCCCCCCCCBr Amb4466753 [1,0,1,0,0,0|2,0,0]=4 34 B15R0.81 COC(=O)CCCCCCCCCCCN Amb17608040 [1,0,1,0,0,0|2,0,0]=4 35 B15R0.81 COC(=O)CCCCCCCCCCCN Amb21856053 [1,0,1,0,0,0|2,0,0]=4 36 B15R0.366 CCCCCCCCCCCC(=O)OCC Amb6366580 [1,0,1,0,0,0|1,0,0]=3 37 B15R0.366 CCCCCCCCCCCC(=O)OCCl Amb32413654 [1,0,1,0,0,0|2,0,0]=4 38 B15R0.366 CCCCCCCCNCCC(=O)OCC Amb20673293 [1,0,1,0,0,0|2,0,0]=4 39 B15R0.366 CCOC(=O)CCCCCCCCCCN Amb33804736 [1,0,1,0,0,0|2,0,0]=4 40 B15R0.322 CCCCCCCCCC(=O)CCCCC Amb22359716 [1,0,1,0,0,0|0,0,0]=2 41 B15R0.3221 CCCCCCCCCC(=O)OC(C)CC Amb33756844 [1,0,1,0,0,0|1,0,0]=3 42 B15R0.3221 CCCCCCCCCC(O)CC(=O)OC Amb21928822 [1,0,1,0,0,0|2,0,0]=4 43 B15R0.3221 CCCCCCCCC[C@@H](O)CC(=O)OC Amb31308367 [1,0,1,0,0,0|2,0,0]=4 44 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC Amb20673405 [1,0,1,0,0,0|2,0,0]=4 45 B15R0.149 CCCCCCCCC(=O)CCCCCC Amb6366426 [1,0,1,0,0,0|0,0,0]=2 46 B15R0.149 CCCCCCCCC(O)CCCCCC Amb6869644 [1,0,1,0,0,0|0,0,2]=4 47 B15R0.164 CCCCCCCCCCCCCC(=O)Cl Amb3940239 [1,0,1,0,0,0|1,0,0]=3 48 B15R0.164 CCCCCCCCCCCCCC(=O)O Amb2708780 [1,0,1,0,0,0|1,0,0]=3 49 B15R0.164 CCCCCCCCCCCCCC(N)=O Amb6366249 [1,0,1,0,0,0|1,0,0]=3 50 B15R0.164 CCCCCCCCCCCCNC(N)=O Amb2720910 [1,0,1,0,0,0|2,0,0]=4 51 B15R0.164 CCCCCCCCCCCCOC(=O)Cl Amb22002629 [1,0,1,0,0,0|2,0,0]=4 52 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb20630815 [1,0,1,0,0,0|2,0,0]=4 53 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb22059078 [1,0,1,0,0,0|2,0,0]=4 54 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [1,0,1,0,0,0|2,0,0]=4 55 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [1,0,1,0,0,0|2,0,0]=4 56 B15R0.164 CN(C)CCCCCCCCCCCCN Amb24117502 [1,0,1,0,0,0|2,0,0]=4 57 B15R0.133 CCCCCCCC(=O)CCCCCCC Amb4008786 [1,0,1,0,0,0|0,0,0]=2 58 B15R0.133 CCCCCCCC(N)CCCCCCC Amb29838329 [1,0,1,0,0,0|1,0,1]=4 59 B15R0.133 CCCCCCOC(=O)OCCCCCC Amb17666974 [1,0,1,0,0,0|2,0,0]=4 60 B17R0.116 CCCCCCCCCCCOC(=O)CC(C)=O Amb9787153 [0,1,1,0,0,0|1,0,1]=4 61 B17R0.250 CCCCCCCCCCCCCC(=O)OCC Amb8517581 [0,1,1,0,0,0|1,0,0]=3 62 B17R0.250 CCCCCCCCCCCCNC(=O)CNC Amb24115169 [0,1,1,0,0,0|1,0,0]=3 63 B17R0.10075 C=CC[N+](C)(C)CCCCCCCCCCCC Amb9786183 [0,1,1,0,0,0|2,0,0]=4 64 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O Amb22642012 [0,1,1,0,0,0|1,0,1]=4 65 B17R0.43 CC(C)CCCCCCCCCCCCCCO Amb33716444 [0,1,1,0,0,0|0,0,2]=4 66 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl Amb8515345 [0,1,1,0,0,0|1,0,0]=3 67 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb2708781 [0,1,1,0,0,0|1,0,0]=3 68 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb32414662 [0,1,1,0,0,0|1,0,0]=3 69 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb34915028 [0,1,1,0,0,0|1,0,0]=3 70 B17R0.43 CCCCCCCCCCCCCCCC(N)=O Amb9787492 [0,1,1,0,0,0|1,0,0]=3 71 B17R0.43 CCCCCCCCCCCCCCCN(C)C Amb33840036 [0,1,1,0,0,0|2,0,0]=4 72 B17R0.43 CCCCCCCCCCCCCCOC(C)=O Amb9787312 [0,1,1,0,0,0|0,0,0]=2 73 B17R0.43 CCCCCCCCCCCCOCCC(N)=S Amb13953231 [0,1,1,0,0,0|1,1,0]=4 74 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [0,1,1,0,0,0|1,0,0]=3 75 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O Amb21928725 [0,1,1,0,0,0|1,0,1]=4 76 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [0,1,1,0,0,0|1,0,0]=3 77 B17R0.43 CCCCCCCC\C=C\CCCCCC(=O)O Amb31031047 [0,1,1,0,0,0|1,0,1]=4 78 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O Amb33723687 [0,1,1,0,0,0|1,0,1]=4 79 B17R0.43 CC\C=C/CCCCCCCCCCOC(C)=O Amb9134747 [0,1,1,0,0,0|0,0,2]=4 80 B17R0.43 NCCCCCCCCCCCCCCC(=O)O Amb33624987 [0,1,1,0,0,0|1,0,0]=3 81 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr Amb16231526 [0,1,1,0,0,0|1,0,0]=3 82 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr Amb22047393 [0,1,1,0,0,0|0,0,0]=2 83 B17R0.195 CCCCCCCCCCCCCCC(=O)OC Amb7092017 [0,1,1,0,0,0|0,0,0]=2 84 B17R0.195 CCCCCCCCCCCCCCC(O)CO Amb17940830 [0,1,1,0,0,0|0,0,2]=4 85 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb20622600 [0,1,1,0,0,0|1,0,0]=3 86 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb22157193 [0,1,1,0,0,0|1,0,0]=3 87 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O Amb22053907 [0,1,1,0,0,0|2,0,0]=4 88 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C Amb8383486 [0,1,1,0,0,0|2,0,0]=4 89 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C Amb8384021 [0,1,1,0,0,0|2,0,0]=4 90 B17R0.1713 CC(=O)CCCCCCCCCCCCC(C)=O Amb10602505 [0,1,1,0,0,0|0,0,1]=3 91 B17R0.191 CCCCCCCCCCNC(=O)C(Br)C(C)C Amb17323199 [0,1,1,0,0,0|1,0,0]=3 92 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC Amb6295881 [0,1,1,0,0,0|1,0,1]=4 93 B17R0.13601 CCCCCCCCCCC[C@@H](O)CC(=O)OC Amb17615621 [0,1,1,0,0,0|1,0,0]=3 94 B17R0.13601 CCCCCCCCCCC[C@H](O)CC(=O)OC Amb17615622 [0,1,1,0,0,0|1,0,0]=3 95 B17R0.13612 CC(C)(C)OC(=O)CCCCCCCCCCN Amb33802338 [0,1,1,0,0,0|2,0,0]=4 96 B17R0.13612 CCCCCCCCNCCC(=O)OC(C)(C)C Amb20673267 [0,1,1,0,0,0|2,0,0]=4 97 B17R1.444 CC1CCCCCCCCCCCCCC1=O Amb22641509 [1,1,0,0,0,0|0,0,0]=2 98 B17R1.1425 CCCCCCCCCCCCN1CCCC1 Amb9786401 [0,0,1,1,0,0|2,0,0]=4 99 B17R1.1425 CCCCCCCCCCCC[NH+]1CCCC1 Amb9786432 [0,0,1,1,0,0|2,0,0]=4 100 B17R1.11298 O=C1CCCCCCCCCCCCCCC1 Amb23453288 [0,0,1,1,0,0|0,0,0]=2 101 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 Amb536728 [0,0,1,1,0,0|1,0,0]=3 102 B17R1.16233 C=C(C)COC1CCCCCCCCCCC1 Amb22641510 [0,0,1,1,0,0|2,0,0]=4 103 B17R1.16233 O=C(O)COC1CCCCCCCCCCC1 Amb32946021 [0,0,1,1,0,0|2,0,0]=4 104 B17R1.29093 CCCCCCCCCCCCCCC1CO1 Amb22274870 [0,0,1,1,0,0|0,0,2]=4 105 B17R1.23822 COC(=O)[C@@H]1CCCCCCCCCC[C@@H]1N Amb33193013 [0,0,1,1,0,0|2,0,0]=4 106 B17R1.180031 O=C(CCl)NC1CCCCCCCCCCC1 Amb3093926 [0,0,1,1,0,0|2,0,0]=4 107 B17R1.1292 CCCNCCCOC(=O)CC1CCCCC1 Amb18928623 [0,0,1,1,0,0|2,0,0]=4 108 B17R1.6947 CCCCCCCCC(=O)N1CCNCC1C Amb20675176 [0,0,1,1,0,0|2,0,0]=4 109 B17R1.1889 CCCCCC(C)NC(=O)NC1CCCCC1 Amb17797538 [0,0,1,1,0,0|2,0,0]=4 110 B15R0.1954 CCCCCNC(=O)C(C)NCCCCC Amb9204286 [0,0,1,0,1,0|2,0,0]=4 111 B15R0.84 CCCCCCCCCCNC(=O)C(C)Br Amb17332064 [0,0,1,0,1,0|2,0,0]=4 112 B15R0.324 CCCCCCCCCCC(Br)C(=O)OC Amb17673704 [0,0,1,0,1,0|2,0,0]=4 113 B15R0.324 CCCCCCCCNCC(C)C(=O)OC Amb20673404 [0,0,1,0,1,0|2,0,0]=4