0 B17R1.11298 O=C1CCCCCCCCCCCCCCC1 Amb23453288 [0,0,0,0,0,0|1,0,0]=1 1 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 Amb536728 [0,0,0,0,0,0|0,0,0]=0 2 B16R0.61 CCCCCCCCCCCCC(=O)OCCl Amb32414072 [0,0,1,0,0,0|1,0,0]=2 3 B16R0.61 CCOC(=O)CCCCCCCCCCCBr Amb32406014 [0,0,1,0,0,0|1,0,0]=2 4 B16R0.61 CCOC(=O)CCCCCCCCCCCN Amb28858255 [0,0,1,0,0,0|1,0,0]=2 5 B16R0.61 CCOC(=O)CCCCCCCCCCCN Amb32668359 [0,0,1,0,0,0|1,0,0]=2 6 B16R0.221 C=CC(=O)OCCCCCCCCCCCC Amb17934077 [0,0,1,0,0,0|0,0,2]=3 7 B16R0.221 CCCCCCCCCCCCCC(=O)NN Amb17779807 [0,0,1,0,0,0|2,0,0]=3 8 B16R0.221 CCCCCCCCCCCCCC(=O)NN Amb6493018 [0,0,1,0,0,0|2,0,0]=3 9 B16R0.221 CCCCCCCCCCCCCC(=O)OC Amb8513623 [0,0,1,0,0,0|0,0,0]=1 10 B16R0.221 CCCCCCCCCCCCCC(O)CC Amb22234780 [0,0,1,0,0,0|1,0,2]=4 11 B16R0.221 CCCCCCCCCCCCNC(=O)CCl Amb9786179 [0,0,1,0,0,0|2,0,0]=3 12 B16R0.221 CCCCCCCCCCCCNC(=O)CN Amb23440885 [0,0,1,0,0,0|2,0,0]=3 13 B16R0.221 CCCCCCCCCCCCOC(=O)CBr Amb9787144 [0,0,1,0,0,0|1,0,0]=2 14 B16R0.221 CCCCCCCCCCCCOC(=O)CC Amb31291585 [0,0,1,0,0,0|0,0,0]=1 15 B16R0.221 CCCCCCCCCCCCOC(=O)CCl Amb9787143 [0,0,1,0,0,0|1,0,0]=2 16 B16R0.221 CCCCCCCCCCCCOC(=O)CN Amb21520298 [0,0,1,0,0,0|1,0,0]=2 17 B16R0.221 CCCCCCCCCCCCS\C(N)=N\C Amb13951544 [0,0,1,0,0,0|2,1,0]=4 18 B16R0.221 COC(=O)CCCCCCCCCCN=[N+]=[N-] Amb34912868 [0,0,1,0,0,0|3,0,0]=4 19 B16R0.274 C=CCCCCCCCCCCCCC(=O)O Amb22489917 [0,0,1,0,0,0|0,0,2]=3 20 B16R0.274 CCCCCCCCCCCCCOC(C)=O Amb22352318 [0,0,1,0,0,0|0,0,0]=1 21 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb20622364 [0,0,1,0,0,0|1,0,0]=2 22 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb22059079 [0,0,1,0,0,0|1,0,0]=2 23 B16R0.274 O=C(O)CCCCCCCCCCCCCO Amb22489916 [0,0,1,0,0,0|1,0,0]=2 24 B16R0.274 O=C(O)CCCCCCCCCCCN=C=S Amb33471294 [0,0,1,0,0,0|2,0,1]=4 25 B16R0.274 O=C=NCCCCCCCCCCCC(=O)O Amb33471301 [0,0,1,0,0,0|2,0,1]=4 26 B16R0.274 [N-]=[N+]=NCCCCCCCCCCCC(=O)O Amb34912551 [0,0,1,0,0,0|3,0,0]=4 27 B16R0.303 C=CCCCCCCCCCCCCCC=C Amb22641570 [0,0,1,0,0,0|2,0,1]=4 28 B16R0.303 CCCCCCCCCCCCCCCC#N Amb33921986 [0,0,1,0,0,0|2,0,1]=4 29 B16R0.303 CCCCCCCCCCCCCCCC=O Amb6600126 [0,0,1,0,0,0|1,0,0]=2 30 B16R0.303 CCCCCCCCCCCCCCCCBr Amb6366441 [0,0,1,0,0,0|2,0,1]=4 31 B16R0.303 CCCCCCCCCCCCCCCCCl Amb8514668 [0,0,1,0,0,0|2,0,1]=4 32 B16R0.303 CCCCCCCCCCCCCCCCN Amb751923 [0,0,1,0,0,0|2,0,1]=4 33 B16R0.303 CCCCCCCCCCCCCCCCO Amb6354576 [0,0,1,0,0,0|1,0,1]=3 34 B16R0.303 CCCCCCCCCCCCCCCCS Amb8513184 [0,0,1,0,0,0|1,1,1]=4 35 B16R0.303 CCCCCCCCCCCCCCN=C=O Amb10070640 [0,0,1,0,0,0|1,0,1]=3 36 B16R0.303 CCCCCCCCCCCCCCN=C=S Amb19883892 [0,0,1,0,0,0|1,1,1]=4 37 B16R0.303 CCCC\C=C/CCCCCCCCCC=O Amb10807576 [0,0,1,0,0,0|1,0,2]=4 38 B16R0.303 CCCC\C=C\CCCCCCCCCC=O Amb9134745 [0,0,1,0,0,0|1,0,2]=4 39 B16R0.303 OCCCCCCCCCCCCCCCBr Amb1818124 [0,0,1,0,0,0|1,0,1]=3 40 B16R0.661 CCCCCCCCCCCC(=O)NCCO Amb4015062 [0,0,1,0,0,0|2,0,0]=3 41 B16R0.661 CCCCCCCCCCCC(=O)OCCC Amb9787145 [0,0,1,0,0,0|0,0,0]=1 42 B16R0.661 CCCCCCCCCCCC(=O)OCCCl Amb9789397 [0,0,1,0,0,0|1,0,0]=2 43 B16R0.661 CCCCCCCCCCNC(=O)CCCCl Amb17324426 [0,0,1,0,0,0|2,0,0]=3 44 B16R0.6603 CCCCCCCCCC(=O)CCCCCC Amb6366431 [0,0,1,0,0,0|1,0,0]=2 45 B16R0.6603 CCCCCCCCCC(O)CCCCCC Amb31030996 [0,0,1,0,0,0|1,0,2]=4 46 B18R2.39428 FC12CCCCCCCCCCCCCC1O2 Amb22547626 [0,0,0,1,0,0|1,0,1]=3 47 B16R1.8816 FC1=CCCCCCCCCCCCCC1 Amb22641508 [0,0,0,0,1,0|1,0,1]=3 48 B16R1.8816 O=C1CCCCCCCCCCCCCC1 Amb6357375 [0,0,0,0,1,0|0,0,0]=1 49 B16R1.8816 O=C1CCCCCCCCCCOCCO1 Amb533453 [0,0,0,0,1,0|1,0,0]=2 50 B16R1.8816 OC1CCCCCCCCCCCCCC1 Amb6357514 [0,0,0,0,1,0|0,0,2]=3 51 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 Amb533440 [0,0,0,0,0,1|0,0,0]=1 52 B15R0.70 BrCCCCCCCCCCCCCCBr Amb17671945 [1,0,1,0,0,0|2,0,0]=4 53 B15R0.70 C#CCCCCCCCCCCCCCO Amb22002151 [1,0,1,0,0,0|0,0,2]=4 54 B15R0.70 CCCCCCCCCCCCCCCBr Amb8516462 [1,0,1,0,0,0|1,0,1]=4 55 B15R0.70 CCCCCCCCCCCCCCCC Amb8513181 [1,0,1,0,0,0|1,0,1]=4 56 B15R0.70 CCCCCCCCCCCCCCCI Amb28990876 [1,0,1,0,0,0|1,0,1]=4 57 B15R0.70 CCCCCCCCCCCCCCCO Amb8513284 [1,0,1,0,0,0|0,0,1]=3 58 B15R0.70 CCCCCCCCCCCCCNCC Amb32410618 [1,0,1,0,0,0|1,0,1]=4 59 B15R0.70 CCCCCCCCCCCCNCCO Amb9787054 [1,0,1,0,0,0|1,0,1]=4 60 B15R0.70 CCCCCCCCCCCCOCCO Amb9787185 [1,0,1,0,0,0|1,0,1]=4 61 B15R0.70 CCCCCCCCCCCCSCCO Amb1085984 [1,0,1,0,0,0|1,0,1]=4 62 B15R0.70 CCCCCCCCCCCNCCCO Amb9786065 [1,0,1,0,0,0|1,0,1]=4 63 B15R0.70 CCCCCCCCCCOCCCCO Amb2099477 [1,0,1,0,0,0|1,0,1]=4 64 B15R0.70 CCCCCCCCCNCCCCCC Amb17308746 [1,0,1,0,0,0|1,0,1]=4 65 B15R0.70 CCCCCCCCNCCCCCCC Amb20077794 [1,0,1,0,0,0|1,0,1]=4 66 B15R0.70 OCCCCCCCCCCCCCCBr Amb2694731 [1,0,1,0,0,0|1,0,0]=3 67 B15R0.70 OCCCCCCCCCCCCCCO Amb2695005 [1,0,1,0,0,0|0,0,1]=3 68 B15R0.81 CCCCCCCCCCCCC(=O)OC Amb21928887 [1,0,1,0,0,0|0,0,0]=2 69 B15R0.81 COC(=O)CCCCCCCCCCCBr Amb4466753 [1,0,1,0,0,0|1,0,0]=3 70 B15R0.81 COC(=O)CCCCCCCCCCCN Amb17608040 [1,0,1,0,0,0|1,0,0]=3 71 B15R0.81 COC(=O)CCCCCCCCCCCN Amb21856053 [1,0,1,0,0,0|1,0,0]=3 72 B15R0.366 CCCCCCCCCCCC(=O)OCC Amb6366580 [1,0,1,0,0,0|0,0,0]=2 73 B15R0.366 CCCCCCCCCCCC(=O)OCCl Amb32413654 [1,0,1,0,0,0|1,0,0]=3 74 B15R0.366 CCCCCCCCNCCC(=O)OCC Amb20673293 [1,0,1,0,0,0|1,0,0]=3 75 B15R0.366 CCCCCC\C=C\CCCC(=O)OCC Amb24066550 [1,0,1,0,0,0|0,0,2]=4 76 B15R0.366 CCOC(=O)CCCCCCCCCCN Amb33804736 [1,0,1,0,0,0|1,0,0]=3 77 B15R0.322 CCCCCCCCCC(=O)CCCCC Amb22359716 [1,0,1,0,0,0|0,0,0]=2 78 B15R0.133 CCCCCCCC(=O)CCCCCCC Amb4008786 [1,0,1,0,0,0|0,0,0]=2 79 B15R0.133 CCCCCCCC(N)CCCCCCC Amb29838329 [1,0,1,0,0,0|1,0,1]=4 80 B15R0.133 CCCCCCOC(=O)OCCCCCC Amb17666974 [1,0,1,0,0,0|1,0,0]=3 81 B15R0.149 CCCCCCCCC(=O)CCCCCC Amb6366426 [1,0,1,0,0,0|0,0,0]=2 82 B15R0.149 CCCCCCCCC(O)CCCCCC Amb6869644 [1,0,1,0,0,0|0,0,2]=4 83 B15R0.164 C#CCCCCCCCCCCCC(=O)O Amb22642011 [1,0,1,0,0,0|0,0,2]=4 84 B15R0.164 CCCCCCCCCCCCCC(=O)Cl Amb3940239 [1,0,1,0,0,0|1,0,0]=3 85 B15R0.164 CCCCCCCCCCCCCC(=O)O Amb2708780 [1,0,1,0,0,0|0,0,0]=2 86 B15R0.164 CCCCCCCCCCCCCC(N)=O Amb6366249 [1,0,1,0,0,0|1,0,0]=3 87 B15R0.164 CCCCCCCCCCCCNC(N)=O Amb2720910 [1,0,1,0,0,0|2,0,0]=4 88 B15R0.164 CCCCCCCCCCCCOC(=O)Cl Amb22002629 [1,0,1,0,0,0|1,0,0]=3 89 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb20630815 [1,0,1,0,0,0|1,0,0]=3 90 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb22059078 [1,0,1,0,0,0|1,0,0]=3 91 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [1,0,1,0,0,0|1,0,0]=3 92 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [1,0,1,0,0,0|1,0,0]=3 93 B17R0.116 CCCCCCCCCCCOC(=O)CC(C)=O Amb9787153 [0,1,1,0,0,0|0,0,1]=3 94 B17R0.250 CCCCCCCCCCCCCC(=O)OCC Amb8517581 [0,1,1,0,0,0|0,0,0]=2 95 B17R0.250 CCCCCCCCCCCCNC(=O)CNC Amb24115169 [0,1,1,0,0,0|2,0,0]=4 96 B17R0.250 CCOC(=O)CCCCCCCCCCN=[N+]=[N-] Amb34912781 [0,1,1,0,0,0|2,0,0]=4 97 B17R0.285 CCOC(=O)CCCCCCCCC(=O)OCC Amb8515756 [0,1,1,0,0,0|1,0,1]=4 98 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC Amb9787146 [0,1,1,0,0,0|0,0,0]=2 99 B17R0.3196 CCCCOC(=O)CCCCC(=O)OCCCC Amb2793079 [0,1,1,0,0,0|1,0,1]=4 100 B17R0.104 CCCCCCCCC(=O)CCCCCCCC Amb10564689 [0,1,1,0,0,0|1,0,0]=3 101 B17R0.104 CCCCCCCCS(=O)CCCCCCCC Amb8479587 [0,1,1,0,0,0|2,0,0]=4 102 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr Amb22047393 [0,1,1,0,0,0|2,0,0]=4 103 B17R0.195 CCCCCCCCCCCCCCC(=O)OC Amb7092017 [0,1,1,0,0,0|0,0,0]=2 104 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb20622600 [0,1,1,0,0,0|0,0,0]=2 105 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb22157193 [0,1,1,0,0,0|0,0,0]=2 106 B17R0.11645 COC(=O)CCCCCCCCCCC(=O)OC Amb2720753 [0,1,1,0,0,0|1,0,1]=4 107 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC Amb6295881 [0,1,1,0,0,0|0,0,1]=3 108 B17R0.13601 CCCCCCCCCCC[C@@H](O)CC(=O)OC Amb17615621 [0,1,1,0,0,0|0,0,0]=2 109 B17R0.13601 CCCCCCCCCCC[C@H](O)CC(=O)OC Amb17615622 [0,1,1,0,0,0|0,0,0]=2 110 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)Br Amb16234218 [0,1,1,0,0,0|0,0,0]=2 111 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)C Amb30634337 [0,1,1,0,0,0|0,0,0]=2 112 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O Amb22642012 [0,1,1,0,0,0|0,0,1]=3 113 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl Amb8515345 [0,1,1,0,0,0|1,0,0]=3 114 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb2708781 [0,1,1,0,0,0|0,0,0]=2 115 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb32414662 [0,1,1,0,0,0|0,0,0]=2 116 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb34915028 [0,1,1,0,0,0|0,0,0]=2 117 B17R0.43 CCCCCCCCCCCCCCCC(N)=O Amb9787492 [0,1,1,0,0,0|1,0,0]=3 118 B17R0.43 CCCCCCCCCCCCCCOC(C)=O Amb9787312 [0,1,1,0,0,0|0,0,0]=2 119 B17R0.43 CCCCCCCCCCCCOCCC(N)=S Amb13953231 [0,1,1,0,0,0|1,1,0]=4 120 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [0,1,1,0,0,0|0,0,0]=2 121 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O Amb21928725 [0,1,1,0,0,0|0,0,1]=3 122 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [0,1,1,0,0,0|0,0,0]=2 123 B17R0.43 CCCCCCCC\C=C\CCCCCC(=O)O Amb31031047 [0,1,1,0,0,0|0,0,1]=3 124 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O Amb33723687 [0,1,1,0,0,0|0,0,1]=3 125 B17R0.43 CC\C=C/CCCCCCCCCCOC(C)=O Amb9134747 [0,1,1,0,0,0|0,0,1]=3 126 B17R0.43 NCCCCCCCCCCCCCCC(=O)O Amb33624987 [0,1,1,0,0,0|0,0,0]=2 127 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr Amb16231526 [0,1,1,0,0,0|0,0,0]=2 128 B17R0.43 [N-]=[N+]=NCCCCCCCCCCCCC(=O)O Amb34912547 [0,1,1,0,0,0|2,0,0]=4 129 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O Amb22053907 [0,1,1,0,0,0|1,0,0]=3 130 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] Amb6366516 [0,1,1,0,0,0|2,0,0]=4 131 B17R0.1713 C=C(F)CCCCCCCCCCCCC(=O)O Amb22547624 [0,1,1,0,0,0|0,0,2]=4 132 B17R0.1713 CC(=O)CCCCCCCCCCCCC(C)=O Amb10602505 [0,1,1,0,0,0|1,0,1]=4 133 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O Amb8631093 [0,1,1,0,0,0|1,0,1]=4 134 B17R0.117 C=CCCCCCCCCCCCCCCC=C Amb22641571 [0,1,1,0,0,0|2,0,0]=4 135 B17R0.117 CCCCCCCCCCCCCCCCCO Amb8514599 [0,1,1,0,0,0|1,0,1]=4 136 B17R0.117 CCCCCCCCCCCCCCNCCO Amb9787071 [0,1,1,0,0,0|1,0,1]=4 137 B17R0.117 CCCCCCCCCCCCCCOCCO Amb9787186 [0,1,1,0,0,0|0,0,2]=4 138 B17R0.117 OCCCCCCCCCCCCCCCCBr Amb2694730 [0,1,1,0,0,0|1,0,1]=4 139 B17R0.117 OCCCCCCCCCCCCCCCCO Amb21936051 [0,1,1,0,0,0|0,0,2]=4 140 B17R0.117 OCCCCCCCCCCCCCCCCS Amb2447019 [0,1,1,0,0,0|0,1,1]=4 141 B17R1.444 CC1CCCCCCCCCCCCCC1=O Amb22641509 [0,1,0,0,1,0|0,0,0]=2 142 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 Amb6296829 [0,1,0,0,1,0|0,0,0]=2 143 B17R1.1287 NCCCCCNC(=O)CCC1CCCCC1 Amb18620039 [0,0,1,1,0,0|2,0,0]=4 144 B17R1.1292 CCCNCCCOC(=O)CC1CCCCC1 Amb18928623 [0,0,1,1,0,0|1,0,0]=3 145 B17R1.1292 CCCNCCCOC(=O)NC1CCCCC1 Amb18265993 [0,0,1,1,0,0|2,0,0]=4 146 B17R1.6947 CCCCCCCCC(=O)N1CCNCC1C Amb20675176 [0,0,1,1,0,0|2,0,0]=4 147 B17R1.51073 CCCCCCCCC(=O)N1CCCNCC1 Amb20675115 [0,0,1,1,0,0|2,0,0]=4 148 B17R1.11 CCCCCCCCCCC1CCC(=O)CC1 Amb33718614 [0,0,1,1,0,0|1,0,0]=3 149 B17R1.5249 CCCCCCCCCCCCC1CCC1=O Amb8515168 [0,0,1,1,0,0|1,0,0]=3 150 B17R1.23822 COC(=O)[C@@H]1CCCCCCCCCC[C@@H]1N Amb33193013 [0,0,1,1,0,0|1,0,0]=3 151 B17R1.180031 COC(=O)C=C1CCCCCCCCCCC1 Amb33472111 [0,0,1,1,0,0|0,0,2]=4 152 B17R1.180031 O=C(CCl)NC1CCCCCCCCCCC1 Amb3093926 [0,0,1,1,0,0|2,0,0]=4 153 B17R1.16233 O=C(O)COC1CCCCCCCCCCC1 Amb32946021 [0,0,1,1,0,0|1,0,0]=3 154 B17R1.29093 CCCCCCCCCCCCCCC1CO1 Amb22274870 [0,0,1,1,0,0|1,0,1]=4 155 B17R1.5106 CCCCCCC(=O)N1CCCCC1CCO Amb5797948 [0,0,1,1,0,0|2,0,0]=4