0 B16R0.274 C=CCCCCCCCCCCCCC(=O)O Amb22489917 [0,0,0,0,0,0|0,0,2]=2 1 B16R0.274 CCCCCCCCCCCCCOC(C)=O Amb22352318 [0,0,0,0,0,0|2,0,0]=2 2 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb20622364 [0,0,0,0,0,0|1,0,0]=1 3 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb22059079 [0,0,0,0,0,0|1,0,0]=1 4 B16R0.274 CCCCCCCCCCSCCSC(=N)N Amb1085939 [0,0,0,0,0,0|4,0,0]=4 5 B16R0.274 CCCCCCCCCCSCCSC(=N)N Amb22283871 [0,0,0,0,0,0|4,0,0]=4 6 B16R0.274 O=C(O)CCCCCCCCCCCCCO Amb22489916 [0,0,0,0,0,0|1,0,0]=1 7 B16R0.274 O=C(O)CCCCCCCCCCCN=C=S Amb33471294 [0,0,0,0,0,0|2,0,1]=3 8 B16R0.274 O=C=NCCCCCCCCCCCC(=O)O Amb33471301 [0,0,0,0,0,0|2,0,1]=3 9 B16R0.274 [N-]=[N+]=NCCCCCCCCCCCC(=O)O Amb34912551 [0,0,0,0,0,0|3,0,0]=3 10 B15R0.70 BrCCCCCCCCCCCCCCBr Amb17671945 [1,0,0,0,0,0|2,0,1]=4 11 B15R0.70 C#CCCCCCCCCCCCCCO Amb22002151 [1,0,0,0,0,0|0,0,3]=4 12 B15R0.70 C=CCCCCCCCCCCCCC=C Amb22347877 [1,0,0,0,0,0|1,0,2]=4 13 B15R0.70 CCCCCCCCCCCCCCCBr Amb8516462 [1,0,0,0,0,0|1,0,1]=3 14 B15R0.70 CCCCCCCCCCCCCCCC Amb8513181 [1,0,0,0,0,0|1,0,1]=3 15 B15R0.70 CCCCCCCCCCCCCCCI Amb28990876 [1,0,0,0,0,0|1,0,1]=3 16 B15R0.70 CCCCCCCCCCCCCCCO Amb8513284 [1,0,0,0,0,0|0,0,1]=2 17 B15R0.70 CCCCCCCCCCCCCNCC Amb32410618 [1,0,0,0,0,0|2,0,1]=4 18 B15R0.70 CCCCCCCCCCCCNCCO Amb9787054 [1,0,0,0,0,0|1,0,1]=3 19 B15R0.70 CCCCCCCCCCCCOCCO Amb9787185 [1,0,0,0,0,0|1,0,1]=3 20 B15R0.70 CCCCCCCCCCCCSCCO Amb1085984 [1,0,0,0,0,0|1,0,1]=3 21 B15R0.70 CCCCCCCCCCCNCCCO Amb9786065 [1,0,0,0,0,0|1,0,1]=3 22 B15R0.70 CCCCCCCCCCOCCCCO Amb2099477 [1,0,0,0,0,0|1,0,1]=3 23 B15R0.70 CCCCCCCCCNCCCCCC Amb17308746 [1,0,0,0,0,0|2,0,1]=4 24 B15R0.70 CCCCCCCCNCCCCCCC Amb20077794 [1,0,0,0,0,0|2,0,1]=4 25 B15R0.70 CNCCCCCCCCCCCCNC Amb10070079 [1,0,0,0,0,0|3,0,0]=4 26 B15R0.70 OCCCCCCCCCCCCCCBr Amb2694731 [1,0,0,0,0,0|1,0,1]=3 27 B15R0.70 OCCCCCCCCCCCCCCO Amb2695005 [1,0,0,0,0,0|1,0,1]=3 28 B15R0.164 C#CCCCCCCCCCCCC(=O)O Amb22642011 [1,0,0,0,0,0|0,0,2]=3 29 B15R0.164 CCCCCCCCCCCCCC(=O)Cl Amb3940239 [1,0,0,0,0,0|1,0,0]=2 30 B15R0.164 CCCCCCCCCCCCCC(=O)O Amb2708780 [1,0,0,0,0,0|0,0,0]=1 31 B15R0.164 CCCCCCCCCCCCCC(N)=O Amb6366249 [1,0,0,0,0,0|1,0,0]=2 32 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22168111 [1,0,0,0,0,0|3,0,0]=4 33 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22523280 [1,0,0,0,0,0|3,0,0]=4 34 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22729789 [1,0,0,0,0,0|3,0,0]=4 35 B15R0.164 CCCCCCCCCCCCNC(N)=O Amb2720910 [1,0,0,0,0,0|2,0,0]=3 36 B15R0.164 CCCCCCCCCCCCOC(=O)Cl Amb22002629 [1,0,0,0,0,0|2,0,0]=3 37 B15R0.164 CCCCCCCCCCCCSC(=N)N Amb10669535 [1,0,0,0,0,0|3,0,0]=4 38 B15R0.164 CCCCCCCCCCCCSC(=N)N Amb9176340 [1,0,0,0,0,0|3,0,0]=4 39 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb20630815 [1,0,0,0,0,0|1,0,0]=2 40 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb22059078 [1,0,0,0,0,0|1,0,0]=2 41 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [1,0,0,0,0,0|1,0,0]=2 42 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [1,0,0,0,0,0|1,0,0]=2 43 B15R0.164 O=C(O)CCCCCCCCCCN=C=S Amb33471536 [1,0,0,0,0,0|2,0,1]=4 44 B15R0.164 O=C=NCCCCCCCCCCC(=O)O Amb33471308 [1,0,0,0,0,0|2,0,1]=4 45 B15R0.164 [N-]=[N+]=NCCCCCCCCCCC(=O)O Amb33512718 [1,0,0,0,0,0|3,0,0]=4 46 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O Amb22642012 [0,1,0,0,0,0|0,0,1]=2 47 B17R0.43 CC(C)CCCCCCCCCCCCCCO Amb33716444 [0,1,0,0,0,0|2,0,1]=4 48 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl Amb8515345 [0,1,0,0,0,0|1,0,0]=2 49 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb2708781 [0,1,0,0,0,0|0,0,0]=1 50 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb32414662 [0,1,0,0,0,0|0,0,0]=1 51 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb34915028 [0,1,0,0,0,0|0,0,0]=1 52 B17R0.43 CCCCCCCCCCCCCCCC(N)=O Amb9787492 [0,1,0,0,0,0|1,0,0]=2 53 B17R0.43 CCCCCCCCCCCCCCCN(C)C Amb33840036 [0,1,0,0,0,0|3,0,0]=4 54 B17R0.43 CCCCCCCCCCCCCCOC(C)=O Amb9787312 [0,1,0,0,0,0|1,0,0]=2 55 B17R0.43 CCCCCCCCCCCCOCCC(N)=S Amb13953231 [0,1,0,0,0,0|1,1,0]=3 56 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [0,1,0,0,0,0|0,0,0]=1 57 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O Amb21928725 [0,1,0,0,0,0|0,0,1]=2 58 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [0,1,0,0,0,0|0,0,0]=1 59 B17R0.43 CCCCCCCC\C=C\CCCCCC(=O)O Amb31031047 [0,1,0,0,0,0|0,0,1]=2 60 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O Amb33723687 [0,1,0,0,0,0|0,0,1]=2 61 B17R0.43 CC\C=C/CCCCCCCCCCOC(C)=O Amb9134747 [0,1,0,0,0,0|1,0,2]=4 62 B17R0.43 NCCCCCCCCCCCCCCC(=O)O Amb33624987 [0,1,0,0,0,0|0,0,0]=1 63 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr Amb16231526 [0,1,0,0,0,0|0,0,0]=1 64 B17R0.43 [N-]=[N+]=NCCCCCCCCCCCCC(=O)O Amb34912547 [0,1,0,0,0,0|2,0,0]=3 65 B17R0.116 CCCCCCCCCCCOC(=O)CC(C)=O Amb9787153 [0,1,0,0,0,0|2,0,1]=4 66 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[O-] Amb9791330 [0,1,0,0,0,0|1,0,2]=4 67 B17R0.192 NCCCCCCCCCCC(=O)NCC(=O)O Amb17146097 [0,1,0,0,0,0|2,0,1]=4 68 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr Amb22047393 [0,1,0,0,0,0|1,0,0]=2 69 B17R0.195 CCCCCCCCCCCCCCC(=O)OC Amb7092017 [0,1,0,0,0,0|0,0,0]=1 70 B17R0.195 CCCCCCCCCCCCCCC(O)CO Amb17940830 [0,1,0,0,0,0|0,0,2]=3 71 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb20622600 [0,1,0,0,0,0|1,0,0]=2 72 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb22157193 [0,1,0,0,0,0|1,0,0]=2 73 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O Amb22053907 [0,1,0,0,0,0|1,0,0]=2 74 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C Amb8383486 [0,1,0,0,0,0|3,0,0]=4 75 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C Amb8384021 [0,1,0,0,0,0|3,0,0]=4 76 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] Amb6366516 [0,1,0,0,0,0|2,0,1]=4 77 B17R0.1713 C=C(F)CCCCCCCCCCCCC(=O)O Amb22547624 [0,1,0,0,0,0|0,0,2]=3 78 B17R0.1713 CC(=O)CCCCCCCCCCCCC(C)=O Amb10602505 [0,1,0,0,0,0|1,0,1]=3 79 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O Amb8631093 [0,1,0,0,0,0|1,0,1]=3 80 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 Amb6296829 [0,0,0,1,0,0|1,0,0]=2 81 B17R1.11298 O=C1CCCCCCCCCCCCCCC1 Amb23453288 [0,0,0,1,0,0|1,0,0]=2 82 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 Amb536728 [0,0,0,1,0,0|0,0,0]=1 83 B17R1.16233 C=C(C)COC1CCCCCCCCCCC1 Amb22641510 [0,0,0,1,0,0|3,0,0]=4 84 B17R1.16233 O=C(O)COC1CCCCCCCCCCC1 Amb32946021 [0,0,0,1,0,0|1,0,0]=2 85 B17R1.29093 CCCCCCCCCCCCCCC1CO1 Amb22274870 [0,0,0,1,0,0|1,0,1]=3 86 B14R0.392 C=CCCCCCCCCCCCCBr Amb31031236 [2,0,0,0,0,0|1,0,1]=4 87 B14R0.392 C=CCCCCCCCCCCCCC Amb6336502 [2,0,0,0,0,0|0,0,1]=3 88 B14R0.392 CCCCCCCCCCCCCC#N Amb4008531 [2,0,0,0,0,0|1,0,1]=4 89 B14R0.392 CCCCCCCCCCCCCC=O Amb3940435 [2,0,0,0,0,0|0,0,0]=2 90 B14R0.392 CCCCCCCCCCCCCCBr Amb8513855 [2,0,0,0,0,0|1,0,0]=3 91 B14R0.392 CCCCCCCCCCCCCCCl Amb8384591 [2,0,0,0,0,0|1,0,0]=3 92 B14R0.392 CCCCCCCCCCCCCCF Amb10840999 [2,0,0,0,0,0|1,0,0]=3 93 B14R0.392 CCCCCCCCCCCCCCO Amb3940391 [2,0,0,0,0,0|0,0,0]=2 94 B14R0.392 CCCCCCCCCCCCCNC Amb10241352 [2,0,0,0,0,0|1,0,1]=4 95 B14R0.392 CCCCCCCCCCCCC[NH2+]C Amb9787093 [2,0,0,0,0,0|1,0,1]=4 96 B14R0.392 CCCCCCCCCCCCN=C=O Amb20671279 [2,0,0,0,0,0|1,0,1]=4 97 B14R0.392 CCCCCCCCCCCCSCC Amb4008818 [2,0,0,0,0,0|1,0,1]=4 98 B14R0.392 CCCCCCCCCCCNCCC Amb9787065 [2,0,0,0,0,0|1,0,1]=4 99 B14R0.392 CCCCCCCCCCCOCCO Amb9787691 [2,0,0,0,0,0|1,0,0]=3 100 B14R0.392 CCCCCCCCCCC[NH2+]CCC Amb9787083 [2,0,0,0,0,0|1,0,1]=4 101 B14R0.392 CCCCCCCCCNCCCCC Amb7761764 [2,0,0,0,0,0|1,0,1]=4 102 B14R0.392 CCCCCCCCC[NH2+]CCCCC Amb9787092 [2,0,0,0,0,0|1,0,1]=4 103 B14R0.392 CCCCCCCCNCCCCCC Amb7757641 [2,0,0,0,0,0|1,0,1]=4 104 B14R0.392 CCCCCCCCNCCOCCO Amb7757673 [2,0,0,0,0,0|2,0,0]=4 105 B14R0.392 CCCCCCCCOCCOCCO Amb8513230 [2,0,0,0,0,0|2,0,0]=4 106 B14R0.392 CCCCCCCNCCCCCCC Amb495299 [2,0,0,0,0,0|1,0,1]=4 107 B14R0.392 CCCCCCCNCCCCCCC Amb839439 [2,0,0,0,0,0|1,0,1]=4 108 B14R0.392 CCCCCCCOCCCCCCC Amb4008530 [2,0,0,0,0,0|1,0,1]=4 109 B14R0.392 CCCCCCCSCCCCCCC Amb9787168 [2,0,0,0,0,0|1,0,1]=4 110 B14R0.392 CCCC\C=C/CCCCCCCCO Amb24053303 [2,0,0,0,0,0|0,0,2]=4 111 B14R0.392 CC\C=C/CCCCCCCCCCO Amb33756791 [2,0,0,0,0,0|0,0,2]=4 112 B14R0.392 CC\C=C\CCCCCCCCCC=O Amb2721580 [2,0,0,0,0,0|0,0,2]=4 113 B14R0.392 CC\C=C\CCCCCCCCCCO Amb539676 [2,0,0,0,0,0|0,0,2]=4 114 B14R0.392 OCCCCCCCCCCCCCBr Amb534144 [2,0,0,0,0,0|1,0,0]=3 115 B14R0.392 OCCCCCCCCCCCCCO Amb10603348 [2,0,0,0,0,0|1,0,0]=3 116 B14R0.394 C#CCCCCCCCCCCC(=O)O Amb1396957 [2,0,0,0,0,0|0,0,2]=4 117 B14R0.394 C=CCCCCCCCCCCC(=O)O Amb6297458 [2,0,0,0,0,0|0,0,2]=4 118 B14R0.394 CCCCCCCCCCCCB(O)O Amb13890365 [2,0,0,0,0,0|1,0,1]=4 119 B14R0.394 CCCCCCCCCCCCC(=O)O Amb8513363 [2,0,0,0,0,0|0,0,0]=2 120 B14R0.394 CCCCCCCCCCCCC(C)=O Amb22730728 [2,0,0,0,0,0|1,0,0]=3 121 B14R0.394 CCCCCCCCCCCCC(C)O Amb8513348 [2,0,0,0,0,0|1,0,1]=4 122 B14R0.394 CCCCCCCCCCCOC(C)=O Amb6366704 [2,0,0,0,0,0|2,0,0]=4 123 B14R0.394 N#CCCCCCCCCCCC(=O)O Amb4014736 [2,0,0,0,0,0|1,0,1]=4 124 B14R0.394 NCCCCCCCCCCCC(=O)O Amb3940462 [2,0,0,0,0,0|1,0,0]=3 125 B14R0.394 O=C(O)CCCCCCCCCCCBr Amb3940328 [2,0,0,0,0,0|1,0,0]=3 126 B14R0.394 O=C(O)CCCCCCCCCCCO Amb3940329 [2,0,0,0,0,0|1,0,0]=3 127 B16R0.221 CCCCCCCCCCCCCC(O)CC Amb22234780 [1,1,0,0,0,0|1,0,1]=4 128 B16R0.303 C=CCCCCCCCCCCCCCC=C Amb22641570 [1,1,0,0,0,0|1,0,1]=4 129 B16R0.303 CCCCCCCCC#CCCCCCCO Amb2721481 [1,1,0,0,0,0|0,0,2]=4 130 B16R0.303 CCCCCCCCCCCCCCCC#N Amb33921986 [1,1,0,0,0,0|1,0,1]=4 131 B16R0.303 CCCCCCCCCCCCCCCC=O Amb6600126 [1,1,0,0,0,0|0,0,0]=2 132 B16R0.303 CCCCCCCCCCCCCCCCBr Amb6366441 [1,1,0,0,0,0|1,0,1]=4 133 B16R0.303 CCCCCCCCCCCCCCCCCl Amb8514668 [1,1,0,0,0,0|1,0,1]=4 134 B16R0.303 CCCCCCCCCCCCCCCCN Amb751923 [1,1,0,0,0,0|1,0,1]=4 135 B16R0.303 CCCCCCCCCCCCCCCCO Amb6354576 [1,1,0,0,0,0|0,0,1]=3 136 B16R0.303 CCCCCCCCCCCCCCCCS Amb8513184 [1,1,0,0,0,0|0,1,1]=4 137 B16R0.303 CCCCCCCCCCCCCCN=C=O Amb10070640 [1,1,0,0,0,0|0,0,1]=3 138 B16R0.303 CCCCCCCCCCCCCCN=C=S Amb19883892 [1,1,0,0,0,0|0,1,1]=4 139 B16R0.303 CCCCCCCCCCCCNCCC#N Amb2687700 [1,1,0,0,0,0|1,0,1]=4 140 B16R0.303 CCCCCCCCCCCCNCCCN Amb16234107 [1,1,0,0,0,0|1,0,1]=4 141 B16R0.303 CCCCCCCCCCCCOCCC#N Amb9787157 [1,1,0,0,0,0|1,0,1]=4 142 B16R0.303 CCCCCCCCCCCCOCCCN Amb2780371 [1,1,0,0,0,0|1,0,1]=4 143 B16R0.303 CCCCCCCCNCCCCCCCC Amb8513151 [1,1,0,0,0,0|1,0,1]=4 144 B16R0.303 CCCCCCCCOCCCCCCCC Amb9787158 [1,1,0,0,0,0|1,0,1]=4 145 B16R0.303 CCCCCCCCSCCCCCCCC Amb9787326 [1,1,0,0,0,0|1,0,1]=4 146 B16R0.303 CCCC\C=C/CCCCCCCCCC=O Amb10807576 [1,1,0,0,0,0|0,0,1]=3 147 B16R0.303 CCCC\C=C\CCCCCCCCCC=O Amb9134745 [1,1,0,0,0,0|0,0,1]=3 148 B16R0.303 OCCCCCCCCCCCCCCCBr Amb1818124 [1,1,0,0,0,0|0,0,1]=3 149 B16R0.6603 CCCCCCCCCC(O)CCCCCC Amb31030996 [1,1,0,0,0,0|1,0,1]=4 150 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O Amb13887306 [1,1,0,0,0,0|1,0,1]=4 151 B16R0.165 O=C(O)CCCCCCCCCCC(F)CBr Amb22547636 [1,1,0,0,0,0|1,0,0]=3 152 B16R0.177 CCCCCCC(=O)NCCCCCC(=O)O Amb2612837 [1,1,0,0,0,0|1,0,1]=4 153 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O Amb17939323 [1,1,0,0,0,0|0,0,0]=2 154 B16R0.224 CCCCCCCCCCCCC(N)C(=O)O Amb34912725 [1,1,0,0,0,0|0,0,0]=2 155 B16R0.224 CCCCCCCCCCCC[C@@H](N)C(=O)O Amb34912481 [1,1,0,0,0,0|0,0,0]=2 156 B16R0.224 CCCCCCCCCCCC[C@H](N)C(=O)O Amb34913958 [1,1,0,0,0,0|0,0,0]=2 157 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb22337025 [1,1,0,0,0,0|2,0,0]=4 158 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb22348217 [1,1,0,0,0,0|2,0,0]=4 159 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb34916643 [1,1,0,0,0,0|2,0,0]=4 160 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O Amb33756850 [1,1,0,0,0,0|1,0,1]=4 161 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O Amb1786144 [1,1,0,0,0,0|1,0,1]=4 162 B18R0.94 CCCCCCCCC(=O)NCCCCCC(=O)O Amb8863149 [0,2,0,0,0,0|0,0,1]=3 163 B18R0.114 COC(=O)CCCCCCCCCCCCC(=O)O Amb32411149 [0,2,0,0,0,0|0,0,1]=3 164 B18R0.114 O=C(O)CCCCCCCCCCCCC(F)CBr Amb22547627 [0,2,0,0,0,0|0,0,0]=2 165 B18R0.171 C=CC(=O)OCCCCCCCCCCCCCC Amb24325453 [0,2,0,0,0,0|1,0,0]=3 166 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN Amb6366503 [0,2,0,0,0,0|1,0,0]=3 167 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC Amb4380184 [0,2,0,0,0,0|0,0,0]=2 168 B18R0.171 CCCCCC\C=C/CCCCCCCC(=O)OC Amb22263078 [0,2,0,0,0,0|0,0,1]=3 169 B18R0.171 NNC(=O)CCCCCCCCCCCCCCO Amb1778664 [0,2,0,0,0,0|1,0,0]=3 170 B18R0.174 CCCCCCCCCCCCCCC(Br)C(=O)O Amb17836476 [0,2,0,0,0,0|0,0,0]=2 171 B18R0.174 CCCCCCCCCCCCCCC(N)C(=O)O Amb21520308 [0,2,0,0,0,0|0,0,0]=2 172 B18R0.174 CCCCCCCCCCCCCCC(O)C(=O)O Amb6366330 [0,2,0,0,0,0|0,0,0]=2 173 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl Amb20672053 [0,2,0,0,0,0|1,0,0]=3 174 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O Amb8515709 [0,2,0,0,0,0|0,0,0]=2 175 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] Amb22728751 [0,2,0,0,0,0|0,0,1]=3 176 B18R0.176 CCCCCCCCCCCCCCCNC(C)=O Amb31031069 [0,2,0,0,0,0|1,0,0]=3 177 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O Amb8390847 [0,2,0,0,0,0|0,0,0]=2 178 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr Amb9788803 [0,2,0,0,0,0|0,0,0]=2 179 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO Amb2701869 [0,2,0,0,0,0|0,0,0]=2 180 B18R0.176 [N-]=[N+]=NCCCCCCCCCCCCCC(=O)O Amb34912545 [0,2,0,0,0,0|1,0,0]=3 181 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] Amb8516799 [0,2,0,0,0,0|1,0,1]=4 182 B18R0.220 CCCCCCCCCCCCCC(O)CC(=O)O Amb21928751 [0,2,0,0,0,0|0,0,0]=2 183 B18R0.220 CCCCCCCCCCCCOC(=O)CC(C)=O Amb9787154 [0,2,0,0,0,0|1,0,1]=4 184 B18R0.974 O=C(O)CCCCCCCCCCCCCC(=O)O Amb10807608 [0,2,0,0,0,0|0,0,1]=3 185 B18R0.7250 NCCCCCCC(=O)NCCCCCCC(=O)O Amb20668422 [0,2,0,0,0,0|1,0,1]=4 186 B18R0.7250 NCCCCCCC(=O)NCCCCCCC(=O)O Amb22058895 [0,2,0,0,0,0|1,0,1]=4 187 B18R0.19183 CCCCCCCCCCCCS(=O)CCC(=O)O Amb1085922 [0,2,0,0,0,0|0,0,0]=2 188 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(=O)O Amb3940621 [0,2,0,0,0,0|1,0,1]=4 189 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)O Amb9677419 [0,2,0,0,0,0|1,0,0]=3 190 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] Amb9677418 [0,2,0,0,0,0|1,0,1]=4 191 B18R0.186 CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O Amb8630317 [0,2,0,0,0,0|1,0,1]=4 192 B16R1.310 CCS[C@@H]1CCCCCCCCCC[C@H]1O Amb32406117 [1,0,0,1,0,0|1,0,1]=4 193 B16R1.643 CCCCCCCCCCC1CCCCC1 Amb22733703 [1,0,0,1,0,0|1,0,1]=4 194 B16R1.662 CCCCCCCCN1CCCCCC1=O Amb17844182 [1,0,0,1,0,0|1,0,0]=3 195 B16R1.8816 FC1=CCCCCCCCCCCCCC1 Amb22641508 [1,0,0,1,0,0|1,0,1]=4 196 B16R1.8816 O=C1CCCCCCCCCCCCCC1 Amb6357375 [1,0,0,1,0,0|0,0,0]=2 197 B16R1.8816 O=C1CCCCCCCCCCOCCO1 Amb533453 [1,0,0,1,0,0|2,0,0]=4 198 B16R1.8816 OC1CCCCCCCCCCCCCC1 Amb6357514 [1,0,0,1,0,0|0,0,1]=3 199 B16R1.17455 CCCCCCCCCCCCCC1CO1 Amb32665438 [1,0,0,1,0,0|0,0,1]=3 200 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 Amb10807863 [1,0,0,1,0,0|0,0,0]=2 201 B16R1.290 CC1CCCCN1CCCNCCC(=O)O Amb7766494 [1,0,0,1,0,0|2,0,0]=4 202 B16R1.18095 O=C(O)CCNCCCN1CCCCCC1 Amb20573169 [1,0,0,1,0,0|2,0,0]=4 203 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 Amb1033013 [1,0,0,1,0,0|1,0,0]=3 204 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 Amb533440 [0,1,0,1,0,0|0,0,0]=2 205 B18R1.20697 O=C(O)CCCCCCCCCCC1CCCO1 Amb533210 [0,1,0,1,0,0|0,0,0]=2 206 B18R1.10573 CCCCCCCC(=O)N1CCCCC1C(=O)O Amb7786392 [0,1,0,1,0,0|1,0,1]=4 207 B18R1.10573 CCCCCCNC(=O)C1CCCCC1C(=O)O Amb6559102 [0,1,0,1,0,0|1,0,1]=4 208 B18R2.122014 CCCCCCCCCCC1OC(=O)[C@@H]2O[C@H]12 Amb28463543 [0,0,0,2,0,0|1,0,0]=3 209 B18R2.556536 O=C(O)CCSC[C@@H]1CCCN2CCCCC12 Amb29838020 [0,0,0,2,0,0|2,0,0]=4 210 B18R2.556536 O=C(O)CCSC[C@@H]1CCCN2CCCC[C@H]12 Amb28520710 [0,0,0,2,0,0|2,0,0]=4 211 B18R2.7138 O=C(O)C1CCCCN1CCN2CCCCC2 Amb9299652 [0,0,0,2,0,0|2,0,0]=4 212 B18R2.39428 FC12CCCCCCCCCCCCCC1O2 Amb22547626 [0,0,0,2,0,0|1,0,1]=4