0 B9R0.55 C=C(Br)CCCCC(N)=O Amb27449194 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.55 C=C(C)CCCCC(C)O Amb27590791 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.55 C=C(C)CCNCC(N)=O Amb27615175 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.55 C=C(C)CCOCC(C)=O Amb28318908 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.55 C=C(C)CCOCC(N)=O Amb28282201 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.55 C=C(C)CCSCC(C)=O Amb27469207 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.55 C=C(C)CC\C=C\C(=O)O Amb27253611 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.55 C=C(C)CONCC(=O)O Amb27969663 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.55 C=C(Cl)CNCCC(=O)O Amb9326413 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.55 C=C(F)CCCOC(C)=O Amb22641472 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.55 CC(=O)CCCC=C(C)C Amb28053965 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [0,0,0,0,0,0|1,0,0]=1 14 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.55 CC(=O)CCCCC(C)O Amb27838002 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.55 CC(=O)CCCCC(Cl)Cl Amb27392324 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.55 CC(=O)CCCCN(C)C Amb9659130 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.55 CC(=O)CCCCS(C)=O Amb27412643 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.55 CC(=O)CCCNS(C)=O Amb27774835 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.55 CC(=O)CSCCC(N)=S Amb17503258 [0,0,0,0,0,0|3,1,0]=4 27 B9R0.55 CC(=O)NCCCC(=N)N Amb27461138 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.55 CC(=O)NCCCC(C)O Amb28076577 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.55 CC(=O)NCCCS(C)=O Amb27786571 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.55 CC(=O)NCCNC(C)=O Amb2522644 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.55 CC(=O)NCCOC(C)=O Amb2781669 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.55 CC(=O)NC\C=C\C(=O)O Amb27259093 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [0,0,0,0,0,0|3,0,0]=3 35 B9R0.55 CC(=O)OCC#CC(=O)O Amb28411497 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [0,0,0,0,0,0|2,0,0]=2 37 B9R0.55 CC(=O)OCCCS(=O)Cl Amb32720405 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.55 CC(=O)OCCCS(=O)[O-] Amb32754824 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.55 CC(=O)OCCCS(N)=O Amb32720406 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.55 CC(=O)OCCC[C@@H](C)O Amb27775430 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.55 CC(=O)OCCOC(C)=O Amb8513772 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.55 CC(=O)OCCOC(N)=O Amb27168669 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.55 CC(=O)OC\C=C\C(=O)O Amb24454652 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [0,0,0,0,0,0|2,0,0]=2 45 B9R0.55 CC(Br)COCCC(=O)O Amb28255646 [0,0,0,0,0,0|3,0,1]=4 46 B9R0.55 CC(C)=CCCCC(N)=O Amb27390535 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.55 CC(C)=CCOCC(=O)O Amb18644115 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.55 CC(C)=NOCCC(=O)O Amb27596064 [0,0,0,0,0,0|4,0,0]=4 49 B9R0.55 CC(C)CCCCC(=O)Cl Amb25067489 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.55 CC(C)CCCCC(=O)O Amb10576144 [0,0,0,0,0,0|2,0,1]=3 51 B9R0.55 CC(C)CCCCC(N)=O Amb2613088 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.55 CC(C)CCNCC(=O)O Amb1111021 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.55 CC(C)CCOCC(=O)O Amb6268007 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.55 CC(C)CCSCC(=O)O Amb1137397 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.55 CC(C)CNCCC(=O)O Amb10609230 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.55 CC(C)CNCCC(=O)O Amb2372367 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.55 CC(C)COCCC(=O)O Amb6280020 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.55 CC(C)CSCCC(=O)O Amb6278798 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.55 CC(C)NCCCC(=O)O Amb1111231 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.55 CC(C)NCCCC(=O)O Amb528115 [0,0,0,0,0,0|3,0,1]=4 61 B9R0.55 CC(C)OCCCC(=O)O Amb6274334 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.55 CC(C)SCCCC(=O)O Amb17503621 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.55 CC(F)CCOCC(=O)O Amb27613091 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.55 CC(F)CCSCC(=O)O Amb27777659 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.55 CC(N)CCCCC(=O)O Amb18644199 [0,0,0,0,0,0|2,0,1]=3 66 B9R0.55 CC(N)CCCCC(=O)O Amb19515386 [0,0,0,0,0,0|2,0,1]=3 67 B9R0.55 CC(N)CCCCC(N)=O Amb19515544 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.55 CC(N)CCSCC(=O)O Amb27436369 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.55 CC(O)CCCCC(C)O Amb27839243 [0,0,0,0,0,0|2,0,2]=4 70 B9R0.55 CC(O)CCCCS(C)=O Amb28197304 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.55 CC(O)CSCCC(=O)O Amb18792572 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.55 CC(O)CSCCC(N)=O Amb27976132 [0,0,0,0,0,0|3,0,1]=4 73 B9R0.55 CC(O)\C=C\CCC(=O)O Amb24453133 [0,0,0,0,0,0|1,0,3]=4 74 B9R0.55 CN(C)CCCCC(=O)O Amb19275569 [0,0,0,0,0,0|3,0,0]=3 75 B9R0.55 CN(C)CCCCC(=O)O Amb7783201 [0,0,0,0,0,0|3,0,0]=3 76 B9R0.55 CN(C)CCNCC(=O)O Amb31292878 [0,0,0,0,0,0|4,0,0]=4 77 B9R0.55 CN(C)CCOCC(=O)O Amb20667765 [0,0,0,0,0,0|4,0,0]=4 78 B9R0.55 CN(C)CCOCC(=O)O Amb22059502 [0,0,0,0,0,0|4,0,0]=4 79 B9R0.55 CN(C)CCSCC(=O)O Amb1138164 [0,0,0,0,0,0|4,0,0]=4 80 B9R0.55 CN(C)CCSCC(=O)O Amb33329916 [0,0,0,0,0,0|4,0,0]=4 81 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [0,0,0,0,0,0|2,0,0]=2 82 B9R0.55 CS(=O)CCNCC(N)=O Amb28140353 [0,0,0,0,0,0|4,0,0]=4 83 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [0,0,0,0,0,0|3,0,0]=3 84 B9R0.55 C[C@@H](N)CCCCC(=O)O Amb25877255 [0,0,0,0,0,0|2,0,1]=3 85 B9R0.55 C[C@@H](O)CSCCC(N)=O Amb27795743 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.55 C[C@H](O)CNCCC(N)=O Amb27464472 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.55 C[C@H](O)CSCCC(N)=O Amb28195669 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [0,0,0,0,0,0|2,0,1]=3 89 B9R0.55 C\C(Cl)=C/CSCC(=O)O Amb27865640 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.55 N=C(N)CCCCC(=N)N Amb2695945 [0,0,0,0,0,0|4,0,0]=4 91 B9R0.55 N=C(N)CSCCC(N)=O Amb27469951 [0,0,0,0,0,0|4,0,0]=4 92 B9R0.55 N=C(N)NCCCC(=O)O Amb9813713 [0,0,0,0,0,0|3,0,0]=3 93 B9R0.55 N=C(N)NCCCC(N)=O Amb24477974 [0,0,0,0,0,0|4,0,0]=4 94 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [0,0,0,0,0,0|1,0,0]=1 95 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [0,0,0,0,0,0|2,0,0]=2 96 B9R0.55 NC(=O)CNOCC(N)=O Amb27194913 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.55 NC(=O)CONCC(=O)O Amb27215866 [0,0,0,0,0,0|3,0,0]=3 98 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [0,0,0,0,0,0|2,0,0]=2 99 B9R0.55 NC(=O)NCCCB(O)O Amb28198903 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [0,0,0,0,0,0|2,0,0]=2 101 B9R0.55 NC(=O)NCCNC(N)=O Amb1146040 [0,0,0,0,0,0|4,0,0]=4 102 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [0,0,0,0,0,0|3,0,0]=3 103 B9R0.55 NC(=O)NC\C=C\C(=O)O Amb27817537 [0,0,0,0,0,0|2,0,2]=4 104 B9R0.55 NC(=O)N\N=C\CC(=O)O Amb28366218 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.55 NC(=S)NCCCC(=O)O Amb27649643 [0,0,0,0,0,0|2,1,0]=3 106 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [0,0,0,0,0,0|2,0,0]=2 107 B9R0.55 O=C(Cl)C\C=C\CC(=O)Cl Amb27641016 [0,0,0,0,0,0|2,0,2]=4 108 B9R0.55 O=C(Cl)OCCOC(=O)Cl Amb22337529 [0,0,0,0,0,0|4,0,0]=4 109 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [0,0,0,0,0,0|0,0,2]=2 110 B9R0.55 O=C(O)CCCC=C(F)F Amb27831187 [0,0,0,0,0,0|2,0,1]=3 111 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [0,0,0,0,0,0|1,0,0]=1 112 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [0,0,0,0,0,0|0,0,0]=0 113 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [0,0,0,0,0,0|0,0,0]=0 114 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [0,0,0,0,0,0|0,0,0]=0 115 B9R0.55 O=C(O)CCCCC(O)O Amb28143854 [0,0,0,0,0,0|0,0,2]=2 116 B9R0.55 O=C(O)CCCCN(F)F Amb27985922 [0,0,0,0,0,0|3,0,0]=3 117 B9R0.55 O=C(O)CCCOC(F)F Amb27861059 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [0,0,0,0,0,0|1,0,0]=1 119 B9R0.55 O=C(O)CCOCC(F)F Amb26539468 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [0,0,0,0,0,0|2,0,0]=2 121 B9R0.55 O=C(O)COCCC(F)F Amb27848670 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [0,0,0,0,0,0|2,0,0]=2 123 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [0,0,0,0,0,0|0,0,2]=2 124 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [0,0,0,0,0,0|2,0,0]=2 125 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [0,0,0,0,0,0|2,0,0]=2 126 B9R0.55 O=C(O)\C=C/C=C\C(=O)O Amb8515202 [0,0,0,0,0,0|0,0,4]=4 127 B9R0.55 O=C(O)\C=C\C=C\C(=O)O Amb31285477 [0,0,0,0,0,0|0,0,4]=4 128 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [0,0,0,0,0,0|0,0,2]=2 129 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [0,0,0,0,0,0|1,0,2]=3 130 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [0,0,0,0,0,0|0,0,2]=2 131 B9R0.55 O=[N+]([O-])CCCC[N+](=O)[O-] Amb4036546 [0,0,0,0,0,0|2,0,2]=4 132 B8R0.7 C#CCCCCC(=O)Cl Amb28312904 [1,0,0,0,0,0|2,0,1]=4 133 B8R0.7 C#CCCCCC(=O)O Amb2721485 [1,0,0,0,0,0|1,0,1]=3 134 B8R0.7 C#CCCOCC(=O)O Amb28118359 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.7 C#CCOCCC(=O)O Amb9208654 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.7 C=C(Br)CCCCC=O Amb28200066 [1,0,0,0,0,0|2,0,0]=3 137 B8R0.7 C=C(C)CCCCC=O Amb27750320 [1,0,0,0,0,0|2,0,0]=3 138 B8R0.7 C=C(C)CCCCCO Amb27641867 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.7 C=CC#CCCC(=O)O Amb28422492 [1,0,0,0,0,0|1,0,2]=4 140 B8R0.7 C=CCCC#CC(=O)O Amb28201250 [1,0,0,0,0,0|1,0,2]=4 141 B8R0.7 C=CCCCCB(O)O Amb20171333 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.7 C=CCCCCC(=O)O Amb6299578 [1,0,0,0,0,0|1,0,0]=2 143 B8R0.7 C=CCCCCC(C)=O Amb24546961 [1,0,0,0,0,0|2,0,0]=3 144 B8R0.7 C=CCCCCC(N)=O Amb27236725 [1,0,0,0,0,0|2,0,0]=3 145 B8R0.7 C=CCCCCC(N)=S Amb27950014 [1,0,0,0,0,0|2,1,0]=4 146 B8R0.7 C=CCCCCN(C)O Amb27626977 [1,0,0,0,0,0|3,0,0]=4 147 B8R0.7 C=CCCCC[N+](=O)[O-] Amb9825999 [1,0,0,0,0,0|2,0,1]=4 148 B8R0.7 C=CCCCOC(C)=O Amb6366589 [1,0,0,0,0,0|3,0,0]=4 149 B8R0.7 C=CCCNCC(N)=O Amb33545653 [1,0,0,0,0,0|3,0,0]=4 150 B8R0.7 C=CCCOCC(=O)O Amb7793843 [1,0,0,0,0,0|2,0,0]=3 151 B8R0.7 C=CCCOCC(C)=O Amb27465238 [1,0,0,0,0,0|3,0,0]=4 152 B8R0.7 C=CCCSCC(=O)O Amb27810806 [1,0,0,0,0,0|2,0,0]=3 153 B8R0.7 C=CCC\C=C\C(=O)O Amb25756053 [1,0,0,0,0,0|1,0,2]=4 154 B8R0.7 C=CCNCCC(=O)O Amb33527032 [1,0,0,0,0,0|2,0,0]=3 155 B8R0.7 C=CCNCCC(=O)O Amb7755724 [1,0,0,0,0,0|2,0,0]=3 156 B8R0.7 C=CCNCCC(N)=O Amb8841114 [1,0,0,0,0,0|3,0,0]=4 157 B8R0.7 C=CCOCCC(N)=O Amb27844989 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.7 C=CC\C=C\CC(=O)O Amb18642408 [1,0,0,0,0,0|1,0,2]=4 159 B8R0.7 C=C\C=C\CCC(=O)O Amb10605294 [1,0,0,0,0,0|1,0,2]=4 160 B8R0.7 CC#CCCCC(=O)O Amb28046337 [1,0,0,0,0,0|1,0,2]=4 161 B8R0.7 CC(=O)CCCCC#N Amb18642300 [1,0,0,0,0,0|2,0,1]=4 162 B8R0.7 CC(=O)CCCCCBr Amb27401578 [1,0,0,0,0,0|2,0,1]=4 163 B8R0.7 CC(=O)CCCCCCl Amb26591097 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.7 CC(=O)CCCCCN Amb22641918 [1,0,0,0,0,0|2,0,1]=4 165 B8R0.7 CC(=O)CCCCCN Amb24113384 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.7 CC(=O)CCCCCO Amb27237283 [1,0,0,0,0,0|1,0,1]=3 167 B8R0.7 CC(=O)CCCOC=O Amb1033032 [1,0,0,0,0,0|2,0,0]=3 168 B8R0.7 CC(=O)CCC\C=C\Cl Amb26336040 [1,0,0,0,0,0|2,0,1]=4 169 B8R0.7 CC(=O)CCNCCO Amb24481900 [1,0,0,0,0,0|2,0,1]=4 170 B8R0.7 CC(=O)CC\C=C\C=O Amb26875051 [1,0,0,0,0,0|1,0,2]=4 171 B8R0.7 CC(=O)NCCCCO Amb17102977 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.7 CC(=O)OCCCCO Amb25714960 [1,0,0,0,0,0|2,0,1]=4 173 B8R0.7 CC(=O)OCCNC=O Amb27212825 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.7 CC(=O)SCCCC=O Amb22524698 [1,0,0,0,0,0|2,0,0]=3 175 B8R0.7 CC(C)CCCCC=O Amb18642674 [1,0,0,0,0,0|2,0,1]=4 176 B8R0.7 CC(Cl)CCCCC=O Amb18643832 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.7 CC(O)CCCCCO Amb27464322 [1,0,0,0,0,0|1,0,2]=4 178 B8R0.7 CC(O)CCCNC=O Amb28318284 [1,0,0,0,0,0|2,0,1]=4 179 B8R0.7 CC(O)CCCOC=O Amb27946413 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.7 CCCCCCC(=O)Cl Amb3940244 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.7 CCCCCCC(=O)O Amb34915914 [1,0,0,0,0,0|1,0,1]=3 182 B8R0.7 CCCCCCC(=O)O Amb3499439 [1,0,0,0,0,0|1,0,1]=3 183 B8R0.7 CCCCCCC(=O)[O-] Amb22729026 [1,0,0,0,0,0|1,0,2]=4 184 B8R0.7 CCCCCCC(C)=O Amb6891961 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.7 CCCCCCC(N)=O Amb8858816 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.7 CCCCNCC(=O)O Amb7766471 [1,0,0,0,0,0|2,0,1]=4 187 B8R0.7 CCCCOCC(=O)O Amb8514871 [1,0,0,0,0,0|2,0,1]=4 188 B8R0.7 CCCCSCC(=O)O Amb1138789 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.7 CCCNCCC(=O)O Amb18633174 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.7 CCCNCCC(=O)O Amb2372065 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.7 CCCOCCC(=O)O Amb8874502 [1,0,0,0,0,0|2,0,1]=4 192 B8R0.7 CCNCCCC(=O)O Amb30585148 [1,0,0,0,0,0|2,0,1]=4 193 B8R0.7 CCNCCCC(=O)O Amb6253896 [1,0,0,0,0,0|2,0,1]=4 194 B8R0.7 CCOCCCC(=O)O Amb6257602 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.7 CCSCCCC(=O)O Amb6680204 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.7 CN(C)CCCCC=O Amb25276429 [1,0,0,0,0,0|3,0,0]=4 197 B8R0.7 CNCCCCC(=O)O Amb10605773 [1,0,0,0,0,0|2,0,0]=3 198 B8R0.7 CNCCCCC(=O)O Amb24340485 [1,0,0,0,0,0|2,0,0]=3 199 B8R0.7 CNCCCCC(N)=O Amb27780478 [1,0,0,0,0,0|3,0,0]=4 200 B8R0.7 CNCCOCC(=O)O Amb18630741 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.7 COCCCCC(=O)O Amb9207785 [1,0,0,0,0,0|2,0,0]=3 202 B8R0.7 COCCCCC(C)=O Amb9659801 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.7 COCCNCC(=O)O Amb19514667 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.7 COCCNCC(=O)O Amb7766415 [1,0,0,0,0,0|3,0,0]=4 205 B8R0.7 COCCOCC(=O)O Amb2721259 [1,0,0,0,0,0|3,0,0]=4 206 B8R0.7 COCCSCC(=O)O Amb6245777 [1,0,0,0,0,0|3,0,0]=4 207 B8R0.7 COCOCCC(=O)O Amb27784860 [1,0,0,0,0,0|3,0,0]=4 208 B8R0.7 COCSCCC(=O)O Amb27263382 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.7 CS(=O)CCCCC=O Amb27856287 [1,0,0,0,0,0|2,0,0]=3 210 B8R0.7 CSCCCCC(=O)O Amb17503764 [1,0,0,0,0,0|2,0,0]=3 211 B8R0.7 CSCCCCC(C)=O Amb27815140 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.7 CSCCCCC(N)=O Amb27662727 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.7 CSCCNCC(=O)O Amb24401934 [1,0,0,0,0,0|3,0,0]=4 214 B8R0.7 CSCCNCC(=O)O Amb28934977 [1,0,0,0,0,0|3,0,0]=4 215 B8R0.7 CSCCOCC(=O)O Amb27392229 [1,0,0,0,0,0|3,0,0]=4 216 B8R0.7 CSCCSCC(=O)O Amb27964765 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.7 CSSCCCC(=O)O Amb25269470 [1,0,0,0,0,0|3,0,0]=4 218 B8R0.7 C[C@@H](O)CCCCCO Amb28461367 [1,0,0,0,0,0|1,0,2]=4 219 B8R0.7 C[C@H](O)CCCCC=O Amb27793108 [1,0,0,0,0,0|1,0,1]=3 220 B8R0.7 C\C(Cl)=C\CCCC=O Amb27252215 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.7 C\C=C\CCCC(=O)O Amb18642615 [1,0,0,0,0,0|1,0,1]=3 222 B8R0.7 C\C=C\CCCC(C)=O Amb24466633 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.7 C\C=C\CSCC(=O)O Amb9727556 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.7 N#CCCCCC(=O)O Amb17593332 [1,0,0,0,0,0|1,0,1]=3 225 B8R0.7 N#CCCCCC(N)=O Amb24108037 [1,0,0,0,0,0|2,0,1]=4 226 B8R0.7 N#CCCNCC(=O)O Amb2720474 [1,0,0,0,0,0|2,0,1]=4 227 B8R0.7 N#CCCSCC(=O)O Amb17502363 [1,0,0,0,0,0|2,0,1]=4 228 B8R0.7 N#CCSCCC(=O)O Amb6277440 [1,0,0,0,0,0|2,0,1]=4 229 B8R0.7 N=C(N)CCCCCO Amb27447678 [1,0,0,0,0,0|2,0,1]=4 230 B8R0.7 NC(=O)CCCCCBr Amb2685265 [1,0,0,0,0,0|2,0,1]=4 231 B8R0.7 NC(=O)CCCCCCl Amb27392074 [1,0,0,0,0,0|2,0,1]=4 232 B8R0.7 NC(=O)CCCCCF Amb27837777 [1,0,0,0,0,0|2,0,1]=4 233 B8R0.7 NC(=O)CCCCCO Amb22524369 [1,0,0,0,0,0|1,0,1]=3 234 B8R0.7 NC(=O)CCNCCO Amb4303499 [1,0,0,0,0,0|2,0,1]=4 235 B8R0.7 NC(=O)CCOCCO Amb28289325 [1,0,0,0,0,0|2,0,1]=4 236 B8R0.7 NC(=O)CNCCCO Amb9246617 [1,0,0,0,0,0|2,0,1]=4 237 B8R0.7 NC(=O)CSCCCO Amb27408312 [1,0,0,0,0,0|2,0,1]=4 238 B8R0.7 NCCCCCC(=O)Cl Amb17142873 [1,0,0,0,0,0|2,0,1]=4 239 B8R0.7 NCCCCCC(=O)O Amb17607928 [1,0,0,0,0,0|1,0,1]=3 240 B8R0.7 NCCCCCC(=O)O Amb1905625 [1,0,0,0,0,0|1,0,1]=3 241 B8R0.7 NCCCCCC(=O)[O-] Amb28990947 [1,0,0,0,0,0|1,0,2]=4 242 B8R0.7 NCCCOCC(=O)O Amb18111435 [1,0,0,0,0,0|2,0,1]=4 243 B8R0.7 NCCCOCC(=O)O Amb31217489 [1,0,0,0,0,0|2,0,1]=4 244 B8R0.7 NCCCSCC(=O)O Amb17500676 [1,0,0,0,0,0|2,0,1]=4 245 B8R0.7 NCCNCCC(=O)O Amb20668304 [1,0,0,0,0,0|2,0,1]=4 246 B8R0.7 NCCNCCC(=O)O Amb22058790 [1,0,0,0,0,0|2,0,1]=4 247 B8R0.7 NCCOCCC(=O)O Amb18630461 [1,0,0,0,0,0|2,0,1]=4 248 B8R0.7 NCCOCCC(=O)O Amb33330744 [1,0,0,0,0,0|2,0,1]=4 249 B8R0.7 NCCSCCC(=O)O Amb21988844 [1,0,0,0,0,0|2,0,1]=4 250 B8R0.7 NOCCCCC(=O)O Amb27596055 [1,0,0,0,0,0|2,0,0]=3 251 B8R0.7 O=C(Cl)CCCCCBr Amb2685267 [1,0,0,0,0,0|2,0,1]=4 252 B8R0.7 O=C(Cl)CCCCCCl Amb10844967 [1,0,0,0,0,0|2,0,1]=4 253 B8R0.7 O=C(Cl)CCCCCO Amb28056558 [1,0,0,0,0,0|1,0,1]=3 254 B8R0.7 O=C(F)CCCCCCl Amb27173031 [1,0,0,0,0,0|2,0,1]=4 255 B8R0.7 O=C(O)CCC#CCO Amb27949900 [1,0,0,0,0,0|0,0,3]=4 256 B8R0.7 O=C(O)CCCCCBr Amb2081955 [1,0,0,0,0,0|1,0,1]=3 257 B8R0.7 O=C(O)CCCCCCl Amb18796646 [1,0,0,0,0,0|1,0,1]=3 258 B8R0.7 O=C(O)CCCCCF Amb26063796 [1,0,0,0,0,0|1,0,1]=3 259 B8R0.7 O=C(O)CCCCCI Amb22736492 [1,0,0,0,0,0|1,0,1]=3 260 B8R0.7 O=C(O)CCCCCO Amb8515991 [1,0,0,0,0,0|0,0,1]=2 261 B8R0.7 O=C(O)CCCCNO Amb28410171 [1,0,0,0,0,0|1,0,0]=2 262 B8R0.7 O=C(O)CCCN=C=S Amb26330552 [1,0,0,0,0,0|1,1,1]=4 263 B8R0.7 O=C(O)CCNCCF Amb27954272 [1,0,0,0,0,0|2,0,1]=4 264 B8R0.7 O=C(O)CCNCCO Amb1110010 [1,0,0,0,0,0|1,0,1]=3 265 B8R0.7 O=C(O)CCNCCS Amb28285239 [1,0,0,0,0,0|1,1,1]=4 266 B8R0.7 O=C(O)CCOCCBr Amb24057757 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.7 O=C(O)CCOCCF Amb27807548 [1,0,0,0,0,0|2,0,1]=4 268 B8R0.7 O=C(O)CCOCCO Amb6680916 [1,0,0,0,0,0|1,0,1]=3 269 B8R0.7 O=C(O)CCOCCS Amb27226892 [1,0,0,0,0,0|1,1,1]=4 270 B8R0.7 O=C(O)CCSCCBr Amb27468126 [1,0,0,0,0,0|2,0,1]=4 271 B8R0.7 O=C(O)CCSCCF Amb27172860 [1,0,0,0,0,0|2,0,1]=4 272 B8R0.7 O=C(O)CCSCCS Amb18126456 [1,0,0,0,0,0|1,1,1]=4 273 B8R0.7 O=C(O)CNCCCCl Amb28055692 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.7 O=C(O)CNCCCF Amb27649256 [1,0,0,0,0,0|2,0,1]=4 275 B8R0.7 O=C(O)CNCCCO Amb9325805 [1,0,0,0,0,0|1,0,1]=3 276 B8R0.7 O=C(O)COCCCO Amb28288633 [1,0,0,0,0,0|1,0,1]=3 277 B8R0.7 O=C(O)COC\C=C\Cl Amb27450817 [1,0,0,0,0,0|2,0,1]=4 278 B8R0.7 O=C(O)C\C=C/CCO Amb28410474 [1,0,0,0,0,0|0,0,3]=4 279 B8R0.7 O=C(O)C\C=C\CCO Amb27221056 [1,0,0,0,0,0|0,0,3]=4 280 B8R0.7 O=C([O-])CCCCCO Amb22491268 [1,0,0,0,0,0|0,0,2]=3 281 B8R0.7 O=C=NCCCC(=O)O Amb26014000 [1,0,0,0,0,0|1,0,1]=3 282 B8R0.7 O=CCCCC=C(Cl)Cl Amb27870361 [1,0,0,0,0,0|2,0,1]=4 283 B8R0.7 O=CCCCCC(=O)O Amb18642763 [1,0,0,0,0,0|0,0,0]=1 284 B8R0.7 O=CCCCCC(O)O Amb28285175 [1,0,0,0,0,0|0,0,2]=3 285 B8R0.7 O=CCCCO[N+](=O)[O-] Amb27864566 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.7 O=CC\C=C\CC(=O)O Amb25911988 [1,0,0,0,0,0|0,0,2]=3 287 B8R0.7 O=CNCCCC(=O)O Amb18305404 [1,0,0,0,0,0|1,0,0]=2 288 B8R0.7 O=CNC\C=C\C(=O)O Amb28045342 [1,0,0,0,0,0|1,0,2]=4 289 B8R0.7 O=COCCCC(=O)O Amb27217713 [1,0,0,0,0,0|1,0,0]=2 290 B8R0.7 O=C\C=C\CCC(=O)O Amb26920160 [1,0,0,0,0,0|0,0,2]=3 291 B8R0.7 O=S([O-])CCCCCO Amb27394866 [1,0,0,0,0,0|1,0,2]=4 292 B8R0.7 O=[N+]([O-])CCCCCO Amb25911225 [1,0,0,0,0,0|1,0,2]=4 293 B8R0.7 OCCCCCB(O)O Amb27614305 [1,0,0,0,0,0|1,0,2]=4 294 B8R0.7 [N-]=[N+]=NCCCC(=O)O Amb10575820 [1,0,0,0,0,0|3,0,0]=4 295 B10R0.15 CC(=O)CCCCS(=O)(=O)Cl Amb33076804 [0,1,0,0,0,0|2,0,1]=4 296 B10R0.15 CC(=O)NCCCS(=O)(=O)O Amb22735135 [0,1,0,0,0,0|3,0,0]=4 297 B10R0.15 CC(=O)NCCCS(=O)(=O)O Amb32712087 [0,1,0,0,0,0|3,0,0]=4 298 B10R0.15 CC(C)(C)CCCCC(=O)O Amb17593968 [0,1,0,0,0,0|2,0,1]=4 299 B10R0.15 CS(=O)(=O)CCCCC(=O)O Amb17503797 [0,1,0,0,0,0|1,0,1]=3 300 B10R0.15 CS(=O)(=O)NCCCC(=O)O Amb1112006 [0,1,0,0,0,0|2,0,1]=4 301 B10R0.15 C[N+](C)(C)CCCCC(=O)O Amb33735069 [0,1,0,0,0,0|3,0,0]=4 302 B10R0.15 NC(=O)CNCCS(=O)(=O)O Amb2720568 [0,1,0,0,0,0|3,0,0]=4 303 B10R0.15 O=C(O)CCCCC(F)(F)F Amb24063167 [0,1,0,0,0,0|2,0,1]=4 304 B10R0.15 O=C(O)CCCCP(=O)(O)O Amb3371884 [0,1,0,0,0,0|1,0,0]=2 305 B10R0.15 O=C(O)CCCCS(=O)(=O)O Amb32663857 [0,1,0,0,0,0|1,0,0]=2 306 B10R0.15 O=C(O)CCCC[B-](F)(F)F Amb27814823 [0,1,0,0,0,0|3,0,0]=4 307 B10R0.55 C#CC(=O)NCCCC(=O)O Amb6278585 [0,1,0,0,0,0|2,0,0]=3 308 B10R0.55 C=CC(=O)NCCCC(=O)O Amb6264090 [0,1,0,0,0,0|2,0,0]=3 309 B10R0.55 CC(=O)NCCC\C(N)=N\O Amb18182415 [0,1,0,0,0,0|3,0,0]=4 310 B10R0.55 CCC(=O)CCCCC(=O)O Amb6305227 [0,1,0,0,0,0|1,0,0]=2 311 B10R0.55 CCC(C)CCCCC(=O)O Amb24271145 [0,1,0,0,0,0|2,0,1]=4 312 B10R0.55 CNC(=O)CCCCC(=O)O Amb9390746 [0,1,0,0,0,0|1,0,0]=2 313 B10R0.55 CNC(=O)CCCNC(C)=O Amb27673634 [0,1,0,0,0,0|3,0,0]=4 314 B10R0.55 CNC(=O)CCCNC(N)=O Amb26990808 [0,1,0,0,0,0|3,0,0]=4 315 B10R0.55 CNC(=O)NCCCC(=O)O Amb18305512 [0,1,0,0,0,0|2,0,0]=3 316 B10R0.55 CNC(=O)NCCCC(C)=O Amb27269776 [0,1,0,0,0,0|3,0,0]=4 317 B10R0.55 CNC(=O)NCCCC(N)=O Amb28387497 [0,1,0,0,0,0|3,0,0]=4 318 B10R0.55 COC(=O)CCCCC(=O)O Amb3939891 [0,1,0,0,0,0|0,0,0]=1 319 B10R0.55 COC(=O)CCCCC(C)=O Amb21858863 [0,1,0,0,0,0|1,0,0]=2 320 B10R0.55 COC(=O)CCCCC(C)C Amb22887139 [0,1,0,0,0,0|2,0,1]=4 321 B10R0.55 COC(=O)CCCCC(C)N Amb19515545 [0,1,0,0,0,0|2,0,1]=4 322 B10R0.55 COC(=O)CSCCC(=O)O Amb9005247 [0,1,0,0,0,0|1,0,0]=2 323 B10R0.55 COC(=O)CSCCC(N)=S Amb2724563 [0,1,0,0,0,0|2,1,0]=4 324 B10R0.55 COC(=O)NCCCC(=O)O Amb6668735 [0,1,0,0,0,0|1,0,0]=2 325 B10R0.55 COC(=O)NCCNC(N)=O Amb28387514 [0,1,0,0,0,0|3,0,0]=4 326 B10R0.55 C\C(CCCNC(N)=O)=N/O Amb27671331 [0,1,0,0,0,0|3,0,0]=4 327 B10R0.55 NC(=O)NCCC\C(N)=N\O Amb18182508 [0,1,0,0,0,0|3,0,0]=4 328 B10R0.55 NNC(=O)CCCNC(N)=O Amb26990810 [0,1,0,0,0,0|3,0,0]=4 329 B10R0.55 NNC(=S)NCCCC(=O)O Amb27272376 [0,1,0,0,0,0|2,1,0]=4 330 B10R0.55 O=C(O)CCCCC(F)CBr Amb22547639 [0,1,0,0,0,0|2,0,1]=4 331 B10R0.55 O=C(O)CCCNC(=O)CCl Amb18791069 [0,1,0,0,0,0|2,0,0]=3 332 B10R0.96 C=C(\C=C\C(=O)O)CC(=O)O Amb26659891 [0,1,0,0,0,0|0,0,3]=4 333 B10R0.96 CC(=O)CC(=O)NCC(=O)O Amb19011373 [0,1,0,0,0,0|2,0,1]=4 334 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [0,1,0,0,0,0|1,0,0]=2 335 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [0,1,0,0,0,0|1,0,0]=2 336 B10R0.96 CC(=O)C\C(C)=N\CC(=O)O Amb25384127 [0,1,0,0,0,0|2,0,1]=4 337 B10R0.96 CC(=O)NC(C)CCC(=O)O Amb27492061 [0,1,0,0,0,0|2,0,0]=3 338 B10R0.96 CC(=O)NCC(O)CC(=O)O Amb28079665 [0,1,0,0,0,0|2,0,0]=3 339 B10R0.96 CC(=O)NN(C)CCC(=O)O Amb24764551 [0,1,0,0,0,0|3,0,0]=4 340 B10R0.96 CC(C)CC(N)CCC(=O)O Amb18177652 [0,1,0,0,0,0|2,0,1]=4 341 B10R0.96 CC(C)CC(O)CCC(=O)O Amb18797782 [0,1,0,0,0,0|2,0,1]=4 342 B10R0.96 CC(C)CCC(C)CC(=O)O Amb6749235 [0,1,0,0,0,0|2,0,1]=4 343 B10R0.96 CC(C)CCC(N)CC(=O)O Amb18830323 [0,1,0,0,0,0|2,0,1]=4 344 B10R0.96 CC(CCC(=O)Cl)CC(=O)Cl Amb3940506 [0,1,0,0,0,0|2,0,0]=3 345 B10R0.96 CC(CCC(=O)O)CC(=O)O Amb6608722 [0,1,0,0,0,0|0,0,0]=1 346 B10R0.96 CC(CCC(=O)O)NC(N)=O Amb27492066 [0,1,0,0,0,0|2,0,0]=3 347 B10R0.96 CC(CCN(C)C)CC(=O)O Amb33473550 [0,1,0,0,0,0|3,0,0]=4 348 B10R0.96 CN(C)CCC(N)CC(=O)O Amb33273734 [0,1,0,0,0,0|3,0,0]=4 349 B10R0.96 CN(C)CCC(O)CC(=O)O Amb33272268 [0,1,0,0,0,0|3,0,0]=4 350 B10R0.96 CN(C)CC[C@@H](O)CC(=O)O Amb33272267 [0,1,0,0,0,0|3,0,0]=4 351 B10R0.96 CN(C)CC[C@H](O)CC(=O)O Amb33272266 [0,1,0,0,0,0|3,0,0]=4 352 B10R0.96 CN(CCC(=O)O)CC(N)=O Amb8957129 [0,1,0,0,0,0|2,0,0]=3 353 B10R0.96 NC(=O)CC(=O)NCC(=O)O Amb27271867 [0,1,0,0,0,0|2,0,1]=4 354 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O Amb22746285 [0,1,0,0,0,0|1,0,0]=2 355 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Amb22348459 [0,1,0,0,0,0|1,0,0]=2 356 B10R0.96 NC(=O)CNC(=O)CC(=O)O Amb18315747 [0,1,0,0,0,0|2,0,1]=4 357 B10R0.96 NC(=O)NCC(O)CC(=O)O Amb28079675 [0,1,0,0,0,0|2,0,0]=3 358 B10R0.96 NC(CCC(=O)O)CC(=O)O Amb8631356 [0,1,0,0,0,0|0,0,0]=1 359 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Amb16232070 [0,1,0,0,0,0|0,0,0]=1 360 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O Amb22750585 [0,1,0,0,0,0|0,0,0]=1 361 B10R0.96 O=C(O)CCC(O)CC(=O)O Amb22727761 [0,1,0,0,0,0|0,0,0]=1 362 B10R0.96 O=C(O)CNC(=O)CC(=O)O Amb18800491 [0,1,0,0,0,0|1,0,1]=3 363 B10R0.98 CC(=O)CCCC(N)C(=O)O Amb33036722 [0,1,0,0,0,0|1,0,0]=2 364 B10R0.98 CC(=O)CCCC(N)C(N)=O Amb33308963 [0,1,0,0,0,0|2,0,0]=3 365 B10R0.98 CC(=O)CCC[C@@H](N)C(=O)O Amb32937025 [0,1,0,0,0,0|1,0,0]=2 366 B10R0.98 CC(=O)CCC[C@H](N)C(=O)O Amb32865922 [0,1,0,0,0,0|1,0,0]=2 367 B10R0.98 CC(=O)CCNC(C)C(=O)O Amb32675829 [0,1,0,0,0,0|2,0,0]=3 368 B10R0.98 CC(=O)CSCC(=O)C(=O)O Amb33069919 [0,1,0,0,0,0|2,0,1]=4 369 B10R0.98 CC(=O)N(C)CCCC(=O)O Amb9203971 [0,1,0,0,0,0|2,0,0]=3 370 B10R0.98 CC(=O)NCCC(C)C(=O)O Amb27270987 [0,1,0,0,0,0|2,0,0]=3 371 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O Amb26659493 [0,1,0,0,0,0|2,0,0]=3 372 B10R0.98 CC(=O)NCC[C@H](O)C(=O)O Amb27670710 [0,1,0,0,0,0|2,0,0]=3 373 B10R0.98 CC(=O)OCCC(Cl)C(C)=O Amb16234124 [0,1,0,0,0,0|3,0,0]=4 374 B10R0.98 CC(C)=CCCC(N)C(=O)O Amb27001257 [0,1,0,0,0,0|2,0,1]=4 375 B10R0.98 CC(C)=CCC[C@@H](N)C(=O)O Amb33065465 [0,1,0,0,0,0|2,0,1]=4 376 B10R0.98 CC(C)=CCC[C@H](N)C(=O)O Amb25383796 [0,1,0,0,0,0|2,0,1]=4 377 B10R0.98 CC(C)CCCC(C)C(=O)O Amb33358621 [0,1,0,0,0,0|2,0,1]=4 378 B10R0.98 CC(C)CCCC(N)C(=O)O Amb30584746 [0,1,0,0,0,0|2,0,1]=4 379 B10R0.98 CC(C)CCCC(N)C(=O)O Amb32679429 [0,1,0,0,0,0|2,0,1]=4 380 B10R0.98 CC(C)CCC[C@@H](C)C(=O)O Amb33727257 [0,1,0,0,0,0|2,0,1]=4 381 B10R0.98 CC(C)CCC[C@@H](N)C(=O)O Amb22745714 [0,1,0,0,0,0|2,0,1]=4 382 B10R0.98 CC(C)CCC[C@H](C)C(=O)O Amb33744631 [0,1,0,0,0,0|2,0,1]=4 383 B10R0.98 CC(C)CCC[C@H](N)C(=O)O Amb34161240 [0,1,0,0,0,0|2,0,1]=4 384 B10R0.98 CC(CCCN(C)C)C(=O)O Amb33359292 [0,1,0,0,0,0|3,0,0]=4 385 B10R0.98 CC(CCNC(N)=O)C(=O)O Amb27270986 [0,1,0,0,0,0|2,0,0]=3 386 B10R0.98 CC(N)CCCC(C)C(=O)O Amb19337779 [0,1,0,0,0,0|2,0,1]=4 387 B10R0.98 CC(N)CCCC(C)C(=O)O Amb22059651 [0,1,0,0,0,0|2,0,1]=4 388 B10R0.98 CC(NCCC(=O)O)C(=O)O Amb18098310 [0,1,0,0,0,0|1,0,0]=2 389 B10R0.98 CC(O)CCCC(N)C(=O)O Amb32941153 [0,1,0,0,0,0|1,0,1]=3 390 B10R0.98 CC(O)CCCC(N)C(N)=O Amb33308669 [0,1,0,0,0,0|2,0,1]=4 391 B10R0.98 CC(O)CCC[C@@H](N)C(=O)O Amb33066250 [0,1,0,0,0,0|1,0,1]=3 392 B10R0.98 CC(O)CCC[C@H](N)C(=O)O Amb33127508 [0,1,0,0,0,0|1,0,1]=3 393 B10R0.98 CC(SCCC(=O)O)C(=O)O Amb17501234 [0,1,0,0,0,0|1,0,0]=2 394 B10R0.98 CC(SCCC(=O)O)C(N)=O Amb9202514 [0,1,0,0,0,0|2,0,0]=3 395 B10R0.98 CC(S\C=C\C(=O)O)C(=O)O Amb18647961 [0,1,0,0,0,0|1,0,2]=4 396 B10R0.98 CN(C)CCCC(N)C(=O)O Amb18199837 [0,1,0,0,0,0|3,0,0]=4 397 B10R0.98 CN(C)CCCC(O)C(=O)O Amb33272932 [0,1,0,0,0,0|3,0,0]=4 398 B10R0.98 CN(C)CCC[C@@H](N)C(=O)O Amb31295703 [0,1,0,0,0,0|3,0,0]=4 399 B10R0.98 CN(C)CCC[C@H](N)C(=O)O Amb33036715 [0,1,0,0,0,0|3,0,0]=4 400 B10R0.98 N=C(N)NCC[C@@H](N)C(=O)O Amb27266501 [0,1,0,0,0,0|3,0,0]=4 401 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O Amb20240584 [0,1,0,0,0,0|3,0,0]=4 402 B10R0.98 NC(=O)CCNC(=O)C(=O)O Amb9416245 [0,1,0,0,0,0|2,0,1]=4 403 B10R0.98 NC(=O)CSCC(=O)C(=O)O Amb33069776 [0,1,0,0,0,0|2,0,1]=4 404 B10R0.98 NC(=O)NCCC(O)C(=O)O Amb27670719 [0,1,0,0,0,0|2,0,0]=3 405 B10R0.98 NC(=O)NCC[C@H](O)C(=O)O Amb27670720 [0,1,0,0,0,0|2,0,0]=3 406 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb22740152 [0,1,0,0,0,0|0,0,0]=1 407 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb6334822 [0,1,0,0,0,0|0,0,0]=1 408 B10R0.98 NC(CCCC(F)F)C(=O)O Amb32788578 [0,1,0,0,0,0|2,0,1]=4 409 B10R0.98 NC(CSCC(=O)O)C(=O)O Amb6740297 [0,1,0,0,0,0|1,0,0]=2 410 B10R0.98 NC(N)=NCCC(N)C(=O)O Amb22492813 [0,1,0,0,0,0|3,0,0]=4 411 B10R0.98 NC(N)=NCC[C@H](N)C(=O)O Amb33842525 [0,1,0,0,0,0|3,0,0]=4 412 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O Amb6600090 [0,1,0,0,0,0|0,0,0]=1 413 B10R0.98 N[C@@H](CCCC(F)F)C(=O)O Amb33066046 [0,1,0,0,0,0|2,0,1]=4 414 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb16232500 [0,1,0,0,0,0|1,0,0]=2 415 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb6336477 [0,1,0,0,0,0|1,0,0]=2 416 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Amb8629031 [0,1,0,0,0,0|0,0,0]=1 417 B10R0.98 N[C@H](CCCC(F)F)C(=O)O Amb33309003 [0,1,0,0,0,0|2,0,1]=4 418 B10R0.98 N[C@H](C\C=C\C(=O)O)C(=O)O Amb25383155 [0,1,0,0,0,0|0,0,2]=3 419 B10R0.98 O=C(O)CCCC(O)C(=O)O Amb21963897 [0,1,0,0,0,0|0,0,0]=1 420 B10R0.98 O=C(O)CONC(=O)C(=O)O Amb16185780 [0,1,0,0,0,0|2,0,1]=4 421 B10R0.98 O=C(O)CSCC(=O)C(=O)O Amb33069681 [0,1,0,0,0,0|1,0,1]=3 422 B10R0.98 O=C(O)C\C=C/C(=O)C(=O)O Amb27269966 [0,1,0,0,0,0|0,0,3]=4 423 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] Amb22284811 [0,1,0,0,0,0|0,0,2]=3 424 B10R1.54 C=C1CCN(CC(=O)O)C1 Amb30028134 [0,0,0,1,0,0|3,0,0]=4 425 B10R1.54 CC(=O)CC1CCC(=O)C1 Amb28122070 [0,0,0,1,0,0|2,0,0]=3 426 B10R1.54 CC(=O)CC1CCC(=O)N1 Amb18831756 [0,0,0,1,0,0|2,0,0]=3 427 B10R1.54 CC(=O)CC1CCC(C)O1 Amb26910621 [0,0,0,1,0,0|2,0,1]=4 428 B10R1.54 CC(=O)CC1CC[C@@H](C)O1 Amb33423435 [0,0,0,1,0,0|2,0,1]=4 429 B10R1.54 CC(=O)C[C@@H]1CC[C@@H](C)O1 Amb27638169 [0,0,0,1,0,0|2,0,1]=4 430 B10R1.54 CC(=O)C[C@@H]1CC[C@H](C)O1 Amb26560001 [0,0,0,1,0,0|2,0,1]=4 431 B10R1.54 CC(=O)C[C@H]1CC[C@H](C)O1 Amb27856910 [0,0,0,1,0,0|2,0,1]=4 432 B10R1.54 CC(=O)NC1CCC(=O)C1 Amb27425009 [0,0,0,1,0,0|3,0,0]=4 433 B10R1.54 CC(=O)NC1CCC(=O)N1 Amb27882658 [0,0,0,1,0,0|3,0,0]=4 434 B10R1.54 CC(=O)S[C@H]1CCC(=O)C1 Amb27750249 [0,0,0,1,0,0|3,0,0]=4 435 B10R1.54 CC(N)CC1CCC(=O)O1 Amb28142295 [0,0,0,1,0,0|2,0,1]=4 436 B10R1.54 CC1=NN(CC(=O)O)CC1 Amb10608429 [0,0,0,1,0,0|3,0,0]=4 437 B10R1.54 CC1=NN(CC(=O)O)CC1 Amb21959682 [0,0,0,1,0,0|3,0,0]=4 438 B10R1.54 CC1CCC(CC(=O)O)C1 Amb18643912 [0,0,0,1,0,0|2,0,1]=4 439 B10R1.54 CC1CCC(CC(=O)O)N1 Amb8387923 [0,0,0,1,0,0|2,0,1]=4 440 B10R1.54 CC1CCC(CC(=O)O)O1 Amb24715878 [0,0,0,1,0,0|1,0,1]=3 441 B10R1.54 CN(C)CC1CCC(=O)O1 Amb28251096 [0,0,0,1,0,0|3,0,0]=4 442 B10R1.54 CN1CCC(CC(=O)O)C1 Amb33550954 [0,0,0,1,0,0|3,0,0]=4 443 B10R1.54 CN1CCC(CC(=O)O)C1 Amb8009899 [0,0,0,1,0,0|3,0,0]=4 444 B10R1.54 C[C@@H]1CCC(CC(=O)O)C1 Amb27436927 [0,0,0,1,0,0|2,0,1]=4 445 B10R1.54 C[C@@H]1CCC(CC(=O)O)O1 Amb33423873 [0,0,0,1,0,0|1,0,1]=3 446 B10R1.54 C[C@@H]1CC[C@H](CC(=O)O)O1 Amb27969185 [0,0,0,1,0,0|1,0,1]=3 447 B10R1.54 C[NH+](C)C[C@@H]1CCC(=O)O1 Amb28464025 [0,0,0,1,0,0|3,0,0]=4 448 B10R1.54 N[C@@H]1CC[C@@H](CC(=O)O)C1 Amb10066890 [0,0,0,1,0,0|2,0,1]=4 449 B10R1.54 N[C@@H]1CC[C@H](CC(=O)O)C1 Amb10066892 [0,0,0,1,0,0|2,0,1]=4 450 B10R1.54 N[C@@H]1CC[C@H](CC(=O)O)C1 Amb35745836 [0,0,0,1,0,0|2,0,1]=4 451 B10R1.54 N[C@H]1CC[C@@H](CC(=O)O)C1 Amb10066912 [0,0,0,1,0,0|2,0,1]=4 452 B10R1.54 O=C(Cl)CC1CCC(=O)C1 Amb27614921 [0,0,0,1,0,0|2,0,0]=3 453 B10R1.54 O=C(O)CC1=CC(=O)CC1 Amb27813115 [0,0,0,1,0,0|1,0,1]=3 454 B10R1.54 O=C(O)CC1=CC(=O)OC1 Amb27615054 [0,0,0,1,0,0|2,0,1]=4 455 B10R1.54 O=C(O)CC1=NC(=O)CS1 Amb9774271 [0,0,0,1,0,0|2,0,1]=4 456 B10R1.54 O=C(O)CC1CC(=O)CN1 Amb27860610 [0,0,0,1,0,0|2,0,0]=3 457 B10R1.54 O=C(O)CC1CC(O)CN1 Amb25082530 [0,0,0,1,0,0|2,0,1]=4 458 B10R1.54 O=C(O)CC1CCC(=O)C1 Amb18643816 [0,0,0,1,0,0|1,0,0]=2 459 B10R1.54 O=C(O)CC1CCC(=O)N1 Amb2372619 [0,0,0,1,0,0|1,0,0]=2 460 B10R1.54 O=C(O)CC1CCC(=O)O1 Amb6316138 [0,0,0,1,0,0|0,0,0]=1 461 B10R1.54 O=C(O)CC1CCC(F)C1 Amb24679226 [0,0,0,1,0,0|2,0,1]=4 462 B10R1.54 O=C(O)CC1CCC(O)C1 Amb33545095 [0,0,0,1,0,0|1,0,1]=3 463 B10R1.54 O=C(O)CC1CNC(=O)C1 Amb18831602 [0,0,0,1,0,0|2,0,0]=3 464 B10R1.54 O=C(O)CC1COC(=O)C1 Amb20669416 [0,0,0,1,0,0|2,0,0]=3 465 B10R1.54 O=C(O)CC1COC(=O)N1 Amb27838109 [0,0,0,1,0,0|2,0,0]=3 466 B10R1.54 O=C(O)CC1C[C@@H](O)CN1 Amb32990253 [0,0,0,1,0,0|2,0,1]=4 467 B10R1.54 O=C(O)CC1C[C@H](O)CN1 Amb32990254 [0,0,0,1,0,0|2,0,1]=4 468 B10R1.54 O=C(O)CN1CCC(O)C1 Amb22001816 [0,0,0,1,0,0|2,0,1]=4 469 B10R1.54 O=C(O)CN1CCC(O)C1 Amb2699841 [0,0,0,1,0,0|2,0,1]=4 470 B10R1.54 O=C(O)CN1CC[C@@H](O)C1 Amb2697169 [0,0,0,1,0,0|2,0,1]=4 471 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 Amb28314258 [0,0,0,1,0,0|0,0,2]=3 472 B10R1.54 O=C(O)C[C@@H]1CC(O)CN1 Amb34915761 [0,0,0,1,0,0|2,0,1]=4 473 B10R1.54 O=C(O)C[C@@H]1CCC(=O)C1 Amb24480441 [0,0,0,1,0,0|1,0,0]=2 474 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 Amb22587587 [0,0,0,1,0,0|1,0,0]=2 475 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](O)C1 Amb33716084 [0,0,0,1,0,0|1,0,1]=3 476 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 Amb27654242 [0,0,0,1,0,0|1,0,1]=3 477 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Amb24410373 [0,0,0,1,0,0|2,0,0]=3 478 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 Amb26930782 [0,0,0,1,0,0|2,0,1]=4 479 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 Amb6754088 [0,0,0,1,0,0|2,0,1]=4 480 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 Amb22898751 [0,0,0,1,0,0|1,0,0]=2 481 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 Amb22587585 [0,0,0,1,0,0|1,0,0]=2 482 B10R1.54 O=C(O)C[C@H]1CCC(=O)O1 Amb26025159 [0,0,0,1,0,0|0,0,0]=1 483 B10R1.54 O=C(O)C[C@H]1CC[C@@H](O)C1 Amb28197757 [0,0,0,1,0,0|1,0,1]=3 484 B10R1.54 O=C(O)C[C@H]1CC[C@H](O)C1 Amb27221654 [0,0,0,1,0,0|1,0,1]=3 485 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Amb26611732 [0,0,0,1,0,0|2,0,0]=3 486 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 Amb25744486 [0,0,0,1,0,0|2,0,0]=3 487 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 Amb22756736 [0,0,0,1,0,0|2,0,1]=4 488 B10R1.54 O=C(O)\C=C1\CCC(=O)O1 Amb27850176 [0,0,0,1,0,0|0,0,2]=3 489 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 Amb21964316 [0,0,0,1,0,0|2,0,1]=4 490 B10R1.71 C=C1CCCCC(=O)CC1 Amb27255772 [0,0,0,1,0,0|3,0,0]=4 491 B10R1.71 O=C1C=CC(O)CCCC1 Amb27262895 [0,0,0,1,0,0|2,0,1]=4 492 B10R1.71 O=C1C=C[C@H](O)CCCC1 Amb27432484 [0,0,0,1,0,0|2,0,1]=4 493 B10R1.71 O=C1CCCCC(=O)CC1 Amb4035103 [0,0,0,1,0,0|2,0,0]=3 494 B10R1.73 C=C1CC1CCCC(C)=O Amb27762557 [0,0,0,1,0,0|3,0,0]=4 495 B10R1.73 CC1CC1CCCC(=O)O Amb25921322 [0,0,0,1,0,0|2,0,1]=4 496 B10R1.73 C[C@@H]1C[C@@H]1CCCC(=O)O Amb27494069 [0,0,0,1,0,0|2,0,1]=4 497 B10R1.82 C=C1CN(CCC(=O)O)C1 Amb35591440 [0,0,0,1,0,0|3,0,0]=4 498 B10R1.82 CC1CC(CCC(=O)O)C1 Amb23570781 [0,0,0,1,0,0|2,0,1]=4 499 B10R1.82 NC1CC(CCC(=O)O)C1 Amb31254734 [0,0,0,1,0,0|2,0,1]=4 500 B10R1.82 NC1CC(CCC(=O)O)C1 Amb33457338 [0,0,0,1,0,0|2,0,1]=4 501 B10R1.82 N[C@H]1C[C@@H](CCC(=O)O)C1 Amb32828693 [0,0,0,1,0,0|2,0,1]=4 502 B10R1.82 N[C@H]1C[C@@H](CCC(=O)O)C1 Amb33330526 [0,0,0,1,0,0|2,0,1]=4 503 B10R1.82 O=C(O)C#CC1CC(=O)C1 Amb32671263 [0,0,0,1,0,0|1,0,2]=4 504 B10R1.82 O=C(O)CCC1CC(=O)C1 Amb25770415 [0,0,0,1,0,0|1,0,0]=2 505 B10R1.82 O=C(O)CNC1CS(=O)C1 Amb27793861 [0,0,0,1,0,0|3,0,0]=4 506 B10R1.113 C=C(C)C1CCCC(=O)C1 Amb17593503 [0,0,0,1,0,0|3,0,0]=4 507 B10R1.113 C=C(C)C1CCCC(=O)N1 Amb27427373 [0,0,0,1,0,0|3,0,0]=4 508 B10R1.113 C=C(C)[C@H]1CCCC(=O)C1 Amb27262989 [0,0,0,1,0,0|3,0,0]=4 509 B10R1.113 CC(=O)C1CCCC(=O)O1 Amb24662042 [0,0,0,1,0,0|1,0,0]=2 510 B10R1.113 CC(=O)C1CCCS(=O)C1 Amb28400076 [0,0,0,1,0,0|3,0,0]=4 511 B10R1.113 CC(=O)C1CCNC(=O)C1 Amb24511548 [0,0,0,1,0,0|3,0,0]=4 512 B10R1.113 CC(=O)N1CCCC(=O)C1 Amb18831760 [0,0,0,1,0,0|3,0,0]=4 513 B10R1.113 CC(=O)[C@@H]1CCCC(=O)C1 Amb27974638 [0,0,0,1,0,0|2,0,0]=3 514 B10R1.113 CC(=O)[C@@H]1CCC[C@H](O)C1 Amb28457491 [0,0,0,1,0,0|2,0,1]=4 515 B10R1.113 CC(C)C1CCCC(=O)O1 Amb31031119 [0,0,0,1,0,0|2,0,1]=4 516 B10R1.113 CC1=CC(C(=O)O)CCC1 Amb27252115 [0,0,0,1,0,0|2,0,0]=3 517 B10R1.113 CC1=NC(C(=O)O)CCN1 Amb16193456 [0,0,0,1,0,0|3,0,0]=4 518 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 Amb22348409 [0,0,0,1,0,0|3,0,0]=4 519 B10R1.113 CC1CCCC(C(=O)O)C1 Amb3939935 [0,0,0,1,0,0|2,0,1]=4 520 B10R1.113 CC1CCCC(C(=O)O)N1 Amb19959953 [0,0,0,1,0,0|2,0,1]=4 521 B10R1.113 CC1CCCC(C(=O)O)N1 Amb4314386 [0,0,0,1,0,0|2,0,1]=4 522 B10R1.113 CC1CCCC(C(=O)O)O1 Amb24529278 [0,0,0,1,0,0|1,0,1]=3 523 B10R1.113 CC1CCC[C@H](C(=O)O)N1 Amb540211 [0,0,0,1,0,0|2,0,1]=4 524 B10R1.113 CC1CCNC(C(=O)O)O1 Amb25702339 [0,0,0,1,0,0|2,0,1]=4 525 B10R1.113 CC1CNCC(C(=O)O)O1 Amb26021863 [0,0,0,1,0,0|2,0,1]=4 526 B10R1.113 CC1CNCC(C(=O)O)O1 Amb32752555 [0,0,0,1,0,0|2,0,1]=4 527 B10R1.113 CN1CCCC(C(=O)O)C1 Amb2689660 [0,0,0,1,0,0|3,0,0]=4 528 B10R1.113 CN1CCCC(C(=O)O)C1 Amb9238836 [0,0,0,1,0,0|3,0,0]=4 529 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 Amb22751960 [0,0,0,1,0,0|3,0,0]=4 530 B10R1.113 CN1CCC[C@H](C(=O)O)C1 Amb28428437 [0,0,0,1,0,0|3,0,0]=4 531 B10R1.113 CS(=O)C1CCCC(=O)C1 Amb27839040 [0,0,0,1,0,0|3,0,0]=4 532 B10R1.113 C[C@@H]1CCC[C@H](C(=O)O)N1 Amb25168905 [0,0,0,1,0,0|2,0,1]=4 533 B10R1.113 C[C@@H]1CCC[C@H](C(=O)O)N1 Amb32666562 [0,0,0,1,0,0|2,0,1]=4 534 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)O1 Amb33804088 [0,0,0,1,0,0|2,0,1]=4 535 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)O1 Amb25378882 [0,0,0,1,0,0|2,0,1]=4 536 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)O1 Amb32664812 [0,0,0,1,0,0|2,0,1]=4 537 B10R1.113 C[C@H]1CCC[C@@H](C(=O)O)C1 Amb25919595 [0,0,0,1,0,0|2,0,1]=4 538 B10R1.113 C[C@H]1CCC[C@@H](C(=O)O)N1 Amb28145011 [0,0,0,1,0,0|2,0,1]=4 539 B10R1.113 C[C@H]1CCC[C@@H](C(=O)O)N1 Amb35746778 [0,0,0,1,0,0|2,0,1]=4 540 B10R1.113 C[C@H]1CCO[C@@H](C(=O)O)O1 Amb27815067 [0,0,0,1,0,0|2,0,1]=4 541 B10R1.113 C[C@H]1OCC[C@@H](C(=O)O)O1 Amb26918498 [0,0,0,1,0,0|2,0,1]=4 542 B10R1.113 N=C1NCC[C@H](C(=O)O)N1 Amb27203442 [0,0,0,1,0,0|3,0,0]=4 543 B10R1.113 NC(=O)C1=CC(=O)CCC1 Amb28340855 [0,0,0,1,0,0|2,0,1]=4 544 B10R1.113 NC(=O)C1CC(=O)CCN1 Amb18202632 [0,0,0,1,0,0|3,0,0]=4 545 B10R1.113 NC(=O)C1CCCC(=O)C1 Amb24470598 [0,0,0,1,0,0|2,0,0]=3 546 B10R1.113 NC(=O)C1CCCC(O)C1 Amb25067304 [0,0,0,1,0,0|2,0,1]=4 547 B10R1.113 NC(=O)C1CNCC(=O)N1 Amb27843743 [0,0,0,1,0,0|3,0,0]=4 548 B10R1.113 NC(=O)[C@@H]1CCCC(=O)N1 Amb24753146 [0,0,0,1,0,0|2,0,0]=3 549 B10R1.113 NC(=O)[C@@H]1CCC[C@H](O)C1 Amb27433641 [0,0,0,1,0,0|2,0,1]=4 550 B10R1.113 NC1=NC(C(=O)O)CCS1 Amb25756997 [0,0,0,1,0,0|3,0,0]=4 551 B10R1.113 NC1=NCCC(C(=O)O)C1 Amb28042963 [0,0,0,1,0,0|3,0,0]=4 552 B10R1.113 NC1=NCCC(C(=O)O)N1 Amb27202937 [0,0,0,1,0,0|3,0,0]=4 553 B10R1.113 NC1=N[C@H](C(=O)O)CSC1 Amb28384073 [0,0,0,1,0,0|3,0,0]=4 554 B10R1.113 NC1CCCC(C(=O)O)C1 Amb32664151 [0,0,0,1,0,0|2,0,1]=4 555 B10R1.113 NC1CCCC(C(=O)O)C1 Amb33545486 [0,0,0,1,0,0|2,0,1]=4 556 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 Amb10873166 [0,0,0,1,0,0|2,0,1]=4 557 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 Amb25989341 [0,0,0,1,0,0|2,0,1]=4 558 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 Amb20241308 [0,0,0,1,0,0|2,0,1]=4 559 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 Amb32643943 [0,0,0,1,0,0|2,0,1]=4 560 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 Amb20241307 [0,0,0,1,0,0|2,0,1]=4 561 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 Amb23439976 [0,0,0,1,0,0|2,0,1]=4 562 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 Amb22746829 [0,0,0,1,0,0|2,0,1]=4 563 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 Amb23439848 [0,0,0,1,0,0|2,0,1]=4 564 B10R1.113 O=C(O)C1=CC(O)CCC1 Amb25889028 [0,0,0,1,0,0|1,0,2]=4 565 B10R1.113 O=C(O)C1=CS(=O)CCC1 Amb24739116 [0,0,0,1,0,0|2,0,1]=4 566 B10R1.113 O=C(O)C1=C[C@H](O)CCC1 Amb27203167 [0,0,0,1,0,0|1,0,2]=4 567 B10R1.113 O=C(O)C1CC(O)CCN1 Amb24117443 [0,0,0,1,0,0|2,0,1]=4 568 B10R1.113 O=C(O)C1CC(O)CCO1 Amb28246597 [0,0,0,1,0,0|2,0,1]=4 569 B10R1.113 O=C(O)C1CCCC(F)C1 Amb26004039 [0,0,0,1,0,0|2,0,1]=4 570 B10R1.113 O=C(O)C1CCCC(O)C1 Amb33544783 [0,0,0,1,0,0|1,0,1]=3 571 B10R1.113 O=C(O)C1CCCC(S)C1 Amb32788453 [0,0,0,1,0,0|1,1,1]=4 572 B10R1.113 O=C(O)C1CNCC(O)C1 Amb2695137 [0,0,0,1,0,0|2,0,1]=4 573 B10R1.113 O=C(O)C1CNCC(O)C1 Amb8630089 [0,0,0,1,0,0|2,0,1]=4 574 B10R1.113 O=C(O)C1COCC(O)C1 Amb27810785 [0,0,0,1,0,0|2,0,1]=4 575 B10R1.113 O=C(O)C1CS(=O)CCN1 Amb26024462 [0,0,0,1,0,0|3,0,0]=4 576 B10R1.113 O=C(O)C1CS(=O)CCN1 Amb33038317 [0,0,0,1,0,0|3,0,0]=4 577 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 Amb22899464 [0,0,0,1,0,0|1,0,1]=3 578 B10R1.113 O=C(O)[C@@H]1CCC[C@H](Br)C1 Amb28053594 [0,0,0,1,0,0|2,0,1]=4 579 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 Amb28059041 [0,0,0,1,0,0|1,0,1]=3 580 B10R1.113 O=C(O)[C@@H]1CNC[C@@H](O)C1 Amb27186916 [0,0,0,1,0,0|2,0,1]=4 581 B10R1.113 O=C(O)[C@@H]1CNC[C@H](O)C1 Amb27188671 [0,0,0,1,0,0|2,0,1]=4 582 B10R1.113 O=C(O)[C@@H]1CS(=O)CCN1 Amb27444621 [0,0,0,1,0,0|3,0,0]=4 583 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 Amb22388540 [0,0,0,1,0,0|2,0,1]=4 584 B10R1.113 O=C(O)[C@@H]1C[C@H](O)CCN1 Amb22386828 [0,0,0,1,0,0|2,0,1]=4 585 B10R1.113 O=C(O)[C@H]1CCC[C@@H](Cl)C1 Amb28436868 [0,0,0,1,0,0|2,0,1]=4 586 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 Amb22899465 [0,0,0,1,0,0|1,0,1]=3 587 B10R1.113 O=C(O)[C@H]1CCC[C@H](Cl)C1 Amb28385610 [0,0,0,1,0,0|2,0,1]=4 588 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 Amb20241913 [0,0,0,1,0,0|2,0,1]=4 589 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 Amb22748263 [0,0,0,1,0,0|2,0,1]=4 590 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 Amb30982057 [0,0,0,1,0,0|2,0,1]=4 591 B10R1.113 O=C1C=C(C(=O)O)CCC1 Amb10789564 [0,0,0,1,0,0|1,0,1]=3 592 B10R1.113 O=C1C=CCC(C(=O)O)C1 Amb18643491 [0,0,0,1,0,0|1,0,2]=4 593 B10R1.113 O=C1C=CC[C@@H](C(=O)O)N1 Amb26347336 [0,0,0,1,0,0|1,0,2]=4 594 B10R1.113 O=C1CC(C(=O)O)CCN1 Amb33531218 [0,0,0,1,0,0|2,0,0]=3 595 B10R1.113 O=C1CC(C(=O)O)CNN1 Amb22546429 [0,0,0,1,0,0|3,0,0]=4 596 B10R1.113 O=C1CC(C(=O)O)CNN1 Amb28144294 [0,0,0,1,0,0|3,0,0]=4 597 B10R1.113 O=C1CC=CC(C(=O)O)N1 Amb27785978 [0,0,0,1,0,0|1,0,2]=4 598 B10R1.113 O=C1CCC=C(C(=O)O)C1 Amb2699959 [0,0,0,1,0,0|1,0,2]=4 599 B10R1.113 O=C1CCCC(C(=O)O)C1 Amb6305244 [0,0,0,1,0,0|1,0,0]=2 600 B10R1.113 O=C1CCCC(C(=O)O)N1 Amb2697230 [0,0,0,1,0,0|1,0,0]=2 601 B10R1.113 O=C1CCCC(C(=O)O)O1 Amb27969173 [0,0,0,1,0,0|0,0,0]=1 602 B10R1.113 O=C1CCCC([N+](=O)[O-])C1 Amb28052380 [0,0,0,1,0,0|2,0,1]=4 603 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 Amb28050152 [0,0,0,1,0,0|1,0,0]=2 604 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 Amb10576327 [0,0,0,1,0,0|1,0,0]=2 605 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 Amb8631220 [0,0,0,1,0,0|1,0,0]=2 606 B10R1.113 O=C1CCNC(C(=O)O)C1 Amb13889088 [0,0,0,1,0,0|2,0,0]=3 607 B10R1.113 O=C1CCNC(C(=O)O)C1 Amb13889089 [0,0,0,1,0,0|2,0,0]=3 608 B10R1.113 O=C1CCN[C@@H](C(=O)O)C1 Amb27977165 [0,0,0,1,0,0|2,0,0]=3 609 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 Amb13889084 [0,0,0,1,0,0|2,0,0]=3 610 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 Amb2699956 [0,0,0,1,0,0|2,0,0]=3 611 B10R1.113 O=C1CCOC(C(=O)O)C1 Amb22496784 [0,0,0,1,0,0|2,0,0]=3 612 B10R1.113 O=C1CNCC(C(=O)O)C1 Amb27244770 [0,0,0,1,0,0|2,0,0]=3 613 B10R1.113 O=C1CNC[C@H](C(=O)O)N1 Amb27398104 [0,0,0,1,0,0|2,0,0]=3 614 B10R1.113 O=C1COCC(C(=O)O)N1 Amb18862478 [0,0,0,1,0,0|2,0,0]=3 615 B10R1.113 O=C1COCC(C(=O)O)O1 Amb27209316 [0,0,0,1,0,0|1,0,0]=2 616 B10R1.113 O=C1COC[C@@H](C(=O)O)N1 Amb27164013 [0,0,0,1,0,0|2,0,0]=3 617 B10R1.113 O=C1CSCC(C(=O)O)N1 Amb2693036 [0,0,0,1,0,0|2,0,0]=3 618 B10R1.113 O=C1CSC[C@@H](C(=O)O)N1 Amb26516534 [0,0,0,1,0,0|2,0,0]=3 619 B10R1.113 O=C1CSC[C@H](C(=O)O)N1 Amb27667984 [0,0,0,1,0,0|2,0,0]=3 620 B10R1.113 O=C1NC(C(=O)O)CCO1 Amb28121893 [0,0,0,1,0,0|2,0,0]=3 621 B10R1.113 O=C1NC(C(=O)O)CCS1 Amb28342373 [0,0,0,1,0,0|2,0,0]=3 622 B10R1.126 O=C(O)CCCCC1CC1 Amb24480443 [0,0,0,1,0,0|2,0,1]=4 623 B10R1.128 CC1(C)CCCC1C(=O)O Amb33544581 [0,0,0,1,0,0|2,0,1]=4 624 B10R1.128 CC1(N)CCCC1C(=O)O Amb27668891 [0,0,0,1,0,0|2,0,1]=4 625 B10R1.128 CC1(O)CCCC1C(=O)O Amb27617025 [0,0,0,1,0,0|1,0,1]=3 626 B10R1.128 C[C@@]1(N)CCC[C@@H]1C(=O)O Amb1993790 [0,0,0,1,0,0|2,0,1]=4 627 B10R1.128 C[C@@]1(N)CCC[C@@H]1C(=O)O Amb1993898 [0,0,0,1,0,0|2,0,1]=4 628 B10R1.128 C[C@@]1(O)CCN[C@@H]1C(=O)O Amb26589014 [0,0,0,1,0,0|2,0,1]=4 629 B10R1.128 C[C@]1(N)CCC[C@H]1C(=O)O Amb26926411 [0,0,0,1,0,0|2,0,1]=4 630 B10R1.128 C[P@@]1(=O)CCC[C@@H]1C(=O)O Amb28457431 [0,0,0,1,0,0|2,0,0]=3 631 B10R1.128 NC(=O)C1CCCS1(=O)=O Amb35586113 [0,0,0,1,0,0|2,0,1]=4 632 B10R1.128 O=C(Cl)C1CCCS1(=O)=O Amb35639939 [0,0,0,1,0,0|2,0,1]=4 633 B10R1.128 O=C(O)C1CCCC1(F)F Amb23597493 [0,0,0,1,0,0|2,0,1]=4 634 B10R1.128 O=C(O)C1CCCS1(=O)=O Amb22886525 [0,0,0,1,0,0|1,0,1]=3 635 B10R1.128 O=C(O)C1CCNS1(=O)=O Amb27624775 [0,0,0,1,0,0|2,0,1]=4 636 B10R1.276 CC1(O)CCCCC(=O)C1 Amb27973609 [0,0,0,1,0,0|2,0,1]=4 637 B10R1.276 O=C1NCCCS(=O)(=O)O1 Amb27238592 [0,0,0,1,0,0|2,0,1]=4 638 B10R1.351 CC(=O)C[C@H]1CC[C@@]1(C)O Amb27854616 [0,0,0,1,0,0|2,0,1]=4 639 B10R1.351 O=C(O)CC1CCS1(=O)=O Amb28435286 [0,0,0,1,0,0|1,0,1]=3 640 B10R1.351 O=C(O)CN1CCS1(=O)=O Amb27267326 [0,0,0,1,0,0|2,0,1]=4 641 B10R1.352 CC1(C)CC1CCC(=O)O Amb25697470 [0,0,0,1,0,0|2,0,1]=4 642 B10R1.352 O=C(O)CCC1CC1(Cl)Cl Amb32664980 [0,0,0,1,0,0|2,0,1]=4 643 B10R1.352 O=C(O)CCC1CC1(F)F Amb28920883 [0,0,0,1,0,0|2,0,1]=4 644 B10R1.361 CC(=O)C1CCC1C(N)=O Amb26003688 [0,0,0,1,0,0|2,0,0]=3 645 B10R1.361 CC(=O)N1CCC1C(=O)O Amb24077473 [0,0,0,1,0,0|2,0,0]=3 646 B10R1.361 CC(=O)N1CCC1C(N)=O Amb33251169 [0,0,0,1,0,0|3,0,0]=4 647 B10R1.361 CC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28252580 [0,0,0,1,0,0|1,0,0]=2 648 B10R1.361 CC(=O)[C@H]1CC[C@@H]1C(N)=O Amb27436143 [0,0,0,1,0,0|2,0,0]=3 649 B10R1.361 CC(=O)[C@H]1CC[C@H]1C(C)=O Amb28461217 [0,0,0,1,0,0|2,0,0]=3 650 B10R1.361 CN(C)C1CCC1C(=O)O Amb28186056 [0,0,0,1,0,0|3,0,0]=4 651 B10R1.361 N=C(N)N1CCC1C(=O)O Amb27162049 [0,0,0,1,0,0|3,0,0]=4 652 B10R1.361 NC(=O)C1CCC1C(=O)O Amb26027341 [0,0,0,1,0,0|1,0,0]=2 653 B10R1.361 NC(=O)C1CCC1C(N)=O Amb25211720 [0,0,0,1,0,0|2,0,0]=3 654 B10R1.361 NC(=O)C1CCN1C(N)=O Amb33251995 [0,0,0,1,0,0|3,0,0]=4 655 B10R1.361 NC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb27216173 [0,0,0,1,0,0|1,0,0]=2 656 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(=O)O Amb24366239 [0,0,0,1,0,0|1,0,0]=2 657 B10R1.361 O=C(Cl)C1CCC1C(=O)Cl Amb22230444 [0,0,0,1,0,0|2,0,0]=3 658 B10R1.361 O=C(O)C1=C(C(=O)O)CC1 Amb24615623 [0,0,0,1,0,0|0,0,2]=3 659 B10R1.361 O=C(O)C1CCC1C(=O)Cl Amb24753887 [0,0,0,1,0,0|1,0,0]=2 660 B10R1.361 O=C(O)C1CCC1C(=O)O Amb19373431 [0,0,0,1,0,0|0,0,0]=1 661 B10R1.361 O=C(O)C1CCC1C(F)F Amb20669590 [0,0,0,1,0,0|2,0,1]=4 662 B10R1.361 O=C(O)[C@@H]1C=C[C@H]1C(=O)O Amb27469606 [0,0,0,1,0,0|0,0,2]=3 663 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Amb2609028 [0,0,0,1,0,0|0,0,0]=1 664 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(F)F Amb32675025 [0,0,0,1,0,0|2,0,1]=4 665 B10R1.361 O=C(O)[C@@H]1CN[C@H]1C(=O)O Amb25956288 [0,0,0,1,0,0|1,0,0]=2 666 B10R1.361 O=C(O)[C@H]1C=C[C@H]1C(=O)O Amb27831905 [0,0,0,1,0,0|0,0,2]=3 667 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O Amb25267014 [0,0,0,1,0,0|0,0,0]=1 668 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O Amb16230761 [0,0,0,1,0,0|0,0,0]=1 669 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(F)F Amb34916433 [0,0,0,1,0,0|2,0,1]=4 670 B10R1.361 O=C(O)[C@H]1CN[C@@H]1C(=O)O Amb25225066 [0,0,0,1,0,0|1,0,0]=2 671 B10R1.361 O=C(O)[C@H]1NC[C@H]1C(=O)O Amb26967619 [0,0,0,1,0,0|1,0,0]=2 672 B10R1.368 CC(=O)NC1CC1C(=O)O Amb18831601 [0,0,0,1,0,0|2,0,0]=3 673 B10R1.368 CC(=O)NC1CC1C(C)=O Amb18831758 [0,0,0,1,0,0|3,0,0]=4 674 B10R1.368 CC(=O)OC1CC1C(C)=O Amb27954052 [0,0,0,1,0,0|3,0,0]=4 675 B10R1.368 CC(C)=CC1CC1C(=O)O Amb28126961 [0,0,0,1,0,0|2,0,1]=4 676 B10R1.368 CC(C)=C[C@H]1C[C@@H]1C(=O)O Amb27627967 [0,0,0,1,0,0|2,0,1]=4 677 B10R1.368 CC(C)CC1CC1C(=O)O Amb18297987 [0,0,0,1,0,0|2,0,1]=4 678 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Amb28325147 [0,0,0,1,0,0|2,0,1]=4 679 B10R1.368 CN(C)[C@H]1C[C@H]1CC(=O)O Amb28056002 [0,0,0,1,0,0|3,0,0]=4 680 B10R1.368 O=C(O)C1CC1C=C(Cl)Cl Amb27841807 [0,0,0,1,0,0|2,0,1]=4 681 B10R1.368 O=C(O)CC1OC1C(=O)O Amb28146420 [0,0,0,1,0,0|1,0,0]=2 682 B10R1.368 O=C(O)C[C@@H]1O[C@@H]1C(=O)O Amb27254162 [0,0,0,1,0,0|1,0,0]=2 683 B10R1.368 O=C(O)\C=C1\CC1C(=O)O Amb27216810 [0,0,0,1,0,0|0,0,2]=3 684 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [0,0,0,0,1,0|2,0,0]=3 685 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [0,0,0,0,1,0|3,0,0]=4 686 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [0,0,0,0,1,0|3,0,0]=4 687 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [0,0,0,0,1,0|3,0,0]=4 688 B8R0.28 C=C(Cl)CCCC(N)=O Amb27253854 [0,0,0,0,1,0|3,0,0]=4 689 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [0,0,0,0,1,0|2,0,0]=3 690 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,1,0|1,0,0]=2 691 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,0,0,0,1,0|2,0,0]=3 692 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,0,0,0,1,0|2,0,0]=3 693 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [0,0,0,0,1,0|2,0,1]=4 694 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [0,0,0,0,1,0|3,0,0]=4 695 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [0,0,0,0,1,0|3,0,0]=4 696 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [0,0,0,0,1,0|2,0,0]=3 697 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [0,0,0,0,1,0|2,0,1]=4 698 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [0,0,0,0,1,0|3,0,0]=4 699 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [0,0,0,0,1,0|2,0,0]=3 700 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [0,0,0,0,1,0|3,0,0]=4 701 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [0,0,0,0,1,0|3,0,0]=4 702 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [0,0,0,0,1,0|3,0,0]=4 703 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [0,0,0,0,1,0|2,0,0]=3 704 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [0,0,0,0,1,0|3,0,0]=4 705 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [0,0,0,0,1,0|3,0,0]=4 706 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [0,0,0,0,1,0|2,0,0]=3 707 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [0,0,0,0,1,0|1,0,2]=4 708 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [0,0,0,0,1,0|2,0,1]=4 709 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [0,0,0,0,1,0|2,0,1]=4 710 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [0,0,0,0,1,0|2,0,1]=4 711 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [0,0,0,0,1,0|2,0,1]=4 712 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [0,0,0,0,1,0|2,0,1]=4 713 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [0,0,0,0,1,0|1,0,1]=3 714 B8R0.28 CC(O)CCCC(=O)[O-] Amb17615415 [0,0,0,0,1,0|1,0,2]=4 715 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [0,0,0,0,1,0|2,0,1]=4 716 B8R0.28 CC(O)COCC(=O)O Amb27968624 [0,0,0,0,1,0|2,0,1]=4 717 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [0,0,0,0,1,0|2,0,1]=4 718 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [0,0,0,0,1,0|3,0,0]=4 719 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [0,0,0,0,1,0|3,0,0]=4 720 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [0,0,0,0,1,0|3,0,0]=4 721 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [0,0,0,0,1,0|3,0,0]=4 722 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [0,0,0,0,1,0|3,0,0]=4 723 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [0,0,0,0,1,0|3,0,0]=4 724 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [0,0,0,0,1,0|1,0,0]=2 725 B8R0.28 NC(=O)CCC[N+](=O)[O-] Amb22432425 [0,0,0,0,1,0|2,0,1]=4 726 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [0,0,0,0,1,0|3,0,0]=4 727 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [0,0,0,0,1,0|3,0,0]=4 728 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [0,0,0,0,1,0|2,0,0]=3 729 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [0,0,0,0,1,0|3,0,0]=4 730 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,1,0|2,0,0]=3 731 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [0,0,0,0,1,0|3,0,0]=4 732 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [0,0,0,0,1,0|2,0,0]=3 733 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [0,0,0,0,1,0|3,0,0]=4 734 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [0,0,0,0,1,0|2,0,0]=3 735 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [0,0,0,0,1,0|1,1,0]=3 736 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [0,0,0,0,1,0|2,1,0]=4 737 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [0,0,0,0,1,0|2,1,0]=4 738 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [0,0,0,0,1,0|2,0,0]=3 739 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [0,0,0,0,1,0|3,0,0]=4 740 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [0,0,0,0,1,0|0,0,3]=4 741 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,0,0,0,1,0|0,0,0]=1 742 B8R0.28 O=C(O)CCCC(F)F Amb24117996 [0,0,0,0,1,0|2,0,1]=4 743 B8R0.28 O=C(O)CCCN(Cl)Cl Amb28313437 [0,0,0,0,1,0|3,0,0]=4 744 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [0,0,0,0,1,0|1,0,1]=3 745 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [0,0,0,0,1,0|2,0,1]=4 746 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [0,0,0,0,1,0|1,0,0]=2 747 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [0,0,0,0,1,0|1,0,0]=2 748 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [0,0,0,0,1,0|1,0,0]=2 749 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,0,0,0,1,0|0,0,2]=3 750 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,0,0,0,1,0|0,0,2]=3 751 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [0,0,0,0,1,0|1,0,1]=3 752 B10R0.97 C=C(Br)CCCCCC(=O)O Amb6299586 [0,0,0,0,0,1|2,0,0]=3 753 B10R0.97 C=C(C)CCCCCC(=O)O Amb6299589 [0,0,0,0,0,1|2,0,0]=3 754 B10R0.97 C=C(Cl)CCCCCC(=O)O Amb6299582 [0,0,0,0,0,1|2,0,0]=3 755 B10R0.97 C=C(F)CCCCCC(=O)O Amb22641493 [0,0,0,0,0,1|2,0,0]=3 756 B10R0.97 CC(=O)CCCCCC(=O)O Amb3939939 [0,0,0,0,0,1|1,0,0]=2 757 B10R0.97 CC(=O)NCCCCC(=O)O Amb22330473 [0,0,0,0,0,1|1,0,0]=2 758 B10R0.97 CC(=O)NCCCNC(C)=O Amb17918643 [0,0,0,0,0,1|3,0,0]=4 759 B10R0.97 CC(=O)NCCOCC(=O)O Amb24271178 [0,0,0,0,0,1|2,0,0]=3 760 B10R0.97 CC(=O)NCSCCC(=O)O Amb3941448 [0,0,0,0,0,1|2,0,0]=3 761 B10R0.97 CC(=O)OCCCOC(C)=O Amb2720949 [0,0,0,0,0,1|3,0,0]=4 762 B10R0.97 CC(=O)SCC#CCC(=O)O Amb27650559 [0,0,0,0,0,1|1,0,2]=4 763 B10R0.97 CC(C)CCCCCC(=O)O Amb16232096 [0,0,0,0,0,1|2,0,1]=4 764 B10R0.97 CC(C)CCCOCC(=O)O Amb7790013 [0,0,0,0,0,1|2,0,1]=4 765 B10R0.97 CC(C)CCNCCC(=O)O Amb1110986 [0,0,0,0,0,1|2,0,1]=4 766 B10R0.97 CC(C)CNCCCC(=O)O Amb6252909 [0,0,0,0,0,1|2,0,1]=4 767 B10R0.97 CC(C)OCCCCC(=O)O Amb9207794 [0,0,0,0,0,1|2,0,1]=4 768 B10R0.97 CC(O)CCCCCC(=O)O Amb24117232 [0,0,0,0,0,1|1,0,1]=3 769 B10R0.97 CN(C)CCCCCC(=O)O Amb31307243 [0,0,0,0,0,1|3,0,0]=4 770 B10R0.97 CN(C)CCCCCC(=O)O Amb32410704 [0,0,0,0,0,1|3,0,0]=4 771 B10R0.97 CN(C)CCNCCC(=O)O Amb7755723 [0,0,0,0,0,1|3,0,0]=4 772 B10R0.97 CN(C)CCOCCC(=O)O Amb33483275 [0,0,0,0,0,1|3,0,0]=4 773 B10R0.97 CN(C)CCOCCC(=O)O Amb33607443 [0,0,0,0,0,1|3,0,0]=4 774 B10R0.97 C[C@H](O)CC#CCCC(=O)O Amb27241370 [0,0,0,0,0,1|1,0,2]=4 775 B10R0.97 N=C(N)NCCCCC(=O)O Amb23523074 [0,0,0,0,0,1|2,0,0]=3 776 B10R0.97 NC(=O)CCSCCC(N)=O Amb2724673 [0,0,0,0,0,1|2,0,0]=3 777 B10R0.97 NC(=O)NCCCCC(=O)O Amb1154252 [0,0,0,0,0,1|1,0,0]=2 778 B10R0.97 O=C(Cl)CCCCCC(=O)Cl Amb13777316 [0,0,0,0,0,1|2,0,0]=3 779 B10R0.97 O=C(O)CCCCCB(O)O Amb32661475 [0,0,0,0,0,1|1,0,1]=3 780 B10R0.97 O=C(O)CCCCCC(=O)O Amb2720869 [0,0,0,0,0,1|0,0,0]=1 781 B10R0.97 O=C(O)CCCSCC(=O)O Amb17501146 [0,0,0,0,0,1|0,0,0]=1 782 B10R0.97 O=C(O)CCNCCC(=O)O Amb2694954 [0,0,0,0,0,1|0,0,0]=1 783 B10R0.97 O=C(O)CCOCCC(=O)O Amb24057717 [0,0,0,0,0,1|0,0,0]=1 784 B10R0.97 O=C(O)CCSCCC(=O)O Amb4138554 [0,0,0,0,0,1|0,0,0]=1 785 B10R0.97 O=C(O)CSCSCC(=O)O Amb1144944 [0,0,0,0,0,1|1,0,0]=2 786 B10R0.97 O=C(O)\C=C\C=C\CC(=O)O Amb27990006 [0,0,0,0,0,1|0,0,3]=4 787 B7R0.1 C=CCCCCC=O Amb9785164 [2,0,0,0,0,0|1,0,0]=3 788 B7R0.1 C=CCCCCCO Amb4017321 [2,0,0,0,0,0|1,0,1]=4 789 B7R0.1 C=CCOCCC=O Amb26516382 [2,0,0,0,0,0|2,0,0]=4 790 B7R0.1 CCCCCCC=O Amb3939948 [2,0,0,0,0,0|1,0,1]=4 791 B7R0.1 COCCCCC=O Amb27410175 [2,0,0,0,0,0|2,0,0]=4 792 B7R0.1 CSCCCCC=O Amb25760866 [2,0,0,0,0,0|2,0,0]=4 793 B7R0.1 N#CCCCCC=O Amb17593149 [2,0,0,0,0,0|1,0,1]=4 794 B7R0.1 O=CCCCCC=O Amb17593185 [2,0,0,0,0,0|0,0,0]=2 795 B7R0.1 O=CCCCCCBr Amb18127461 [2,0,0,0,0,0|1,0,1]=4 796 B7R0.1 O=CCCCCCCl Amb16185781 [2,0,0,0,0,0|1,0,1]=4 797 B7R0.1 O=CCCCCCF Amb24533888 [2,0,0,0,0,0|1,0,1]=4 798 B7R0.1 O=CCCCCCO Amb18641885 [2,0,0,0,0,0|0,0,1]=3 799 B7R0.1 O=CCCOCCO Amb18641946 [2,0,0,0,0,0|1,0,1]=4 800 B7R0.1 O=CCSCCCO Amb27871143 [2,0,0,0,0,0|1,0,1]=4 801 B7R0.1 O=CCSSCC=O Amb27169089 [2,0,0,0,0,0|2,0,0]=4 802 B7R0.1 O=CC\C=C\CC=O Amb26402388 [2,0,0,0,0,0|0,0,2]=4 803 B7R0.1 O=CNCCCCO Amb28187191 [2,0,0,0,0,0|1,0,1]=4 804 B7R0.1 O=CNCCNC=O Amb1043861 [2,0,0,0,0,0|2,0,0]=4 805 B7R0.1 O=COCCOC=O Amb2721136 [2,0,0,0,0,0|2,0,0]=4 806 B7R0.1 O=C\C=C\CCC=O Amb18124241 [2,0,0,0,0,0|0,0,2]=4 807 B7R0.1 OCCCCCCO Amb6869970 [2,0,0,0,0,0|0,0,2]=4 808 B7R0.4 C#CCCCC(=O)O Amb2721705 [2,0,0,0,0,0|0,0,2]=4 809 B7R0.4 C=C(C)CCCCO Amb26872404 [2,0,0,0,0,0|2,0,0]=4 810 B7R0.4 C=C(Cl)CCCC=O Amb27751311 [2,0,0,0,0,0|2,0,0]=4 811 B7R0.4 C=C(F)CCCCO Amb22641473 [2,0,0,0,0,0|2,0,0]=4 812 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [2,0,0,0,0,0|1,0,1]=4 813 B7R0.4 C=CCCCC(=O)O Amb3941675 [2,0,0,0,0,0|0,0,1]=3 814 B7R0.4 C=CCCCC(C)=O Amb17593171 [2,0,0,0,0,0|1,0,1]=4 815 B7R0.4 C=CCNCC(=O)O Amb7766404 [2,0,0,0,0,0|1,0,1]=4 816 B7R0.4 C=CCNCC(=O)O Amb8631497 [2,0,0,0,0,0|1,0,1]=4 817 B7R0.4 C=CCOCC(=O)O Amb9208694 [2,0,0,0,0,0|1,0,1]=4 818 B7R0.4 C=CCSCC(=O)O Amb33526723 [2,0,0,0,0,0|1,0,1]=4 819 B7R0.4 C=CNCCC(=O)O Amb27429817 [2,0,0,0,0,0|1,0,1]=4 820 B7R0.4 C=COCCC(=O)O Amb28350126 [2,0,0,0,0,0|1,0,1]=4 821 B7R0.4 CC(=O)CCCCBr Amb16234126 [2,0,0,0,0,0|2,0,0]=4 822 B7R0.4 CC(=O)CCCCCl Amb3941549 [2,0,0,0,0,0|2,0,0]=4 823 B7R0.4 CC(=O)CCCCF Amb27490855 [2,0,0,0,0,0|2,0,0]=4 824 B7R0.4 CC(=O)CCCCN Amb27401218 [2,0,0,0,0,0|2,0,0]=4 825 B7R0.4 CC(=O)CCCCO Amb10603864 [2,0,0,0,0,0|1,0,0]=3 826 B7R0.4 CC(=O)COCCO Amb28122841 [2,0,0,0,0,0|2,0,0]=4 827 B7R0.4 CC(=O)CSCCO Amb4165952 [2,0,0,0,0,0|2,0,0]=4 828 B7R0.4 CC(=O)NCCC=O Amb17102165 [2,0,0,0,0,0|2,0,0]=4 829 B7R0.4 CC(=O)NCCCO Amb3429354 [2,0,0,0,0,0|2,0,0]=4 830 B7R0.4 CC(=O)OCCCO Amb25854267 [2,0,0,0,0,0|2,0,0]=4 831 B7R0.4 CC(=O)SCCC=O Amb25101351 [2,0,0,0,0,0|2,0,0]=4 832 B7R0.4 CC(O)CCCC=O Amb18641887 [2,0,0,0,0,0|1,0,1]=4 833 B7R0.4 CC(O)CCCCO Amb22227757 [2,0,0,0,0,0|1,0,1]=4 834 B7R0.4 CCCCCC(=O)F Amb26061517 [2,0,0,0,0,0|1,0,1]=4 835 B7R0.4 CCCCCC(=O)O Amb3939846 [2,0,0,0,0,0|0,0,1]=3 836 B7R0.4 CCCCCC(=O)[O-] Amb22337624 [2,0,0,0,0,0|0,0,2]=4 837 B7R0.4 CCCCCC(C)=O Amb6608885 [2,0,0,0,0,0|1,0,1]=4 838 B7R0.4 CCCNCC(=O)O Amb10609640 [2,0,0,0,0,0|1,0,1]=4 839 B7R0.4 CCCNCC(=O)O Amb1110628 [2,0,0,0,0,0|1,0,1]=4 840 B7R0.4 CCCOCC(=O)O Amb8874504 [2,0,0,0,0,0|1,0,1]=4 841 B7R0.4 CCCSCC(=O)O Amb1137113 [2,0,0,0,0,0|1,0,1]=4 842 B7R0.4 CCNCCC(=O)O Amb28934794 [2,0,0,0,0,0|1,0,1]=4 843 B7R0.4 CCNCCC(=O)O Amb7766402 [2,0,0,0,0,0|1,0,1]=4 844 B7R0.4 CCOCCC(=O)O Amb3939859 [2,0,0,0,0,0|1,0,1]=4 845 B7R0.4 CCSCCC(=O)O Amb6273140 [2,0,0,0,0,0|1,0,1]=4 846 B7R0.4 CNCCCC(=O)O Amb1153115 [2,0,0,0,0,0|1,0,1]=4 847 B7R0.4 CNCCCC(=O)O Amb4521435 [2,0,0,0,0,0|1,0,1]=4 848 B7R0.4 COCCCC(=O)O Amb6275629 [2,0,0,0,0,0|1,0,1]=4 849 B7R0.4 CSCCCC(=O)O Amb17503622 [2,0,0,0,0,0|1,0,1]=4 850 B7R0.4 C[C@H](O)CCCCO Amb28381637 [2,0,0,0,0,0|1,0,1]=4 851 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [2,0,0,0,0,0|1,0,1]=4 852 B7R0.4 N#CCCCC(=O)O Amb33542831 [2,0,0,0,0,0|1,0,1]=4 853 B7R0.4 NC(=O)CCCCBr Amb27875083 [2,0,0,0,0,0|2,0,0]=4 854 B7R0.4 NC(=O)CCCCCl Amb7782532 [2,0,0,0,0,0|2,0,0]=4 855 B7R0.4 NC(=O)CCCCO Amb3939470 [2,0,0,0,0,0|1,0,0]=3 856 B7R0.4 NC(=O)CCCCS Amb27839239 [2,0,0,0,0,0|1,1,0]=4 857 B7R0.4 NC(=O)CNCCO Amb6714605 [2,0,0,0,0,0|2,0,0]=4 858 B7R0.4 NC(=O)CSCCO Amb6754148 [2,0,0,0,0,0|2,0,0]=4 859 B7R0.4 NC(=O)NCCCO Amb9248133 [2,0,0,0,0,0|2,0,0]=4 860 B7R0.4 NCCCCC(=O)Cl Amb26599615 [2,0,0,0,0,0|2,0,0]=4 861 B7R0.4 NCCCCC(=O)O Amb2780021 [2,0,0,0,0,0|1,0,0]=3 862 B7R0.4 NCCCCC(=O)O Amb3941646 [2,0,0,0,0,0|1,0,0]=3 863 B7R0.4 NCCCCC(=O)O Amb9825855 [2,0,0,0,0,0|1,0,0]=3 864 B7R0.4 NCCCCC(N)=O Amb18641897 [2,0,0,0,0,0|2,0,0]=4 865 B7R0.4 NCCCCC(N)=O Amb33552086 [2,0,0,0,0,0|2,0,0]=4 866 B7R0.4 NCCCCS(=O)O Amb27882127 [2,0,0,0,0,0|2,0,0]=4 867 B7R0.4 NCCCNC(=O)O Amb24093884 [2,0,0,0,0,0|2,0,0]=4 868 B7R0.4 NCCNCC(=O)O Amb17608063 [2,0,0,0,0,0|2,0,0]=4 869 B7R0.4 NCCNCC(=O)O Amb33339058 [2,0,0,0,0,0|2,0,0]=4 870 B7R0.4 NCCOCC(=O)O Amb18630146 [2,0,0,0,0,0|2,0,0]=4 871 B7R0.4 NCCOCC(=O)O Amb33550947 [2,0,0,0,0,0|2,0,0]=4 872 B7R0.4 NCCSCC(=O)O Amb17500446 [2,0,0,0,0,0|2,0,0]=4 873 B7R0.4 NCCSCC(=O)O Amb20622325 [2,0,0,0,0,0|2,0,0]=4 874 B7R0.4 NOCCCC(=O)O Amb10975956 [2,0,0,0,0,0|2,0,0]=4 875 B7R0.4 NOCCCC(=O)O Amb22011795 [2,0,0,0,0,0|2,0,0]=4 876 B7R0.4 NOCCCC(=O)O Amb31283653 [2,0,0,0,0,0|2,0,0]=4 877 B7R0.4 O=C(Cl)CCCCBr Amb2685557 [2,0,0,0,0,0|2,0,0]=4 878 B7R0.4 O=C(Cl)CCCCCl Amb6296596 [2,0,0,0,0,0|2,0,0]=4 879 B7R0.4 O=C(O)C#CCCO Amb25844914 [2,0,0,0,0,0|0,0,2]=4 880 B7R0.4 O=C(O)CCCCBr Amb6608763 [2,0,0,0,0,0|1,0,0]=3 881 B7R0.4 O=C(O)CCCCCl Amb3940369 [2,0,0,0,0,0|1,0,0]=3 882 B7R0.4 O=C(O)CCCCF Amb26639920 [2,0,0,0,0,0|1,0,0]=3 883 B7R0.4 O=C(O)CCCCO Amb9214971 [2,0,0,0,0,0|0,0,0]=2 884 B7R0.4 O=C(O)CCCCS Amb17503767 [2,0,0,0,0,0|0,1,0]=3 885 B7R0.4 O=C(O)CCCNCl Amb27173950 [2,0,0,0,0,0|2,0,0]=4 886 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [2,0,0,0,0,0|1,0,1]=4 887 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [2,0,0,0,0,0|1,0,1]=4 888 B7R0.4 O=C(O)CNCCF Amb28076282 [2,0,0,0,0,0|2,0,0]=4 889 B7R0.4 O=C(O)CNCCO Amb9325653 [2,0,0,0,0,0|1,0,0]=3 890 B7R0.4 O=C(O)COCCCl Amb21857870 [2,0,0,0,0,0|2,0,0]=4 891 B7R0.4 O=C(O)COCCF Amb27866609 [2,0,0,0,0,0|2,0,0]=4 892 B7R0.4 O=C(O)COCCO Amb6680914 [2,0,0,0,0,0|1,0,0]=3 893 B7R0.4 O=C(O)CSCCCl Amb18644703 [2,0,0,0,0,0|2,0,0]=4 894 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [2,0,0,0,0,0|0,0,2]=4 895 B7R0.4 O=C([O-])CCCCF Amb33527827 [2,0,0,0,0,0|1,0,1]=4 896 B7R0.4 O=C([O-])CCCCO Amb13952763 [2,0,0,0,0,0|0,0,1]=3 897 B7R0.4 O=C([O-])CCCCO Amb22749314 [2,0,0,0,0,0|0,0,1]=3 898 B7R0.4 O=C([O-])COCCO Amb33553026 [2,0,0,0,0,0|1,0,1]=4 899 B7R0.4 O=C=NCCC(=O)O Amb26053417 [2,0,0,0,0,0|1,0,1]=4 900 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|0,0,0]=2 901 B7R0.4 O=CCCCC(O)O Amb25889261 [2,0,0,0,0,0|0,0,2]=4 902 B7R0.4 O=CNCCC(=O)O Amb18290434 [2,0,0,0,0,0|1,0,0]=3 903 B7R0.4 O=CNOCC(=O)O Amb27477273 [2,0,0,0,0,0|2,0,0]=4 904 B7R0.4 O=NSCCC(=O)O Amb28429846 [2,0,0,0,0,0|2,0,0]=4 905 B7R0.4 O=S([O-])CCCCO Amb27181023 [2,0,0,0,0,0|1,0,1]=4 906 B7R0.4 O=[N+]([O-])CCCCO Amb25739830 [2,0,0,0,0,0|1,0,1]=4 907 B7R0.4 OCCCCB(O)O Amb25351122 [2,0,0,0,0,0|1,0,1]=4 908 B9R0.1 C#CC(C)CCCC(=O)O Amb27273525 [1,1,0,0,0,0|1,0,1]=4 909 B9R0.1 C=C(C)CCC[C@H](C)C=O Amb27230540 [1,1,0,0,0,0|2,0,0]=4 910 B9R0.1 C=C(C=O)CCCC(C)=O Amb8392635 [1,1,0,0,0,0|1,0,1]=4 911 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [1,1,0,0,0,0|1,0,1]=4 912 B9R0.1 C=CC(C)CCCC(C)=O Amb27596967 [1,1,0,0,0,0|2,0,0]=4 913 B9R0.1 C=CC(C)COCC(=O)O Amb27831618 [1,1,0,0,0,0|2,0,0]=4 914 B9R0.1 C=CC(C)OCCC(=O)O Amb27404617 [1,1,0,0,0,0|2,0,0]=4 915 B9R0.1 C=C[C@@H](C)CCCC(C)=O Amb24379305 [1,1,0,0,0,0|2,0,0]=4 916 B9R0.1 CC(=O)CCC[C@@H](C)CO Amb26391997 [1,1,0,0,0,0|1,0,1]=4 917 B9R0.1 CC(=O)CCC[C@@H](Cl)C=O Amb28396498 [1,1,0,0,0,0|1,0,0]=3 918 B9R0.1 CC(=O)OCCC(C)C=O Amb28387659 [1,1,0,0,0,0|2,0,0]=4 919 B9R0.1 CC(=O)OCCC(Cl)C=O Amb28050881 [1,1,0,0,0,0|2,0,0]=4 920 B9R0.1 CC(C#N)CCCC(=O)O Amb18643710 [1,1,0,0,0,0|1,0,1]=4 921 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [1,1,0,0,0,0|0,0,0]=2 922 B9R0.1 CC(C=O)CCCS(C)=O Amb28142475 [1,1,0,0,0,0|2,0,0]=4 923 B9R0.1 CC(CN)CCCC(=O)O Amb27592530 [1,1,0,0,0,0|1,0,1]=4 924 B9R0.1 CC(CO)CNCC(=O)O Amb28246419 [1,1,0,0,0,0|1,0,1]=4 925 B9R0.1 CC(CO)COCC(=O)O Amb28280816 [1,1,0,0,0,0|1,0,1]=4 926 B9R0.1 CC(CO)CSCC(=O)O Amb28365901 [1,1,0,0,0,0|1,0,1]=4 927 B9R0.1 CCC(C)CCCC(=O)O Amb18124682 [1,1,0,0,0,0|1,0,1]=4 928 B9R0.1 CCC(O)CCCC(=O)O Amb18644263 [1,1,0,0,0,0|1,0,1]=4 929 B9R0.1 CC[C@H](C)CCCC(=O)O Amb28313011 [1,1,0,0,0,0|1,0,1]=4 930 B9R0.1 CN(CCCC(=O)O)N=O Amb17618588 [1,1,0,0,0,0|2,0,0]=4 931 B9R0.1 C\C(CCCC(=O)O)=N/O Amb27779283 [1,1,0,0,0,0|1,0,1]=4 932 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [1,1,0,0,0,0|0,0,1]=3 933 B9R0.1 NC[C@@H](N)CCCC(=O)O Amb33756779 [1,1,0,0,0,0|1,0,1]=4 934 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [1,1,0,0,0,0|0,0,1]=3 935 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [1,1,0,0,0,0|0,0,2]=4 936 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [1,1,0,0,0,0|1,0,1]=4 937 B9R0.1 O=C(O)CCCC(Cl)CCl Amb18649051 [1,1,0,0,0,0|1,0,1]=4 938 B9R0.1 O=CN(O)CCCC(=O)O Amb25320259 [1,1,0,0,0,0|1,0,0]=3 939 B9R0.2 C#CCCCCCC(=O)O Amb22232010 [1,1,0,0,0,0|1,0,1]=4 940 B9R0.2 C#CCCCSCC(=O)O Amb27984745 [1,1,0,0,0,0|1,0,1]=4 941 B9R0.2 C#CCCNCCC(=O)O Amb9326411 [1,1,0,0,0,0|1,0,1]=4 942 B9R0.2 C#CCCOCCC(=O)O Amb27406242 [1,1,0,0,0,0|1,0,1]=4 943 B9R0.2 C#CCOCCCC(=O)O Amb9208659 [1,1,0,0,0,0|1,0,1]=4 944 B9R0.2 C#CCSCCCC(=O)O Amb17503626 [1,1,0,0,0,0|1,0,1]=4 945 B9R0.2 C#C\C=C\CCCC(=O)O Amb27227921 [1,1,0,0,0,0|1,0,1]=4 946 B9R0.2 C=C(C)CCCOCC=O Amb27617165 [1,1,0,0,0,0|2,0,0]=4 947 B9R0.2 C=CCCCCCC(=O)O Amb6299579 [1,1,0,0,0,0|1,0,0]=3 948 B9R0.2 C=CCCCCCC(C)=O Amb33544200 [1,1,0,0,0,0|2,0,0]=4 949 B9R0.2 C=CCCCCNC(C)=O Amb27436512 [1,1,0,0,0,0|2,0,0]=4 950 B9R0.2 C=CCCCCOC(C)=O Amb10842183 [1,1,0,0,0,0|2,0,0]=4 951 B9R0.2 C=CCCCNCC(=O)O Amb28119977 [1,1,0,0,0,0|1,0,0]=3 952 B9R0.2 C=CCCCOCC(=O)O Amb27217276 [1,1,0,0,0,0|1,0,0]=3 953 B9R0.2 C=CCCCOCC(C)=O Amb27474466 [1,1,0,0,0,0|2,0,0]=4 954 B9R0.2 C=CCCCSCC(=O)O Amb27838988 [1,1,0,0,0,0|1,0,0]=3 955 B9R0.2 C=CCCNCCC(=O)O Amb27839020 [1,1,0,0,0,0|1,0,0]=3 956 B9R0.2 C=CCCOCCC(N)=O Amb27394496 [1,1,0,0,0,0|2,0,0]=4 957 B9R0.2 C=CCCSCCC(=O)O Amb28201215 [1,1,0,0,0,0|1,0,0]=3 958 B9R0.2 C=CCC\C=C\CC(=O)O Amb18643551 [1,1,0,0,0,0|1,0,1]=4 959 B9R0.2 C=CCOCCCC(=O)O Amb33531507 [1,1,0,0,0,0|1,0,0]=3 960 B9R0.2 C=CCOCCCC(C)=O Amb27590994 [1,1,0,0,0,0|2,0,0]=4 961 B9R0.2 C=CCOCCCC(N)=O Amb27629257 [1,1,0,0,0,0|2,0,0]=4 962 B9R0.2 C=CCSCCCC(=O)O Amb27392354 [1,1,0,0,0,0|1,0,0]=3 963 B9R0.2 C=CC\C=C\CCC(=O)O Amb18643540 [1,1,0,0,0,0|1,0,1]=4 964 B9R0.2 CC(=O)CCCCN=C=O Amb27838960 [1,1,0,0,0,0|1,0,1]=4 965 B9R0.2 CC(=O)CCCSCCO Amb9660259 [1,1,0,0,0,0|1,0,1]=4 966 B9R0.2 CC(=O)CNCCCC=O Amb24664343 [1,1,0,0,0,0|1,0,0]=3 967 B9R0.2 CC(=O)NCCCCC=O Amb24524516 [1,1,0,0,0,0|1,0,0]=3 968 B9R0.2 CC(=O)NCCCNC=O Amb28197455 [1,1,0,0,0,0|2,0,0]=4 969 B9R0.2 CC(=O)OCCCCC=O Amb26505388 [1,1,0,0,0,0|1,0,0]=3 970 B9R0.2 CC(=O)SCCCCC=O Amb27432569 [1,1,0,0,0,0|1,0,0]=3 971 B9R0.2 CC(C)=CCCCCC=O Amb18643636 [1,1,0,0,0,0|2,0,0]=4 972 B9R0.2 CCCCCCCC(=O)O Amb3940371 [1,1,0,0,0,0|1,0,1]=4 973 B9R0.2 CCCCCOCC(=O)O Amb8902706 [1,1,0,0,0,0|1,0,1]=4 974 B9R0.2 CCCCCSCC(=O)O Amb6249571 [1,1,0,0,0,0|1,0,1]=4 975 B9R0.2 CCCCNCCC(=O)O Amb7755713 [1,1,0,0,0,0|1,0,1]=4 976 B9R0.2 CCCCSCCC(=O)O Amb1032992 [1,1,0,0,0,0|1,0,1]=4 977 B9R0.2 CCCNCCCC(=O)O Amb1109953 [1,1,0,0,0,0|1,0,1]=4 978 B9R0.2 CCCOCCCC(=O)O Amb8874517 [1,1,0,0,0,0|1,0,1]=4 979 B9R0.2 CCCSCCCC(=O)O Amb6680215 [1,1,0,0,0,0|1,0,1]=4 980 B9R0.2 CCNCCCCC(=O)O Amb24385094 [1,1,0,0,0,0|1,0,1]=4 981 B9R0.2 CCNCCCCC(=O)O Amb32686610 [1,1,0,0,0,0|1,0,1]=4 982 B9R0.2 CCOCCCCC(=O)O Amb9207786 [1,1,0,0,0,0|1,0,1]=4 983 B9R0.2 CCSCCCCC(=O)O Amb7782874 [1,1,0,0,0,0|1,0,1]=4 984 B9R0.2 CNCCOCCC(=O)O Amb18111840 [1,1,0,0,0,0|2,0,0]=4 985 B9R0.2 CNCCSCCC(=O)O Amb27442544 [1,1,0,0,0,0|2,0,0]=4 986 B9R0.2 COCCCCCC(=O)O Amb10607872 [1,1,0,0,0,0|0,0,1]=3 987 B9R0.2 COCCCCCC(C)=O Amb27227265 [1,1,0,0,0,0|1,0,1]=4 988 B9R0.2 COCCCOCC(=O)O Amb25304314 [1,1,0,0,0,0|1,0,1]=4 989 B9R0.2 COCCNCCC(=O)O Amb33527038 [1,1,0,0,0,0|1,0,1]=4 990 B9R0.2 COCCNCCC(=O)O Amb7755691 [1,1,0,0,0,0|1,0,1]=4 991 B9R0.2 COCCOCCC(=O)O Amb6268336 [1,1,0,0,0,0|1,0,1]=4 992 B9R0.2 CS(=O)CCCCNC=O Amb27668912 [1,1,0,0,0,0|2,0,0]=4 993 B9R0.2 CS(=O)CCCC\C=N\O Amb22055821 [1,1,0,0,0,0|2,0,0]=4 994 B9R0.2 CSCCCCCC(=O)O Amb27444761 [1,1,0,0,0,0|0,1,1]=4 995 B9R0.2 CSCCCNCC(=O)O Amb8827601 [1,1,0,0,0,0|2,0,0]=4 996 B9R0.2 CSCCCOCC(=O)O Amb28042679 [1,1,0,0,0,0|2,0,0]=4 997 B9R0.2 CSCCNCCC(=O)O Amb25055507 [1,1,0,0,0,0|2,0,0]=4 998 B9R0.2 C[NH2+]CCCCCC(=O)O Amb9791271 [1,1,0,0,0,0|1,0,1]=4 999 B9R0.2 C\C=C\CCCCC(=O)O Amb18643887 [1,1,0,0,0,0|1,0,0]=3 1000 B9R0.2 C\C=C\CCCCC(C)=O Amb25252247 [1,1,0,0,0,0|2,0,0]=4 1001 B9R0.2 C\C=C\CCOCC(=O)O Amb28340908 [1,1,0,0,0,0|1,0,1]=4 1002 B9R0.2 N#CCCCCCC(=O)O Amb18643705 [1,1,0,0,0,0|1,0,1]=4 1003 B9R0.2 N#CCCCSCC(=O)O Amb1109771 [1,1,0,0,0,0|1,0,1]=4 1004 B9R0.2 N#CCCNCCC(=O)O Amb17315318 [1,1,0,0,0,0|1,0,1]=4 1005 B9R0.2 N#CCCSCCC(=O)O Amb18927741 [1,1,0,0,0,0|1,0,1]=4 1006 B9R0.2 N#CCSCCCC(=O)O Amb17501766 [1,1,0,0,0,0|1,0,1]=4 1007 B9R0.2 NC(=O)CCCCNC=O Amb27232578 [1,1,0,0,0,0|1,0,0]=3 1008 B9R0.2 NC(=O)CCNCCCO Amb19959936 [1,1,0,0,0,0|1,0,1]=4 1009 B9R0.2 NC(=O)CCNCCCO Amb9243308 [1,1,0,0,0,0|1,0,1]=4 1010 B9R0.2 NC(=O)CCSCCCO Amb27615089 [1,1,0,0,0,0|1,0,1]=4 1011 B9R0.2 NC(=O)COCCCCO Amb27195620 [1,1,0,0,0,0|1,0,1]=4 1012 B9R0.2 NCCCCCCC(=O)O Amb1151254 [1,1,0,0,0,0|1,0,1]=4 1013 B9R0.2 NCCCCCCC(=O)O Amb16232099 [1,1,0,0,0,0|1,0,1]=4 1014 B9R0.2 NCCCCNCC(=O)O Amb27800960 [1,1,0,0,0,0|1,0,1]=4 1015 B9R0.2 NCCCCSCC(=O)O Amb17500919 [1,1,0,0,0,0|1,0,1]=4 1016 B9R0.2 NCCCNCCC(=O)O Amb27959846 [1,1,0,0,0,0|1,0,1]=4 1017 B9R0.2 NCCCOCCC(=O)O Amb18111494 [1,1,0,0,0,0|1,0,1]=4 1018 B9R0.2 NCCCSCCC(=O)O Amb24496605 [1,1,0,0,0,0|1,0,1]=4 1019 B9R0.2 NCCOCCCC(=O)O Amb18111467 [1,1,0,0,0,0|1,0,1]=4 1020 B9R0.2 NCCSCCCC(=O)O Amb17500468 [1,1,0,0,0,0|1,0,1]=4 1021 B9R0.2 NOCCCCCC(=O)O Amb32708458 [1,1,0,0,0,0|0,0,1]=3 1022 B9R0.2 O=C(O)C#CCCCCO Amb28050129 [1,1,0,0,0,0|0,0,2]=4 1023 B9R0.2 O=C(O)CCCC#CCO Amb27391720 [1,1,0,0,0,0|0,0,2]=4 1024 B9R0.2 O=C(O)CCCCCCBr Amb10071514 [1,1,0,0,0,0|1,0,1]=4 1025 B9R0.2 O=C(O)CCCCCCCl Amb17594087 [1,1,0,0,0,0|1,0,1]=4 1026 B9R0.2 O=C(O)CCCCCCF Amb25132501 [1,1,0,0,0,0|1,0,1]=4 1027 B9R0.2 O=C(O)CCCCCCO Amb9787028 [1,1,0,0,0,0|0,0,1]=3 1028 B9R0.2 O=C(O)CCCCCCS Amb24710334 [1,1,0,0,0,0|0,1,1]=4 1029 B9R0.2 O=C(O)CCCCCNBr Amb28054088 [1,1,0,0,0,0|1,0,1]=4 1030 B9R0.2 O=C(O)CCCCN=C=S Amb25685363 [1,1,0,0,0,0|0,1,1]=4 1031 B9R0.2 O=C(O)CCCC\C=C\Br Amb26542054 [1,1,0,0,0,0|1,0,0]=3 1032 B9R0.2 O=C(O)CCCNCCO Amb9333522 [1,1,0,0,0,0|0,0,1]=3 1033 B9R0.2 O=C(O)CCCOCCO Amb6680919 [1,1,0,0,0,0|0,0,1]=3 1034 B9R0.2 O=C(O)CCCSCCF Amb27614997 [1,1,0,0,0,0|1,0,1]=4 1035 B9R0.2 O=C(O)CCCSCCO Amb9481728 [1,1,0,0,0,0|0,0,1]=3 1036 B9R0.2 O=C(O)CCC\C=C/CO Amb27425001 [1,1,0,0,0,0|0,0,1]=3 1037 B9R0.2 O=C(O)CCNCCCF Amb28049536 [1,1,0,0,0,0|1,0,1]=4 1038 B9R0.2 O=C(O)CCNCCCO Amb9239888 [1,1,0,0,0,0|0,0,1]=3 1039 B9R0.2 O=C(O)CCNC\C=C\Cl Amb9326418 [1,1,0,0,0,0|1,0,1]=4 1040 B9R0.2 O=C(O)CCOCCCO Amb24476864 [1,1,0,0,0,0|0,0,1]=3 1041 B9R0.2 O=C(O)CCSCCCCl Amb26421708 [1,1,0,0,0,0|1,0,1]=4 1042 B9R0.2 O=C(O)CCSCCCF Amb27251653 [1,1,0,0,0,0|1,0,1]=4 1043 B9R0.2 O=C(O)CCSSCCO Amb17615366 [1,1,0,0,0,0|1,0,1]=4 1044 B9R0.2 O=C(O)CNCCCCO Amb28063278 [1,1,0,0,0,0|0,0,1]=3 1045 B9R0.2 O=C(O)COCCCCF Amb27770553 [1,1,0,0,0,0|1,0,1]=4 1046 B9R0.2 O=C(O)COCCCCO Amb27465121 [1,1,0,0,0,0|0,0,1]=3 1047 B9R0.2 O=C(O)CSCCCCCl Amb27165750 [1,1,0,0,0,0|1,0,1]=4 1048 B9R0.2 O=C(O)CSCCCCF Amb28062594 [1,1,0,0,0,0|1,0,1]=4 1049 B9R0.2 O=C=NCCCCC(=O)O Amb24505309 [1,1,0,0,0,0|0,0,1]=3 1050 B9R0.2 O=C=NCCOCC(=O)O Amb33471387 [1,1,0,0,0,0|1,0,1]=4 1051 B9R0.2 O=C=NCCSCC(=O)O Amb33471480 [1,1,0,0,0,0|1,0,1]=4 1052 B9R0.2 O=CCCCCCC(=O)O Amb26548890 [1,1,0,0,0,0|0,0,0]=2 1053 B9R0.2 O=CNCCSCC(=O)O Amb28399802 [1,1,0,0,0,0|1,0,0]=3 1054 B9R0.2 O=COC\C=C\CC(=O)O Amb27619648 [1,1,0,0,0,0|0,0,2]=4 1055 B9R0.2 [N-]=[N+]=NCCCCC(=O)O Amb19516609 [1,1,0,0,0,0|2,0,0]=4 1056 B9R0.4 C=CCCC(C)CC(C)=O Amb24738371 [1,1,0,0,0,0|2,0,0]=4 1057 B9R0.4 C=CCCC(N)CC(=O)O Amb22641959 [1,1,0,0,0,0|1,0,0]=3 1058 B9R0.4 C=CCCC(N)CC(=O)O Amb31307612 [1,1,0,0,0,0|1,0,0]=3 1059 B9R0.4 C=CCCC(N)CC(N)=O Amb25367476 [1,1,0,0,0,0|2,0,0]=4 1060 B9R0.4 C=CCCS(=O)CC(=O)O Amb27408561 [1,1,0,0,0,0|2,0,0]=4 1061 B9R0.4 C=CCC[C@@H](C)CC(=O)O Amb27390713 [1,1,0,0,0,0|1,0,0]=3 1062 B9R0.4 C=CCC[C@@H](O)CC(C)=O Amb28122093 [1,1,0,0,0,0|2,0,0]=4 1063 B9R0.4 C=CCC[C@H](N)CC(=O)O Amb10066917 [1,1,0,0,0,0|1,0,0]=3 1064 B9R0.4 CC(=O)CC(C)CCC=O Amb27838122 [1,1,0,0,0,0|1,0,0]=3 1065 B9R0.4 CC(CC(=O)O)NCCO Amb9398895 [1,1,0,0,0,0|1,0,1]=4 1066 B9R0.4 CC(CC(=O)O)SCCO Amb9481722 [1,1,0,0,0,0|1,0,1]=4 1067 B9R0.4 CC(CCC=O)CC(=O)O Amb28251065 [1,1,0,0,0,0|0,0,0]=2 1068 B9R0.4 CC(CCCCl)CC(=O)O Amb18646190 [1,1,0,0,0,0|1,0,1]=4 1069 B9R0.4 CC(CCCO)CC(=O)O Amb28050163 [1,1,0,0,0,0|0,0,1]=3 1070 B9R0.4 CC(CCCS)CC(=O)O Amb27443015 [1,1,0,0,0,0|0,1,1]=4 1071 B9R0.4 CCCCC(C)CC(=O)O Amb6740296 [1,1,0,0,0,0|1,0,1]=4 1072 B9R0.4 CCCCC(N)CC(=O)O Amb1993866 [1,1,0,0,0,0|1,0,1]=4 1073 B9R0.4 CCCCC(N)CC(=O)O Amb31307613 [1,1,0,0,0,0|1,0,1]=4 1074 B9R0.4 CCCCC(O)CC(=O)O Amb22388888 [1,1,0,0,0,0|1,0,1]=4 1075 B9R0.4 CCCC[C@@H](C)CC(=O)O Amb25887593 [1,1,0,0,0,0|1,0,1]=4 1076 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb26612752 [1,1,0,0,0,0|1,0,1]=4 1077 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb32663769 [1,1,0,0,0,0|1,0,1]=4 1078 B9R0.4 CCCC[C@@H](O)CC(=O)O Amb24350627 [1,1,0,0,0,0|1,0,1]=4 1079 B9R0.4 CCCC[C@H](C)CC(=O)O Amb27424971 [1,1,0,0,0,0|1,0,1]=4 1080 B9R0.4 CCCC[C@H](N)CC(=O)O Amb27154618 [1,1,0,0,0,0|1,0,1]=4 1081 B9R0.4 CNCC[C@@H](N)CC(=O)O Amb24117036 [1,1,0,0,0,0|2,0,0]=4 1082 B9R0.4 COCCC(C)CC(=O)O Amb27973352 [1,1,0,0,0,0|2,0,0]=4 1083 B9R0.4 COCCC(N)CC(=O)O Amb32687893 [1,1,0,0,0,0|2,0,0]=4 1084 B9R0.4 COCCC(O)CC(=O)O Amb33377806 [1,1,0,0,0,0|2,0,0]=4 1085 B9R0.4 COCC[C@@H](O)CC(=O)O Amb33377805 [1,1,0,0,0,0|2,0,0]=4 1086 B9R0.4 COCC[C@H](O)CC(=O)O Amb33377804 [1,1,0,0,0,0|2,0,0]=4 1087 B9R0.4 CSCCC(C)CC(=O)O Amb26651819 [1,1,0,0,0,0|2,0,0]=4 1088 B9R0.4 CSCCC(N)CC(=O)O Amb22353181 [1,1,0,0,0,0|2,0,0]=4 1089 B9R0.4 CSCCC(N)CC(=O)O Amb30666600 [1,1,0,0,0,0|2,0,0]=4 1090 B9R0.4 CSCCC(O)CC(=O)O Amb18798349 [1,1,0,0,0,0|2,0,0]=4 1091 B9R0.4 CSCC[C@@H](N)CC(=O)O Amb26930581 [1,1,0,0,0,0|2,0,0]=4 1092 B9R0.4 CSCC[C@@H](O)CC(=O)O Amb33198734 [1,1,0,0,0,0|2,0,0]=4 1093 B9R0.4 CSCC[C@H](N)CC(=O)O Amb16184019 [1,1,0,0,0,0|2,0,0]=4 1094 B9R0.4 CSCC[C@H](O)CC(=O)O Amb33198733 [1,1,0,0,0,0|2,0,0]=4 1095 B9R0.4 C[C@@H](CCC=O)CC(=O)O Amb27614920 [1,1,0,0,0,0|0,0,0]=2 1096 B9R0.4 C\C=C/C[C@@H](O)CC(=O)O Amb28050083 [1,1,0,0,0,0|1,0,1]=4 1097 B9R0.4 NCCCC(N)CC(=O)O Amb18644278 [1,1,0,0,0,0|1,0,1]=4 1098 B9R0.4 NCCCC(N)CC(=O)O Amb32753541 [1,1,0,0,0,0|1,0,1]=4 1099 B9R0.4 NCCC[C@@H](N)CC(=O)O Amb24117039 [1,1,0,0,0,0|1,0,1]=4 1100 B9R0.4 NCCC[C@@H](N)CC(=O)O Amb24117927 [1,1,0,0,0,0|1,0,1]=4 1101 B9R0.4 NCCC[C@H](N)CC(=O)O Amb25757485 [1,1,0,0,0,0|1,0,1]=4 1102 B9R0.4 NCCC[C@H](N)CC(=O)O Amb32684506 [1,1,0,0,0,0|1,0,1]=4 1103 B9R0.38 CC(C)(O)CCCCC=O Amb28049929 [1,1,0,0,0,0|1,0,1]=4 1104 B9R0.38 O=CCCCCS(=O)(=O)[O-] Amb27226993 [1,1,0,0,0,0|1,0,1]=4 1105 B9R0.46 C#CCCCCC(=O)NO Amb28049733 [1,1,0,0,0,0|1,0,1]=4 1106 B9R0.46 C#CCCCCC(=O)OC Amb18636156 [1,1,0,0,0,0|1,0,1]=4 1107 B9R0.46 C=C(C=O)CCCCC=O Amb28049873 [1,1,0,0,0,0|1,0,0]=3 1108 B9R0.46 C=CCCCCC(=C)C=O Amb27622105 [1,1,0,0,0,0|2,0,0]=4 1109 B9R0.46 C=CCCCCC(=O)OC Amb27617093 [1,1,0,0,0,0|1,0,0]=3 1110 B9R0.46 C=CCCCOC(=O)CO Amb27765648 [1,1,0,0,0,0|2,0,0]=4 1111 B9R0.46 C=CCCOCC(=O)NO Amb27617516 [1,1,0,0,0,0|2,0,0]=4 1112 B9R0.46 C=CCNCCC(=O)OC Amb33550492 [1,1,0,0,0,0|2,0,0]=4 1113 B9R0.46 C=CCOCCC(=O)OC Amb9208692 [1,1,0,0,0,0|2,0,0]=4 1114 B9R0.46 C=CCSCCC(=O)OC Amb27875920 [1,1,0,0,0,0|2,0,0]=4 1115 B9R0.46 CC(C=O)CCCCC=O Amb27614225 [1,1,0,0,0,0|1,0,1]=4 1116 B9R0.46 CCC(=O)CCCCCO Amb27627259 [1,1,0,0,0,0|1,0,1]=4 1117 B9R0.46 CCCCCCC(=O)CO Amb28254622 [1,1,0,0,0,0|1,0,1]=4 1118 B9R0.46 CCCCCCC(=O)NO Amb25146254 [1,1,0,0,0,0|1,0,1]=4 1119 B9R0.46 CCCCCCC(=O)OC Amb9787230 [1,1,0,0,0,0|1,0,1]=4 1120 B9R0.46 CNC(=O)CCCCC=O Amb25339730 [1,1,0,0,0,0|1,0,0]=3 1121 B9R0.46 CNC(=O)CCCCCO Amb27592471 [1,1,0,0,0,0|1,0,1]=4 1122 B9R0.46 CNC(=O)CCCNC=O Amb27959411 [1,1,0,0,0,0|2,0,0]=4 1123 B9R0.46 CNC(=O)CSCCC=O Amb27602014 [1,1,0,0,0,0|2,0,0]=4 1124 B9R0.46 CNCCCCC(=O)OC Amb25725637 [1,1,0,0,0,0|2,0,0]=4 1125 B9R0.46 CNCCCCC(=O)OC Amb32676714 [1,1,0,0,0,0|2,0,0]=4 1126 B9R0.46 COC(=O)CCCCC=O Amb16233585 [1,1,0,0,0,0|0,0,0]=2 1127 B9R0.46 COC(=O)CCCCCBr Amb4017062 [1,1,0,0,0,0|1,0,1]=4 1128 B9R0.46 COC(=O)CCCCCCl Amb25703167 [1,1,0,0,0,0|1,0,1]=4 1129 B9R0.46 COC(=O)CCCCCN Amb1152885 [1,1,0,0,0,0|1,0,1]=4 1130 B9R0.46 COC(=O)CCCCCN Amb1935045 [1,1,0,0,0,0|1,0,1]=4 1131 B9R0.46 COC(=O)CCCCCO Amb22002577 [1,1,0,0,0,0|0,0,1]=3 1132 B9R0.46 COC(=O)CCCCCS Amb25934957 [1,1,0,0,0,0|0,1,1]=4 1133 B9R0.46 COC(=O)CCCN=C=O Amb2688917 [1,1,0,0,0,0|1,0,1]=4 1134 B9R0.46 COC(=O)CCCNC=O Amb27615072 [1,1,0,0,0,0|1,0,0]=3 1135 B9R0.46 COC(=O)CCC\C=C/Cl Amb28076519 [1,1,0,0,0,0|1,0,1]=4 1136 B9R0.46 COC(=O)CCNCCO Amb9243303 [1,1,0,0,0,0|1,0,1]=4 1137 B9R0.46 COC(=O)CCOCCO Amb33986072 [1,1,0,0,0,0|1,0,1]=4 1138 B9R0.46 COC(=O)CNCCCO Amb9247002 [1,1,0,0,0,0|1,0,1]=4 1139 B9R0.46 COC(=O)NCCCCO Amb27251899 [1,1,0,0,0,0|1,0,1]=4 1140 B9R0.46 COCCCCC(=O)CO Amb28254576 [1,1,0,0,0,0|2,0,0]=4 1141 B9R0.46 NCCCCCC(=O)NO Amb32432421 [1,1,0,0,0,0|1,0,1]=4 1142 B9R0.46 NNC(=O)CCCCCO Amb6371427 [1,1,0,0,0,0|1,0,1]=4 1143 B9R0.46 O=C(CCl)CCCCCO Amb27799874 [1,1,0,0,0,0|1,0,1]=4 1144 B9R0.46 O=CCCCOC(=O)CBr Amb27841814 [1,1,0,0,0,0|2,0,0]=4 1145 B9R0.46 O=CCCCOC(=O)CCl Amb28072931 [1,1,0,0,0,0|2,0,0]=4 1146 B9R0.46 [C-]#[N+]CCCCC(=O)OC Amb2688987 [1,1,0,0,0,0|2,0,0]=4 1147 B9R0.47 C#CCCCC(N)C(=O)O Amb27947457 [1,1,0,0,0,0|1,0,1]=4 1148 B9R0.47 C#CCCCC(N)C(=O)O Amb33483976 [1,1,0,0,0,0|1,0,1]=4 1149 B9R0.47 C#CCCC[C@@H](N)C(=O)O Amb24077358 [1,1,0,0,0,0|1,0,1]=4 1150 B9R0.47 C#CCCC[C@H](N)C(=O)O Amb24088878 [1,1,0,0,0,0|1,0,1]=4 1151 B9R0.47 C=CCCCC(C)C(C)=O Amb27839019 [1,1,0,0,0,0|2,0,0]=4 1152 B9R0.47 C=CCCCC(N)C(=O)O Amb22002149 [1,1,0,0,0,0|1,0,0]=3 1153 B9R0.47 C=CCCCC(N)C(=O)O Amb32752542 [1,1,0,0,0,0|1,0,0]=3 1154 B9R0.47 C=CCCCC(N)C(N)=O Amb25988690 [1,1,0,0,0,0|2,0,0]=4 1155 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb22831130 [1,1,0,0,0,0|1,0,0]=3 1156 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb32687472 [1,1,0,0,0,0|1,0,0]=3 1157 B9R0.47 C=CCCC[C@@H](O)C(C)=O Amb27453672 [1,1,0,0,0,0|2,0,0]=4 1158 B9R0.47 C=CCCC[C@H](N)C(=O)O Amb2699129 [1,1,0,0,0,0|1,0,0]=3 1159 B9R0.47 C=CCCOC(C)C(=O)O Amb9208711 [1,1,0,0,0,0|2,0,0]=4 1160 B9R0.47 C=CCCO[C@@H](C)C(=O)O Amb27254188 [1,1,0,0,0,0|2,0,0]=4 1161 B9R0.47 C=CCCO[C@H](C)C(=O)O Amb27976475 [1,1,0,0,0,0|2,0,0]=4 1162 B9R0.47 C=CCNCC(N)C(=O)O Amb27945606 [1,1,0,0,0,0|2,0,0]=4 1163 B9R0.47 C=CCOCC(N)C(=O)O Amb28048879 [1,1,0,0,0,0|2,0,0]=4 1164 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb31030961 [1,1,0,0,0,0|2,0,0]=4 1165 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb32941137 [1,1,0,0,0,0|2,0,0]=4 1166 B9R0.47 C=CCOC[C@H](N)C(=O)O Amb24713287 [1,1,0,0,0,0|2,0,0]=4 1167 B9R0.47 C=CCSCC(C)C(=O)O Amb27813038 [1,1,0,0,0,0|2,0,0]=4 1168 B9R0.47 C=CCSCC(Cl)C(=O)O Amb27635176 [1,1,0,0,0,0|2,0,0]=4 1169 B9R0.47 C=CCSCC(N)C(=O)O Amb6270069 [1,1,0,0,0,0|2,0,0]=4 1170 B9R0.47 C=CCSCC(O)C(=O)O Amb27639084 [1,1,0,0,0,0|2,0,0]=4 1171 B9R0.47 C=CCSC[C@@H](C)C(=O)O Amb27955284 [1,1,0,0,0,0|2,0,0]=4 1172 B9R0.47 C=CCSC[C@@H](N)C(=O)O Amb10843878 [1,1,0,0,0,0|2,0,0]=4 1173 B9R0.47 C=CCSC[C@H](N)C(=O)O Amb22231426 [1,1,0,0,0,0|2,0,0]=4 1174 B9R0.47 C=CSCCC(N)C(=O)O Amb26658187 [1,1,0,0,0,0|2,0,0]=4 1175 B9R0.47 CC(=O)C(C)CCCCO Amb27787398 [1,1,0,0,0,0|1,0,1]=4 1176 B9R0.47 CC(CCCCBr)C(=O)O Amb27790626 [1,1,0,0,0,0|1,0,1]=4 1177 B9R0.47 CC(CCCCF)C(=O)O Amb24370978 [1,1,0,0,0,0|1,0,1]=4 1178 B9R0.47 CC(CCCCN)C(=O)O Amb31031269 [1,1,0,0,0,0|1,0,1]=4 1179 B9R0.47 CC(CCCCO)C(=O)O Amb28040862 [1,1,0,0,0,0|0,0,1]=3 1180 B9R0.47 CC(CCN=C=O)C(=O)O Amb33471413 [1,1,0,0,0,0|1,0,1]=4 1181 B9R0.47 CC(CCNC=O)C(=O)O Amb27474434 [1,1,0,0,0,0|1,0,0]=3 1182 B9R0.47 CCCCCC(Br)C(=O)O Amb18130346 [1,1,0,0,0,0|1,0,1]=4 1183 B9R0.47 CCCCCC(F)C(=O)O Amb17593693 [1,1,0,0,0,0|1,0,1]=4 1184 B9R0.47 CCCCCC(N)C(=O)O Amb4134810 [1,1,0,0,0,0|1,0,1]=4 1185 B9R0.47 CCCCCC(O)C(=O)O Amb17778103 [1,1,0,0,0,0|1,0,1]=4 1186 B9R0.47 CCCCCC(S)C(=O)O Amb27657706 [1,1,0,0,0,0|1,0,1]=4 1187 B9R0.47 CCCCC[C@@H](Br)C(=O)O Amb27234856 [1,1,0,0,0,0|1,0,1]=4 1188 B9R0.47 CCCCC[C@@H](N)C(=O)O Amb22745982 [1,1,0,0,0,0|1,0,1]=4 1189 B9R0.47 CCCCC[C@@H](O)C(=O)O Amb28050131 [1,1,0,0,0,0|1,0,1]=4 1190 B9R0.47 CCCCC[C@H](Br)C(=O)O Amb28287684 [1,1,0,0,0,0|1,0,1]=4 1191 B9R0.47 CCCCC[C@H](C)C(=O)O Amb10844510 [1,1,0,0,0,0|1,0,1]=4 1192 B9R0.47 CCCCC[C@H](F)C(=O)O Amb27784296 [1,1,0,0,0,0|1,0,1]=4 1193 B9R0.47 CCCCC[C@H](N)C(=O)O Amb17943098 [1,1,0,0,0,0|1,0,1]=4 1194 B9R0.47 CNCCCC(N)C(=O)O Amb18644279 [1,1,0,0,0,0|2,0,0]=4 1195 B9R0.47 COCCCC(C)C(=O)O Amb26653888 [1,1,0,0,0,0|2,0,0]=4 1196 B9R0.47 COCCCC(N)C(=O)O Amb22058809 [1,1,0,0,0,0|2,0,0]=4 1197 B9R0.47 COCCCC(N)C(=O)O Amb33549526 [1,1,0,0,0,0|2,0,0]=4 1198 B9R0.47 COCCCC(O)C(=O)O Amb28050541 [1,1,0,0,0,0|2,0,0]=4 1199 B9R0.47 COCCC[C@@H](N)C(=O)O Amb25081508 [1,1,0,0,0,0|2,0,0]=4 1200 B9R0.47 COCCC[C@H](N)C(=O)O Amb25378737 [1,1,0,0,0,0|2,0,0]=4 1201 B9R0.47 CSCCCC(C)C(=O)O Amb25888073 [1,1,0,0,0,0|2,0,0]=4 1202 B9R0.47 CSCCCC(N)C(=O)O Amb17594057 [1,1,0,0,0,0|2,0,0]=4 1203 B9R0.47 CSCCCC(N)C(=O)O Amb35789017 [1,1,0,0,0,0|2,0,0]=4 1204 B9R0.47 CSCCCC(O)C(=O)O Amb25169340 [1,1,0,0,0,0|2,0,0]=4 1205 B9R0.47 CSCCC[C@@H](N)C(=O)O Amb27233529 [1,1,0,0,0,0|2,0,0]=4 1206 B9R0.47 CSCCC[C@H](N)C(=O)O Amb27858783 [1,1,0,0,0,0|2,0,0]=4 1207 B9R0.47 C[C@@H](CCCCBr)C(=O)O Amb27794794 [1,1,0,0,0,0|1,0,1]=4 1208 B9R0.47 C[C@H](NCCCO)C(=O)O Amb27454333 [1,1,0,0,0,0|1,0,1]=4 1209 B9R0.47 C\C=C\CCC(C)C(=O)O Amb27461427 [1,1,0,0,0,0|1,0,1]=4 1210 B9R0.47 C\C=C\CCC(N)C(=O)O Amb27770583 [1,1,0,0,0,0|1,0,1]=4 1211 B9R0.47 N#CCCCC(Cl)C(=O)O Amb17594023 [1,1,0,0,0,0|1,0,1]=4 1212 B9R0.47 N#CCCCC(N)C(=O)O Amb25242567 [1,1,0,0,0,0|1,0,1]=4 1213 B9R0.47 N#CCCC[C@@H](N)C(=O)O Amb28349132 [1,1,0,0,0,0|1,0,1]=4 1214 B9R0.47 N#CCCC[C@H](N)C(=O)O Amb26043277 [1,1,0,0,0,0|1,0,1]=4 1215 B9R0.47 NC(=O)C(N)CCCCO Amb33065912 [1,1,0,0,0,0|1,0,1]=4 1216 B9R0.47 NC(CCCCF)C(=O)O Amb28193271 [1,1,0,0,0,0|1,0,1]=4 1217 B9R0.47 NC(CCCCO)C(=O)O Amb2699159 [1,1,0,0,0,0|0,0,1]=3 1218 B9R0.47 NC(CCSN=O)C(=O)O Amb26516416 [1,1,0,0,0,0|2,0,0]=4 1219 B9R0.47 NC(CSCCO)C(=O)O Amb6262852 [1,1,0,0,0,0|1,0,1]=4 1220 B9R0.47 NCCCCC(N)C(=O)O Amb22349470 [1,1,0,0,0,0|1,0,1]=4 1221 B9R0.47 NCCCCC(N)C(=O)O Amb22489521 [1,1,0,0,0,0|1,0,1]=4 1222 B9R0.47 NCCCCC(N)C(=O)O Amb3940540 [1,1,0,0,0,0|1,0,1]=4 1223 B9R0.47 NCCCCC(N)C(=O)O Amb8516470 [1,1,0,0,0,0|1,0,1]=4 1224 B9R0.47 NCCCCC(N)C(=O)O Amb8516682 [1,1,0,0,0,0|1,0,1]=4 1225 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb22750565 [1,1,0,0,0,0|1,0,1]=4 1226 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb2720180 [1,1,0,0,0,0|1,0,1]=4 1227 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb30621835 [1,1,0,0,0,0|1,0,1]=4 1228 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb3940874 [1,1,0,0,0,0|1,0,1]=4 1229 B9R0.47 NCCCC[C@H](N)C(=O)O Amb2720055 [1,1,0,0,0,0|1,0,1]=4 1230 B9R0.47 NCCCC[C@H](N)C(=O)O Amb3940762 [1,1,0,0,0,0|1,0,1]=4 1231 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8395455 [1,1,0,0,0,0|1,0,1]=4 1232 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8513720 [1,1,0,0,0,0|1,0,1]=4 1233 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628529 [1,1,0,0,0,0|1,0,1]=4 1234 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628598 [1,1,0,0,0,0|1,0,1]=4 1235 B9R0.47 NOCCCC(N)C(=O)O Amb24117962 [1,1,0,0,0,0|2,0,0]=4 1236 B9R0.47 NOCCCC(N)C(=O)O Amb27222313 [1,1,0,0,0,0|2,0,0]=4 1237 B9R0.47 NOCCC[C@H](N)C(=O)O Amb28397870 [1,1,0,0,0,0|2,0,0]=4 1238 B9R0.47 N[C@@H](CCCC=O)C(=O)O Amb2695588 [1,1,0,0,0,0|0,0,0]=2 1239 B9R0.47 N[C@@H](CCCCBr)C(=O)O Amb28208462 [1,1,0,0,0,0|1,0,1]=4 1240 B9R0.47 N[C@@H](CCCCCl)C(=O)O Amb27267870 [1,1,0,0,0,0|1,0,1]=4 1241 B9R0.47 N[C@@H](CCCCF)C(=O)O Amb27945388 [1,1,0,0,0,0|1,0,1]=4 1242 B9R0.47 N[C@@H](CCCCO)C(=O)O Amb2695139 [1,1,0,0,0,0|0,0,1]=3 1243 B9R0.47 N[C@@H](CCCCS)C(=O)O Amb25729289 [1,1,0,0,0,0|0,1,1]=4 1244 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb29083430 [1,1,0,0,0,0|1,0,0]=3 1245 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb30666629 [1,1,0,0,0,0|1,0,0]=3 1246 B9R0.47 N[C@@H](CCSN=O)C(=O)O Amb24665147 [1,1,0,0,0,0|2,0,0]=4 1247 B9R0.47 N[C@@H](CNCCO)C(=O)O Amb25146307 [1,1,0,0,0,0|1,0,1]=4 1248 B9R0.47 N[C@@H](CSCCO)C(=O)O Amb2695551 [1,1,0,0,0,0|1,0,1]=4 1249 B9R0.47 N[C@H](CCCC=O)C(=O)O Amb27272621 [1,1,0,0,0,0|0,0,0]=2 1250 B9R0.47 N[C@H](CCCCF)C(=O)O Amb26370180 [1,1,0,0,0,0|1,0,1]=4 1251 B9R0.47 N[C@H](CCCCO)C(=O)O Amb26969244 [1,1,0,0,0,0|0,0,1]=3 1252 B9R0.47 N[C@H](CSCCO)C(=O)O Amb8629048 [1,1,0,0,0,0|1,0,1]=4 1253 B9R0.47 O=C(O)C(=O)CCCCO Amb27626027 [1,1,0,0,0,0|0,0,2]=4 1254 B9R0.47 O=C(O)C(Cl)CC\C=C\Cl Amb27984937 [1,1,0,0,0,0|1,0,1]=4 1255 B9R0.47 O=C(O)C(O)CCCCO Amb18644356 [1,1,0,0,0,0|0,0,1]=3 1256 B9R0.47 O=C(O)C(O)CNCCO Amb27456529 [1,1,0,0,0,0|1,0,1]=4 1257 B9R0.47 O=CCSCC(=O)C(=O)O Amb33069914 [1,1,0,0,0,0|1,0,1]=4 1258 B9R0.48 C=CCC(C)CCC(=O)O Amb27605823 [1,1,0,0,0,0|1,0,0]=3 1259 B9R0.48 C=CCC(O)CCC(C)=O Amb28194573 [1,1,0,0,0,0|2,0,0]=4 1260 B9R0.48 C=CC[C@@H](O)CCC(C)=O Amb28386579 [1,1,0,0,0,0|2,0,0]=4 1261 B9R0.48 CC(=O)CCC(C)CC=O Amb28199726 [1,1,0,0,0,0|1,0,0]=3 1262 B9R0.48 CC(=O)CC[C@@H](C)CCO Amb27944575 [1,1,0,0,0,0|1,0,1]=4 1263 B9R0.48 CC(=O)CC[C@H](C)CC=O Amb27255456 [1,1,0,0,0,0|1,0,0]=3 1264 B9R0.48 CC(=O)OCC(C)CC=O Amb18644137 [1,1,0,0,0,0|2,0,0]=4 1265 B9R0.48 CC(CC=O)CCC(=O)O Amb27439382 [1,1,0,0,0,0|0,0,0]=2 1266 B9R0.48 CC(CCC(=O)O)N=C=O Amb33471389 [1,1,0,0,0,0|1,0,1]=4 1267 B9R0.48 CC(CCCl)CCC(=O)O Amb27834348 [1,1,0,0,0,0|1,0,1]=4 1268 B9R0.48 CC(CCN)CCC(=O)O Amb18124749 [1,1,0,0,0,0|1,0,1]=4 1269 B9R0.48 CC(CCO)NCC(=O)O Amb27174877 [1,1,0,0,0,0|1,0,1]=4 1270 B9R0.48 CC(CCS)CCC(=O)O Amb28291582 [1,1,0,0,0,0|0,1,1]=4 1271 B9R0.48 CCCC(C)CCC(=O)O Amb28193257 [1,1,0,0,0,0|1,0,1]=4 1272 B9R0.48 CCCC(N)CCC(=O)O Amb1014101 [1,1,0,0,0,0|1,0,1]=4 1273 B9R0.48 CCCC(O)CCC(=O)O Amb17689110 [1,1,0,0,0,0|1,0,1]=4 1274 B9R0.48 CCC[C@@H](O)CCC(=O)O Amb28050107 [1,1,0,0,0,0|1,0,1]=4 1275 B9R0.48 CCC[C@H](C)CCC(=O)O Amb24446759 [1,1,0,0,0,0|1,0,1]=4 1276 B9R0.48 CCC[C@H](O)CCC(=O)O Amb27618330 [1,1,0,0,0,0|1,0,1]=4 1277 B9R0.48 CN(CC=O)CCC(N)=O Amb27452718 [1,1,0,0,0,0|2,0,0]=4 1278 B9R0.48 CN(CCO)CCC(=O)O Amb5774461 [1,1,0,0,0,0|1,0,1]=4 1279 B9R0.48 COCC(Cl)CCC(=O)O Amb27456486 [1,1,0,0,0,0|2,0,0]=4 1280 B9R0.48 COCC(N)CCC(=O)O Amb33036364 [1,1,0,0,0,0|2,0,0]=4 1281 B9R0.48 COCC(O)CCC(=O)O Amb33036250 [1,1,0,0,0,0|2,0,0]=4 1282 B9R0.48 CSCC(N)CCC(=O)O Amb33272065 [1,1,0,0,0,0|2,0,0]=4 1283 B9R0.48 CSCC(O)CCC(=O)O Amb27490998 [1,1,0,0,0,0|2,0,0]=4 1284 B9R0.48 C[C@@H](CC#N)CCC(=O)O Amb27950078 [1,1,0,0,0,0|1,0,1]=4 1285 B9R0.48 C[C@@H](CCO)CCC(=O)O Amb28250798 [1,1,0,0,0,0|0,0,1]=3 1286 B9R0.48 NC(CCF)CCC(=O)O Amb33480872 [1,1,0,0,0,0|1,0,1]=4 1287 B9R0.48 NC(\C=C\F)CCC(=O)O Amb27221055 [1,1,0,0,0,0|1,0,1]=4 1288 B9R0.48 NCCC(N)CCC(=O)O Amb27390542 [1,1,0,0,0,0|1,0,1]=4 1289 B9R0.48 N[C@H](CCS)CCC(=O)O Amb27857300 [1,1,0,0,0,0|0,1,1]=4 1290 B9R0.48 O=C(O)CCC(O)CCO Amb28121295 [1,1,0,0,0,0|0,0,1]=3 1291 B9R0.48 O=CCC(=O)CCC(=O)O Amb18644074 [1,1,0,0,0,0|0,0,1]=3 1292 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [0,1,0,0,1,0|2,0,0]=4 1293 B9R0.7 C=C(C)C(N)CCC(=O)O Amb33199957 [0,1,0,0,1,0|2,0,0]=4 1294 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [0,1,0,0,1,0|2,0,0]=4 1295 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [0,1,0,0,1,0|2,0,0]=4 1296 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [0,1,0,0,1,0|2,0,0]=4 1297 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [0,1,0,0,1,0|2,0,0]=4 1298 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [0,1,0,0,1,0|2,0,0]=4 1299 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,1,0,0,1,0|0,0,1]=3 1300 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [0,1,0,0,1,0|1,0,1]=4 1301 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [0,1,0,0,1,0|2,0,0]=4 1302 B9R0.7 C=C(F)C(N)CCC(=O)O Amb27849938 [0,1,0,0,1,0|2,0,0]=4 1303 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,1,0,0,1,0|1,0,0]=3 1304 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,1,0,0,1,0|2,0,0]=4 1305 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,1,0,0,1,0|1,0,0]=3 1306 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,1,0,0,1,0|1,0,0]=3 1307 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,1,0,0,1,0|1,0,0]=3 1308 B9R0.7 CC(=O)CCC(Cl)C(C)=O Amb27444965 [0,1,0,0,1,0|2,0,0]=4 1309 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,1,0,0,1,0|1,0,0]=3 1310 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,1,0,0,1,0|1,0,0]=3 1311 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [0,1,0,0,1,0|2,0,0]=4 1312 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,1,0,0,1,0|1,0,0]=3 1313 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,1,0,0,1,0|1,0,0]=3 1314 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,1,0,0,1,0|2,0,0]=4 1315 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [0,1,0,0,1,0|2,0,0]=4 1316 B9R0.7 CC(=O)N(O)CCC(=O)O Amb28050128 [0,1,0,0,1,0|2,0,0]=4 1317 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,1,0,0,1,0|2,0,0]=4 1318 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [0,1,0,0,1,0|2,0,0]=4 1319 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [0,1,0,0,1,0|2,0,0]=4 1320 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [0,1,0,0,1,0|2,0,0]=4 1321 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [0,1,0,0,1,0|2,0,0]=4 1322 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [0,1,0,0,1,0|2,0,0]=4 1323 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [0,1,0,0,1,0|2,0,0]=4 1324 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [0,1,0,0,1,0|2,0,0]=4 1325 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [0,1,0,0,1,0|2,0,0]=4 1326 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [0,1,0,0,1,0|2,0,0]=4 1327 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [0,1,0,0,1,0|2,0,0]=4 1328 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [0,1,0,0,1,0|2,0,0]=4 1329 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [0,1,0,0,1,0|2,0,0]=4 1330 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,1,0,0,1,0|1,0,0]=3 1331 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,1,0,0,1,0|0,0,0]=2 1332 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [0,1,0,0,1,0|2,0,0]=4 1333 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [0,1,0,0,1,0|1,0,1]=4 1334 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [0,1,0,0,1,0|2,0,0]=4 1335 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,1,0,0,1,0|1,0,0]=3 1336 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,1,0,0,1,0|1,0,0]=3 1337 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [0,1,0,0,1,0|2,0,0]=4 1338 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [0,1,0,0,1,0|1,0,1]=4 1339 B9R0.7 CC(O)CCC(N)C(=O)O Amb26598749 [0,1,0,0,1,0|1,0,1]=4 1340 B9R0.7 CC(O)CC[C@@H](N)C(=O)O Amb28126862 [0,1,0,0,1,0|1,0,1]=4 1341 B9R0.7 CC(O)CC[C@H](N)C(=O)O Amb26346481 [0,1,0,0,1,0|1,0,1]=4 1342 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,1,0,0,1,0|1,0,0]=3 1343 B9R0.7 CN(CCC(=O)O)C(N)=O Amb18984979 [0,1,0,0,1,0|2,0,0]=4 1344 B9R0.7 CN(O)CC[C@H](N)C(=O)O Amb27640254 [0,1,0,0,1,0|2,0,0]=4 1345 B9R0.7 CS(=O)CCC(N)C(=O)O Amb6336322 [0,1,0,0,1,0|2,0,0]=4 1346 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [0,1,0,0,1,0|2,0,0]=4 1347 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Amb19133021 [0,1,0,0,1,0|2,0,0]=4 1348 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Amb6600089 [0,1,0,0,1,0|2,0,0]=4 1349 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,1,0,0,1,0|0,0,0]=2 1350 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [0,1,0,0,1,0|1,0,1]=4 1351 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [0,1,0,0,1,0|2,0,0]=4 1352 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,1,0,0,1,0|1,0,0]=3 1353 B9R0.7 C[C@@H](O)[C@H](O)CCC(=O)O Amb27628876 [0,1,0,0,1,0|1,0,1]=4 1354 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,1,0,0,1,0|0,0,0]=2 1355 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [0,1,0,0,1,0|1,0,1]=4 1356 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [0,1,0,0,1,0|2,0,0]=4 1357 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,1,0,0,1,0|1,0,0]=3 1358 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,1,0,0,1,0|1,0,0]=3 1359 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [0,1,0,0,1,0|2,0,0]=4 1360 B9R0.7 C[C@H](O)[C@H](N)CCC(=O)O Amb27217393 [0,1,0,0,1,0|1,0,1]=4 1361 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,1,0,0,1,0|0,0,2]=4 1362 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,1,0,0,1,0|0,0,2]=4 1363 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [0,1,0,0,1,0|1,0,1]=4 1364 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [0,1,0,0,1,0|2,0,0]=4 1365 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [0,1,0,0,1,0|1,0,0]=3 1366 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [0,1,0,0,1,0|1,0,1]=4 1367 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [0,1,0,0,1,0|1,0,0]=3 1368 B9R0.7 NC(=O)CCC(N)C(=O)Cl Amb27793490 [0,1,0,0,1,0|2,0,0]=4 1369 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,1,0,0,1,0|1,0,0]=3 1370 B9R0.7 NC(=O)CCC(N)C(N)=O Amb27175153 [0,1,0,0,1,0|2,0,0]=4 1371 B9R0.7 NC(=O)CCC(O)C(N)=O Amb28289307 [0,1,0,0,1,0|2,0,0]=4 1372 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [0,1,0,0,1,0|1,0,0]=3 1373 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,1,0,0,1,0|1,0,0]=3 1374 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,1,0,0,1,0|2,0,0]=4 1375 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb25996678 [0,1,0,0,1,0|2,0,0]=4 1376 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,1,0,0,1,0|1,0,0]=3 1377 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,1,0,0,1,0|2,0,0]=4 1378 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb33774694 [0,1,0,0,1,0|2,0,0]=4 1379 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [0,1,0,0,1,0|2,0,0]=4 1380 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [0,1,0,0,1,0|2,0,0]=4 1381 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [0,1,0,0,1,0|2,0,0]=4 1382 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [0,1,0,0,1,0|2,0,0]=4 1383 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [0,1,0,0,1,0|2,0,0]=4 1384 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,1,0,0,1,0|2,0,0]=4 1385 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,1,0,0,1,0|2,0,0]=4 1386 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [0,1,0,0,1,0|2,0,0]=4 1387 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [0,1,0,0,1,0|2,0,0]=4 1388 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [0,1,0,0,1,0|2,0,0]=4 1389 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [0,1,0,0,1,0|1,0,0]=3 1390 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [0,1,0,0,1,0|1,0,0]=3 1391 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [0,1,0,0,1,0|1,1,0]=4 1392 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [0,1,0,0,1,0|1,1,0]=4 1393 B9R0.7 NC(CCB(O)O)C(=O)O Amb22497480 [0,1,0,0,1,0|1,0,1]=4 1394 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,1,0,0,1,0|1,0,0]=3 1395 B9R0.7 NC(CCC(=O)O)B(O)O Amb26983348 [0,1,0,0,1,0|1,0,1]=4 1396 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,1,0,0,1,0|0,0,0]=2 1397 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,1,0,0,1,0|0,0,0]=2 1398 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [0,1,0,0,1,0|0,0,1]=3 1399 B9R0.7 NC(CC[N+](=O)[O-])C(=O)O Amb27221965 [0,1,0,0,1,0|1,0,1]=4 1400 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,1,0,0,1,0|1,0,0]=3 1401 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,1,0,0,1,0|0,0,0]=2 1402 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,1,0,0,1,0|0,0,0]=2 1403 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,1,0,0,1,0|0,0,0]=2 1404 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [0,1,0,0,1,0|0,0,1]=3 1405 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,1,0,0,1,0|0,1,0]=3 1406 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [0,1,0,0,1,0|1,0,0]=3 1407 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [0,1,0,0,1,0|1,0,0]=3 1408 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,1,0,0,1,0|1,0,0]=3 1409 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,1,0,0,1,0|0,0,0]=2 1410 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,1,0|0,0,1]=3 1411 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,1,0,0,1,0|0,0,1]=3 1412 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,1,0,0,1,0|0,0,1]=3 1413 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [0,1,0,0,1,0|0,0,0]=2 1414 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [0,1,0,0,1,0|0,0,0]=2 1415 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [0,1,0,0,1,0|0,0,0]=2 1416 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [0,1,0,0,1,0|0,0,0]=2 1417 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [0,1,0,0,1,0|0,0,0]=2 1418 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [0,1,0,0,1,0|0,0,0]=2 1419 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [0,1,0,0,1,0|0,0,0]=2 1420 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [0,1,0,0,1,0|0,0,0]=2 1421 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,1,0|1,0,1]=4 1422 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [0,1,0,0,1,0|1,0,1]=4 1423 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,1,0,0,1,0|0,0,2]=4 1424 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [0,1,0,0,1,0|2,0,0]=4 1425 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [0,1,0,0,1,0|0,0,2]=4 1426 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Amb17615399 [0,1,0,0,1,0|0,0,2]=4 1427 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [0,1,0,0,1,0|2,0,0]=4 1428 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [0,1,0,0,1,0|1,0,0]=3 1429 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [0,1,0,0,1,0|2,0,0]=4 1430 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [0,1,0,0,1,0|2,0,0]=4 1431 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [0,1,0,0,1,0|2,0,0]=4 1432 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [0,1,0,0,1,0|2,0,0]=4 1433 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [0,1,0,0,1,0|2,0,0]=4 1434 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [0,1,0,0,1,0|0,0,0]=2 1435 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [0,1,0,0,1,0|2,0,0]=4 1436 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [0,1,0,0,1,0|2,0,0]=4 1437 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,1,0,0,1,0|1,0,0]=3 1438 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [0,1,0,0,1,0|2,0,0]=4 1439 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [0,1,0,0,1,0|1,0,0]=3 1440 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [0,1,0,0,1,0|0,0,2]=4 1441 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [0,1,0,0,1,0|0,0,2]=4 1442 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [0,1,0,0,1,0|1,0,0]=3 1443 B9R0.53 NC(=O)CC(O)CC(N)=O Amb27203532 [0,1,0,0,1,0|2,0,0]=4 1444 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [0,1,0,0,1,0|1,0,0]=3 1445 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,1,0,0,1,0|0,0,0]=2 1446 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [0,1,0,0,1,0|0,0,0]=2 1447 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [0,1,0,0,1,0|1,0,0]=3 1448 B9R0.53 O=C(Cl)CC(Cl)CC(=O)Cl Amb27390104 [0,1,0,0,1,0|2,0,0]=4 1449 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [0,1,0,0,1,0|0,0,1]=3 1450 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [0,1,0,0,1,0|0,0,0]=2 1451 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [0,1,0,0,1,0|0,0,0]=2 1452 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [0,1,0,0,1,0|1,0,0]=3 1453 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [0,1,0,0,1,0|0,0,2]=4 1454 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [0,1,0,0,1,0|1,0,0]=3 1455 B9R0.56 CC(C)(O)CCCC(=O)O Amb24340189 [0,1,0,0,1,0|1,0,1]=4 1456 B9R0.56 CP(=O)(O)CCCC(=O)O Amb24524573 [0,1,0,0,1,0|1,0,0]=3 1457 B9R0.56 CS(=O)(=O)CCCC(=O)O Amb17503668 [0,1,0,0,1,0|1,0,1]=4 1458 B9R0.56 NP(=O)(O)CNCC(=O)O Amb27233408 [0,1,0,0,1,0|2,0,0]=4 1459 B9R0.56 NS(=O)(=O)CCCC(=O)O Amb6741827 [0,1,0,0,1,0|1,0,1]=4 1460 B9R0.56 O=C(O)CCCS(=O)(=O)Cl Amb28196571 [0,1,0,0,1,0|1,0,1]=4 1461 B9R0.56 O=C(O)CCCS(=O)(=O)O Amb27471573 [0,1,0,0,1,0|1,0,0]=3 1462 B9R0.56 O=C(O)CNCP(=O)(O)O Amb3941678 [0,1,0,0,1,0|2,0,0]=4 1463 B9R0.56 O=C(O)CNCP(=O)([O-])O Amb28995134 [0,1,0,0,1,0|2,0,0]=4 1464 B11R0.6 CC(=O)NN(C)CCCC(=O)O Amb32430233 [0,1,0,0,0,1|2,0,0]=4 1465 B11R0.6 CC(C)=CCCC(C)CC(=O)O Amb2720520 [0,1,0,0,0,1|2,0,0]=4 1466 B11R0.29 CC(=O)C(C)CCCCC(=O)O Amb20668227 [0,1,0,0,0,1|1,0,0]=3 1467 B11R0.29 CC(=O)CCCCC(N)C(=O)O Amb33065945 [0,1,0,0,0,1|1,0,0]=3 1468 B11R0.29 CC(=O)CCCCC(N)C(N)=O Amb33308578 [0,1,0,0,0,1|2,0,0]=4 1469 B11R0.29 CC(=O)CCCC[C@@H](N)C(=O)O Amb33066091 [0,1,0,0,0,1|1,0,0]=3 1470 B11R0.29 CC(=O)CCCC[C@H](N)C(=O)O Amb33037049 [0,1,0,0,0,1|1,0,0]=3 1471 B11R0.29 CC(=O)CCSCC(=O)C(=O)O Amb33069924 [0,1,0,0,0,1|1,0,1]=4 1472 B11R0.29 CC(=O)N(C)CCCCC(=O)O Amb32683389 [0,1,0,0,0,1|1,0,0]=3 1473 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb33068968 [0,1,0,0,0,1|2,0,0]=4 1474 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb9326973 [0,1,0,0,0,1|2,0,0]=4 1475 B11R0.29 CC(=O)NCSCC(N)C(=O)O Amb30623754 [0,1,0,0,0,1|2,0,0]=4 1476 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb22745261 [0,1,0,0,0,1|2,0,0]=4 1477 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb23438964 [0,1,0,0,0,1|2,0,0]=4 1478 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O Amb22349445 [0,1,0,0,0,1|2,0,0]=4 1479 B11R0.29 CC(SCCCC(=O)O)C(=O)O Amb17503620 [0,1,0,0,0,1|0,0,0]=2 1480 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb1151252 [0,1,0,0,0,1|2,0,0]=4 1481 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb32644498 [0,1,0,0,0,1|2,0,0]=4 1482 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb32664990 [0,1,0,0,0,1|2,0,0]=4 1483 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb6609047 [0,1,0,0,0,1|2,0,0]=4 1484 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb8387122 [0,1,0,0,0,1|2,0,0]=4 1485 B11R0.29 N=C(N)NCCCC(O)C(=O)O Amb22730085 [0,1,0,0,0,1|2,0,0]=4 1486 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745064 [0,1,0,0,0,1|2,0,0]=4 1487 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745189 [0,1,0,0,0,1|2,0,0]=4 1488 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745210 [0,1,0,0,0,1|2,0,0]=4 1489 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745921 [0,1,0,0,0,1|2,0,0]=4 1490 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22801409 [0,1,0,0,0,1|2,0,0]=4 1491 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb2718762 [0,1,0,0,0,1|2,0,0]=4 1492 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb2720084 [0,1,0,0,0,1|2,0,0]=4 1493 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb32411788 [0,1,0,0,0,1|2,0,0]=4 1494 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb16232497 [0,1,0,0,0,1|2,0,0]=4 1495 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb17942891 [0,1,0,0,0,1|2,0,0]=4 1496 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb2698266 [0,1,0,0,0,1|2,0,0]=4 1497 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb2759781 [0,1,0,0,0,1|2,0,0]=4 1498 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb32644822 [0,1,0,0,0,1|2,0,0]=4 1499 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb3940700 [0,1,0,0,0,1|2,0,0]=4 1500 B11R0.29 NC(=O)CCSCC(=O)C(=O)O Amb33069777 [0,1,0,0,0,1|1,0,1]=4 1501 B11R0.29 NC(=O)NCCCC(N)C(=O)O Amb3499394 [0,1,0,0,0,1|1,0,0]=3 1502 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Amb8629519 [0,1,0,0,0,1|1,0,0]=3 1503 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb22169596 [0,1,0,0,0,1|1,0,0]=3 1504 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb2718751 [0,1,0,0,0,1|1,0,0]=3 1505 B11R0.29 NC(CCCCC(=O)O)C(=O)O Amb2760482 [0,1,0,0,0,1|0,0,0]=2 1506 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb32660941 [0,1,0,0,0,1|0,0,0]=2 1507 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb33552542 [0,1,0,0,0,1|0,0,0]=2 1508 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb32686887 [0,1,0,0,0,1|0,0,1]=3 1509 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb33470155 [0,1,0,0,0,1|0,0,1]=3 1510 B11R0.29 NC(N)=NCCCC(N)C(=O)O Amb19866551 [0,1,0,0,0,1|2,0,0]=4 1511 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O Amb22746360 [0,1,0,0,0,1|0,0,0]=2 1512 B11R0.29 O=C(O)CCCCC(=O)C(=O)O Amb33470212 [0,1,0,0,0,1|0,0,0]=2 1513 B11R0.29 O=C(O)CCSCC(=O)C(=O)O Amb33069682 [0,1,0,0,0,1|0,0,1]=3 1514 B11R0.31 NS(=O)(=O)CCCCCC(=O)O Amb28653063 [0,1,0,0,0,1|1,0,1]=4 1515 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb16187108 [0,1,0,0,0,1|0,0,0]=2 1516 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb24117217 [0,1,0,0,0,1|0,0,0]=2 1517 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb32664379 [0,1,0,0,0,1|0,0,0]=2 1518 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb33473618 [0,1,0,0,0,1|0,0,0]=2 1519 B11R0.85 O=C(O)CCC(=O)CCC(=O)O Amb6296610 [0,1,0,0,0,1|0,0,0]=2 1520 B11R0.85 O=C(O)CCC(=O)CC[N+](=O)[O-] Amb9782877 [0,1,0,0,0,1|1,0,1]=4 1521 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Amb17940408 [0,1,0,0,0,1|0,0,1]=3 1522 B11R0.85 O=C(O)CCS(=O)CCC(=O)O Amb4086179 [0,1,0,0,0,1|0,0,0]=2 1523 B11R0.85 O=C(O)CSC(=S)SCC(=O)O Amb2613075 [0,1,0,0,0,1|1,0,1]=4 1524 B11R0.111 CCC(=O)CCCCCC(=O)O Amb6305228 [0,1,0,0,0,1|1,0,0]=3 1525 B11R0.111 COC(=O)CCCCCC(=O)O Amb13887311 [0,1,0,0,0,1|0,0,0]=2 1526 B11R0.111 COC(=O)CCCCCC(=O)[O-] Amb34915140 [0,1,0,0,0,1|0,0,1]=3 1527 B11R0.111 COC(=O)CCCCCS(=O)Cl Amb32720463 [0,1,0,0,0,1|2,0,0]=4 1528 B11R0.111 COC(=O)CCCCCS(=O)[O-] Amb32754397 [0,1,0,0,0,1|1,0,1]=4 1529 B11R0.111 COC(=O)CCCCCS(N)=O Amb32720464 [0,1,0,0,0,1|2,0,0]=4 1530 B11R0.111 COC(=O)CCCSCC(N)=S Amb17503398 [0,1,0,0,0,1|1,1,0]=4 1531 B11R0.114 COC(=O)CCCCS(=O)(=O)Cl Amb30628521 [0,2,0,0,0,0|1,0,1]=4 1532 B11R0.114 COC(=O)CCCCS(N)(=O)=O Amb32715470 [0,2,0,0,0,0|1,0,1]=4 1533 B11R0.127 CCS(=O)(=O)CCCCC(=O)O Amb9303293 [0,2,0,0,0,0|1,0,1]=4 1534 B11R0.127 COC(C)(C)CCCCC(=O)O Amb33359823 [0,2,0,0,0,0|1,0,1]=4 1535 B11R0.199 O=P(O)(O)CCCCP(=O)(O)O Amb8515781 [0,2,0,0,0,0|2,0,0]=4 1536 B11R0.199 O=S(=O)(O)CCCCS(=O)(=O)O Amb22233688 [0,2,0,0,0,0|2,0,0]=4 1537 B11R0.318 CS(=O)(=O)CCCC(N)C(=O)O Amb18189488 [0,2,0,0,0,0|1,0,1]=4 1538 B11R0.318 CS(=O)(=O)CCC[C@@H](N)C(=O)O Amb32789421 [0,2,0,0,0,0|1,0,1]=4 1539 B11R0.318 CS(=O)(=O)CCC[C@H](N)C(=O)O Amb33308913 [0,2,0,0,0,0|1,0,1]=4 1540 B11R0.318 NC(=O)C(N)CCCS(=O)(=O)O Amb33308757 [0,2,0,0,0,0|2,0,0]=4 1541 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O Amb5722335 [0,2,0,0,0,0|1,0,0]=3 1542 B11R0.318 NC(CCCS(=O)(=O)O)C(=O)O Amb33066081 [0,2,0,0,0,0|1,0,0]=3 1543 B11R0.318 N[C@@H](CCCS(=O)(=O)O)C(=O)O Amb33066176 [0,2,0,0,0,0|1,0,0]=3 1544 B11R0.318 N[C@H](CCCS(=O)(=O)O)C(=O)O Amb33065642 [0,2,0,0,0,0|1,0,0]=3 1545 B11R0.93 COC(=O)CC(O)COC(C)=O Amb17778578 [0,2,0,0,0,0|2,0,0]=4 1546 B11R0.106 COC(=O)CCCCC(=O)OC Amb2793126 [0,2,0,0,0,0|0,0,0]=2 1547 B11R0.106 COC(=O)CCCNC(=O)CBr Amb17330223 [0,2,0,0,0,0|2,0,0]=4 1548 B11R0.106 COC(=O)CCCNC(=O)CCl Amb6891987 [0,2,0,0,0,0|2,0,0]=4 1549 B11R0.106 COC(=O)CCNCC(=O)OC Amb8867280 [0,2,0,0,0,0|1,0,0]=3 1550 B11R0.106 COC(=O)CCSCC(=O)OC Amb2720730 [0,2,0,0,0,0|1,0,0]=3 1551 B11R0.106 COC(=O)CNNCC(=O)OC Amb19651359 [0,2,0,0,0,0|2,0,0]=4 1552 B11R0.106 COC(=O)C\C=C\CC(=O)OC Amb34910343 [0,2,0,0,0,0|0,0,2]=4 1553 B11R0.106 NNC(=O)CCCCC(=O)NN Amb1016573 [0,2,0,0,0,0|2,0,0]=4 1554 B11R0.106 N\C(CCCC\C(N)=N/O)=N\O Amb8384632 [0,2,0,0,0,0|2,0,0]=4 1555 B11R0.107 COC(=O)CCC(=O)CC(C)=O Amb17334875 [0,2,0,0,0,0|1,0,1]=4 1556 B11R0.107 COC(=O)CCC(C)CC(C)=O Amb32667486 [0,2,0,0,0,0|1,0,0]=3 1557 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33621268 [0,2,0,0,0,0|0,0,0]=2 1558 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33744519 [0,2,0,0,0,0|0,0,0]=2 1559 B11R0.109 CCC(=O)CCCC(N)C(=O)O Amb33036923 [0,2,0,0,0,0|1,0,0]=3 1560 B11R0.109 CCC(=O)CCCC(N)C(N)=O Amb33308786 [0,2,0,0,0,0|2,0,0]=4 1561 B11R0.109 CCC(=O)CCC[C@@H](N)C(=O)O Amb32864919 [0,2,0,0,0,0|1,0,0]=3 1562 B11R0.109 CCC(=O)CCC[C@H](N)C(=O)O Amb33309055 [0,2,0,0,0,0|1,0,0]=3 1563 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O Amb13884888 [0,2,0,0,0,0|0,0,0]=2 1564 B11R0.109 COC(=O)CSCC(=O)C(=O)O Amb33069686 [0,2,0,0,0,0|1,0,1]=4 1565 B11R0.109 COC(=O)CSCC(N)C(=O)O Amb6273780 [0,2,0,0,0,0|1,0,0]=3 1566 B11R0.145 COC(=O)C(N)CCCC(C)=O Amb33065910 [0,2,0,0,0,0|1,0,0]=3 1567 B11R0.145 COC(=O)C(N)CCCC(C)O Amb33308532 [0,2,0,0,0,0|1,0,1]=4 1568 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666268 [0,2,0,0,0,0|2,0,0]=4 1569 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666269 [0,2,0,0,0,0|2,0,0]=4 1570 B11R0.145 COC(=O)N(C)CCCC(=O)O Amb33531921 [0,2,0,0,0,0|1,0,0]=3 1571 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653054 [0,2,0,0,0,0|2,0,0]=4 1572 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653055 [0,2,0,0,0,0|2,0,0]=4 1573 B11R0.176 C=C(Br)CCCCC(=O)OCC Amb6298919 [0,2,0,0,0,0|2,0,0]=4 1574 B11R0.176 C=C(C)CCCCC(=O)OCC Amb6298923 [0,2,0,0,0,0|2,0,0]=4 1575 B11R0.176 C=C(Cl)CCCCC(=O)OCC Amb6298915 [0,2,0,0,0,0|2,0,0]=4 1576 B11R0.176 CCCC(=O)CCCCC(=O)O Amb6305241 [0,2,0,0,0,0|1,0,0]=3 1577 B11R0.176 CCCC(=O)NCCCC(=O)O Amb5741969 [0,2,0,0,0,0|2,0,0]=4 1578 B11R0.176 CCOC(=O)CCCCC(=O)O Amb3939942 [0,2,0,0,0,0|0,0,0]=2 1579 B11R0.176 CCOC(=O)CCCCC(N)=O Amb33623115 [0,2,0,0,0,0|1,0,0]=3 1580 B11R0.176 CCOC(=O)CCCOC(C)=O Amb17613918 [0,2,0,0,0,0|2,0,0]=4 1581 B11R0.176 CCOC(=O)NCCCC(=O)O Amb6249852 [0,2,0,0,0,0|1,0,0]=3 1582 B11R0.33 O=C(O)CS(=O)CC(=O)C(=O)O Amb33069706 [0,2,0,0,0,0|1,0,1]=4 1583 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O Amb24114097 [0,2,0,0,0,0|0,0,0]=2 1584 B11R0.173 CC(C(=O)O)N(C)CCC(=O)O Amb17561090 [0,2,0,0,0,0|1,0,0]=3 1585 B11R0.232 CC(=O)OCC(C)(C)CC(=O)O Amb28653070 [0,2,0,0,0,0|2,0,0]=4 1586 B11R0.232 NC(=O)CS(=O)(=O)CCC(=O)O Amb6260331 [0,2,0,0,0,0|2,0,0]=4 1587 B11R0.232 O=C(O)CCS(=O)(=O)CC(=O)O Amb17501260 [0,2,0,0,0,0|1,0,0]=3 1588 B11R0.150 C=C(CCC(=C)C(=O)O)C(=O)O Amb32663626 [0,2,0,0,0,0|0,0,2]=4 1589 B11R0.150 C=C(CCC(C)C(=O)O)C(=O)O Amb24065778 [0,2,0,0,0,0|0,0,1]=3 1590 B11R0.150 CC(C#CC(C)C(=O)O)C(=O)O Amb27858793 [0,2,0,0,0,0|0,0,2]=4 1591 B11R0.150 CC(SCC(=O)C(=O)O)C(=O)O Amb33069696 [0,2,0,0,0,0|1,0,1]=4 1592 B11R0.150 NC(=O)C(Br)CCC(Br)C(N)=O Amb24082357 [0,2,0,0,0,0|2,0,0]=4 1593 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O Amb10602546 [0,2,0,0,0,0|0,0,0]=2 1594 B11R0.150 O=C(Cl)C(Br)CCC(Br)C(=O)Cl Amb17672577 [0,2,0,0,0,0|2,0,0]=4 1595 B11R0.150 O=C(O)C(=O)CSC(F)C(=O)O Amb33069693 [0,2,0,0,0,0|1,0,1]=4 1596 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O Amb4036374 [0,2,0,0,0,0|0,0,0]=2 1597 B11R0.202 CC(C)(SCCC(=O)O)C(=O)O Amb17501236 [0,2,0,0,0,0|1,0,0]=3 1598 B11R0.202 NC(=O)CNCC(F)(F)C(=O)O Amb33170601 [0,2,0,0,0,0|2,0,0]=4 1599 B11R0.202 NC(=O)CSCC(F)(F)C(=O)O Amb33171151 [0,2,0,0,0,0|2,0,0]=4 1600 B11R0.273 CCC(NCCC(C)=O)C(=O)O Amb32675830 [0,2,0,0,0,0|2,0,0]=4 1601 B9R1.2 C=CC1CCCC(=O)C1 Amb28250679 [1,0,0,1,0,0|2,0,0]=4 1602 B9R1.2 C=CC1CCCC(=O)N1 Amb26036889 [1,0,0,1,0,0|2,0,0]=4 1603 B9R1.2 CC1=CCCC(C=O)O1 Amb27796530 [1,0,0,1,0,0|1,0,1]=4 1604 B9R1.2 CC1CCCC(C=O)O1 Amb27956485 [1,0,0,1,0,0|1,0,1]=4 1605 B9R1.2 CCC1CCCC(=O)O1 Amb27242548 [1,0,0,1,0,0|1,0,1]=4 1606 B9R1.2 O=C1CCCC(CBr)O1 Amb28325542 [1,0,0,1,0,0|1,0,1]=4 1607 B9R1.2 O=C1CCCC(CO)C1 Amb16231079 [1,0,0,1,0,0|1,0,1]=4 1608 B9R1.2 O=C1CCCC(CO)N1 Amb13886257 [1,0,0,1,0,0|1,0,1]=4 1609 B9R1.2 O=C1CCCC(CO)O1 Amb27980552 [1,0,0,1,0,0|0,0,1]=3 1610 B9R1.2 O=C1CCC[C@@H](CO)C1 Amb26479307 [1,0,0,1,0,0|1,0,1]=4 1611 B9R1.2 O=C1CCC[C@H](CO)N1 Amb25187085 [1,0,0,1,0,0|1,0,1]=4 1612 B9R1.2 O=CC1CC=CC(=O)O1 Amb18642367 [1,0,0,1,0,0|0,0,2]=4 1613 B9R1.2 O=CC1CCCS(=O)C1 Amb27767985 [1,0,0,1,0,0|2,0,0]=4 1614 B9R1.2 O=CN1CCCC(=O)C1 Amb27595139 [1,0,0,1,0,0|2,0,0]=4 1615 B9R1.6 CC(=O)C1C=CCCC1 Amb17593287 [1,0,0,1,0,0|2,0,0]=4 1616 B9R1.6 CC(=O)C1CCC=CO1 Amb24650635 [1,0,0,1,0,0|1,0,1]=4 1617 B9R1.6 CC(=O)C1CCCCO1 Amb23585662 [1,0,0,1,0,0|1,0,1]=4 1618 B9R1.6 CC(=O)[C@@H]1C=CCCC1 Amb25683968 [1,0,0,1,0,0|2,0,0]=4 1619 B9R1.6 CC(=O)[C@H]1CCC=CO1 Amb25349063 [1,0,0,1,0,0|1,0,1]=4 1620 B9R1.6 O=C(Cl)C1CCCCO1 Amb2723690 [1,0,0,1,0,0|1,0,1]=4 1621 B9R1.6 O=C(Cl)[C@H]1CCCCO1 Amb24478586 [1,0,0,1,0,0|1,0,1]=4 1622 B9R1.6 O=C(O)C1C=CCCC1 Amb18642396 [1,0,0,1,0,0|1,0,0]=3 1623 B9R1.6 O=C(O)C1C=CCCN1 Amb25145978 [1,0,0,1,0,0|2,0,0]=4 1624 B9R1.6 O=C(O)C1C=CCCN1 Amb35750834 [1,0,0,1,0,0|2,0,0]=4 1625 B9R1.6 O=C(O)C1C=CCNC1 Amb18642497 [1,0,0,1,0,0|2,0,0]=4 1626 B9R1.6 O=C(O)C1C=CCNC1 Amb35747468 [1,0,0,1,0,0|2,0,0]=4 1627 B9R1.6 O=C(O)C1CC=CCC1 Amb2695197 [1,0,0,1,0,0|1,0,1]=4 1628 B9R1.6 O=C(O)C1CCCCC1 Amb2721294 [1,0,0,1,0,0|1,0,1]=4 1629 B9R1.6 O=C(O)C1CCCCN1 Amb6754083 [1,0,0,1,0,0|1,0,1]=4 1630 B9R1.6 O=C(O)C1CCCCN1 Amb9703161 [1,0,0,1,0,0|1,0,1]=4 1631 B9R1.6 O=C(O)C1CCCCO1 Amb2723689 [1,0,0,1,0,0|0,0,1]=3 1632 B9R1.6 O=C(O)C1CCCCS1 Amb18202314 [1,0,0,1,0,0|0,1,1]=4 1633 B9R1.6 O=C(O)C1CCCNC1 Amb6239367 [1,0,0,1,0,0|2,0,0]=4 1634 B9R1.6 O=C(O)C1CCCNC1 Amb9703145 [1,0,0,1,0,0|2,0,0]=4 1635 B9R1.6 O=C(O)C1CCCOC1 Amb1102367 [1,0,0,1,0,0|2,0,0]=4 1636 B9R1.6 O=C(O)C1CCCSC1 Amb33545067 [1,0,0,1,0,0|2,0,0]=4 1637 B9R1.6 O=C(O)C1CCCSS1 Amb24480090 [1,0,0,1,0,0|1,1,0]=4 1638 B9R1.6 O=C(O)C1CCNC=N1 Amb27873650 [1,0,0,1,0,0|2,0,0]=4 1639 B9R1.6 O=C(O)C1CCNC=N1 Amb28935010 [1,0,0,1,0,0|2,0,0]=4 1640 B9R1.6 O=C(O)C1CNCCO1 Amb16232076 [1,0,0,1,0,0|1,0,1]=4 1641 B9R1.6 O=C(O)C1CNCCO1 Amb2696640 [1,0,0,1,0,0|1,0,1]=4 1642 B9R1.6 O=C(O)C1COCCO1 Amb5399760 [1,0,0,1,0,0|1,0,1]=4 1643 B9R1.6 O=C(O)C1CSCC=N1 Amb25887246 [1,0,0,1,0,0|2,0,0]=4 1644 B9R1.6 O=C(O)C1NCCCO1 Amb33193117 [1,0,0,1,0,0|1,0,1]=4 1645 B9R1.6 O=C(O)C1OCCCO1 Amb24715581 [1,0,0,1,0,0|1,0,1]=4 1646 B9R1.6 O=C(O)[C@@H]1CC=CCC1 Amb19131346 [1,0,0,1,0,0|1,0,1]=4 1647 B9R1.6 O=C(O)[C@@H]1CCC=CN1 Amb19888332 [1,0,0,1,0,0|1,0,1]=4 1648 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb2690345 [1,0,0,1,0,0|1,0,1]=4 1649 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb8384272 [1,0,0,1,0,0|1,0,1]=4 1650 B9R1.6 O=C(O)[C@@H]1CCCCO1 Amb22746821 [1,0,0,1,0,0|0,0,1]=3 1651 B9R1.6 O=C(O)[C@@H]1CCCNC1 Amb16232354 [1,0,0,1,0,0|2,0,0]=4 1652 B9R1.6 O=C(O)[C@@H]1CCCNC1 Amb8628966 [1,0,0,1,0,0|2,0,0]=4 1653 B9R1.6 O=C(O)[C@@H]1CCCNN1 Amb30666630 [1,0,0,1,0,0|2,0,0]=4 1654 B9R1.6 O=C(O)[C@@H]1CCCOC1 Amb26885613 [1,0,0,1,0,0|2,0,0]=4 1655 B9R1.6 O=C(O)[C@@H]1CCCSC1 Amb27826589 [1,0,0,1,0,0|2,0,0]=4 1656 B9R1.6 O=C(O)[C@@H]1CNCCO1 Amb22737231 [1,0,0,1,0,0|1,0,1]=4 1657 B9R1.6 O=C(O)[C@@H]1CNCCO1 Amb8631069 [1,0,0,1,0,0|1,0,1]=4 1658 B9R1.6 O=C(O)[C@@H]1COCCO1 Amb23438856 [1,0,0,1,0,0|1,0,1]=4 1659 B9R1.6 O=C(O)[C@H]1CC=CCC1 Amb17611453 [1,0,0,1,0,0|1,0,1]=4 1660 B9R1.6 O=C(O)[C@H]1CCC=CO1 Amb28070479 [1,0,0,1,0,0|0,0,1]=3 1661 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb2700060 [1,0,0,1,0,0|1,0,1]=4 1662 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb8515100 [1,0,0,1,0,0|1,0,1]=4 1663 B9R1.6 O=C(O)[C@H]1CCCCO1 Amb26865454 [1,0,0,1,0,0|0,0,1]=3 1664 B9R1.6 O=C(O)[C@H]1CCCNC1 Amb8384271 [1,0,0,1,0,0|2,0,0]=4 1665 B9R1.6 O=C(O)[C@H]1CCCNC1 Amb8389307 [1,0,0,1,0,0|2,0,0]=4 1666 B9R1.6 O=C(O)[C@H]1CCCNN1 Amb27154761 [1,0,0,1,0,0|2,0,0]=4 1667 B9R1.6 O=C(O)[C@H]1CCCSC1 Amb27809148 [1,0,0,1,0,0|2,0,0]=4 1668 B9R1.6 O=C(O)[C@H]1CNCCO1 Amb10067023 [1,0,0,1,0,0|1,0,1]=4 1669 B9R1.6 O=C(O)[C@H]1CNCCO1 Amb22737232 [1,0,0,1,0,0|1,0,1]=4 1670 B9R1.6 O=C(O)[C@H]1COCCO1 Amb26430807 [1,0,0,1,0,0|1,0,1]=4 1671 B9R1.6 O=C([O-])C1CCC=CO1 Amb22002689 [1,0,0,1,0,0|0,0,2]=4 1672 B9R1.6 O=C([O-])C1CCC=CO1 Amb28935027 [1,0,0,1,0,0|0,0,2]=4 1673 B9R1.7 C=CCC1CCC(=O)C1 Amb26610303 [1,0,0,1,0,0|2,0,0]=4 1674 B9R1.7 CC1=CC(CC=O)CC1 Amb27644034 [1,0,0,1,0,0|2,0,0]=4 1675 B9R1.7 CCCC1CCC(=O)O1 Amb8517544 [1,0,0,1,0,0|1,0,1]=4 1676 B9R1.7 CCC[C@H]1CCC(=O)O1 Amb28397464 [1,0,0,1,0,0|1,0,1]=4 1677 B9R1.7 CNCC1CCC(=O)O1 Amb28326084 [1,0,0,1,0,0|2,0,0]=4 1678 B9R1.7 CNC[C@@H]1CCC(=O)O1 Amb27848226 [1,0,0,1,0,0|2,0,0]=4 1679 B9R1.7 COCC1CCC(=O)O1 Amb26558471 [1,0,0,1,0,0|2,0,0]=4 1680 B9R1.7 C[C@@H]1CCC(CC=O)O1 Amb33423667 [1,0,0,1,0,0|1,0,1]=4 1681 B9R1.7 C[NH2+]C[C@@H]1CCC(=O)O1 Amb28464027 [1,0,0,1,0,0|2,0,0]=4 1682 B9R1.7 O=C1CCC(CCBr)O1 Amb27657784 [1,0,0,1,0,0|1,0,1]=4 1683 B9R1.7 O=C1CCC(CCO)N1 Amb8392541 [1,0,0,1,0,0|1,0,1]=4 1684 B9R1.7 O=C1CCC(CCS)O1 Amb28285189 [1,0,0,1,0,0|0,1,1]=4 1685 B9R1.7 O=C1CC[C@@H](CCO)N1 Amb24761403 [1,0,0,1,0,0|1,0,1]=4 1686 B9R1.7 O=C1CC[C@H](CCBr)O1 Amb27791548 [1,0,0,1,0,0|1,0,1]=4 1687 B9R1.7 O=C1CC[C@H](CCO)N1 Amb26403176 [1,0,0,1,0,0|1,0,1]=4 1688 B9R1.7 O=CCC1CCC(=O)C1 Amb18642410 [1,0,0,1,0,0|1,0,0]=3 1689 B9R1.7 O=CCC1CCC(=O)O1 Amb27873383 [1,0,0,1,0,0|0,0,0]=2 1690 B9R1.7 O=CC[C@H]1CCC(=O)C1 Amb27961372 [1,0,0,1,0,0|1,0,0]=3 1691 B9R1.9 C=CCCC1CC(=O)N1 Amb24524165 [1,0,0,1,0,0|2,0,0]=4 1692 B9R1.9 O=C\C=C/C1CC(=O)O1 Amb28202384 [1,0,0,1,0,0|0,0,2]=4 1693 B9R1.13 CC(=O)CC1C=CCC1 Amb2721318 [1,0,0,1,0,0|2,0,0]=4 1694 B9R1.13 CC(=O)CC1CCCO1 Amb13952621 [1,0,0,1,0,0|1,0,1]=4 1695 B9R1.13 NC(=O)CC1C=CCC1 Amb16233726 [1,0,0,1,0,0|2,0,0]=4 1696 B9R1.13 O=C(Cl)CC1CCCO1 Amb25921099 [1,0,0,1,0,0|1,0,1]=4 1697 B9R1.13 O=C(O)CC1C=CCC1 Amb9703199 [1,0,0,1,0,0|1,0,0]=3 1698 B9R1.13 O=C(O)CC1CC=CC1 Amb25673915 [1,0,0,1,0,0|1,0,1]=4 1699 B9R1.13 O=C(O)CC1CCCC1 Amb16192937 [1,0,0,1,0,0|1,0,1]=4 1700 B9R1.13 O=C(O)CC1CCCC1 Amb3939847 [1,0,0,1,0,0|1,0,1]=4 1701 B9R1.13 O=C(O)CC1CCCN1 Amb20668514 [1,0,0,1,0,0|1,0,1]=4 1702 B9R1.13 O=C(O)CC1CCCN1 Amb8387921 [1,0,0,1,0,0|1,0,1]=4 1703 B9R1.13 O=C(O)CC1CCCO1 Amb9713389 [1,0,0,1,0,0|0,0,1]=3 1704 B9R1.13 O=C(O)CC1CCNC1 Amb2695002 [1,0,0,1,0,0|2,0,0]=4 1705 B9R1.13 O=C(O)CC1CCNC1 Amb33549788 [1,0,0,1,0,0|2,0,0]=4 1706 B9R1.13 O=C(O)CC1CCOC1 Amb2696440 [1,0,0,1,0,0|2,0,0]=4 1707 B9R1.13 O=C(O)CC1CCSC1 Amb18202318 [1,0,0,1,0,0|2,0,0]=4 1708 B9R1.13 O=C(O)CC1CCSS1 Amb8388096 [1,0,0,1,0,0|1,1,0]=4 1709 B9R1.13 O=C(O)CC1OCCO1 Amb22740193 [1,0,0,1,0,0|1,0,1]=4 1710 B9R1.13 O=C(O)C[C@@H]1CCCN1 Amb13891876 [1,0,0,1,0,0|1,0,1]=4 1711 B9R1.13 O=C(O)C[C@@H]1CCCN1 Amb8630792 [1,0,0,1,0,0|1,0,1]=4 1712 B9R1.13 O=C(O)C[C@@H]1CCCO1 Amb24271115 [1,0,0,1,0,0|0,0,1]=3 1713 B9R1.13 O=C(O)C[C@@H]1CCNC1 Amb10067024 [1,0,0,1,0,0|2,0,0]=4 1714 B9R1.13 O=C(O)C[C@@H]1CCNC1 Amb26948232 [1,0,0,1,0,0|2,0,0]=4 1715 B9R1.13 O=C(O)C[C@@H]1CCOC1 Amb25887272 [1,0,0,1,0,0|2,0,0]=4 1716 B9R1.13 O=C(O)C[C@H]1CCCN1 Amb16184011 [1,0,0,1,0,0|1,0,1]=4 1717 B9R1.13 O=C(O)C[C@H]1CCCN1 Amb33295230 [1,0,0,1,0,0|1,0,1]=4 1718 B9R1.13 O=C(O)C[C@H]1CCCO1 Amb24271109 [1,0,0,1,0,0|0,0,1]=3 1719 B9R1.13 O=C(O)C[C@H]1CCNC1 Amb2696648 [1,0,0,1,0,0|2,0,0]=4 1720 B9R1.13 O=C(O)C[C@H]1CCNC1 Amb8384306 [1,0,0,1,0,0|2,0,0]=4 1721 B9R1.13 O=C(O)C[C@H]1CCOC1 Amb23401495 [1,0,0,1,0,0|2,0,0]=4 1722 B9R1.24 O=CC1CCCS1(=O)=O Amb27827893 [1,0,0,1,0,0|1,0,1]=4 1723 B9R1.41 C=C1CCCC1C(C)=O Amb27164651 [1,0,0,1,0,0|2,0,0]=4 1724 B9R1.41 CC(=O)C1CCCC1=O Amb6600481 [1,0,0,1,0,0|1,0,0]=3 1725 B9R1.41 CC(=O)C1CCCC1O Amb25086736 [1,0,0,1,0,0|1,0,1]=4 1726 B9R1.41 CC(=O)C1CCNC1=O Amb9782651 [1,0,0,1,0,0|2,0,0]=4 1727 B9R1.41 CC(=O)C1CCOC1=O Amb2404781 [1,0,0,1,0,0|2,0,0]=4 1728 B9R1.41 CC(=O)C1CSCC1=O Amb27838737 [1,0,0,1,0,0|2,0,0]=4 1729 B9R1.41 CC(=O)N1CCCC1=O Amb2720885 [1,0,0,1,0,0|2,0,0]=4 1730 B9R1.41 CC(=O)[C@@H]1CCC[C@H]1O Amb27440450 [1,0,0,1,0,0|1,0,1]=4 1731 B9R1.41 CC(=O)[C@H]1CCOC1=O Amb27453388 [1,0,0,1,0,0|2,0,0]=4 1732 B9R1.41 CC(=S)C1CCCC1=O Amb27947166 [1,0,0,1,0,0|1,1,0]=4 1733 B9R1.41 CC(O)C1CCCC1=O Amb27762504 [1,0,0,1,0,0|1,0,1]=4 1734 B9R1.41 CC1=C(C(=O)O)CCC1 Amb4021851 [1,0,0,1,0,0|1,0,1]=4 1735 B9R1.41 CC1CCCC1C(=O)O Amb8496598 [1,0,0,1,0,0|1,0,1]=4 1736 B9R1.41 CN1CCCC1C(=O)O Amb33545070 [1,0,0,1,0,0|2,0,0]=4 1737 B9R1.41 CN1CCCC1C(=O)O Amb8559038 [1,0,0,1,0,0|2,0,0]=4 1738 B9R1.41 CN1CCC[C@@H]1C(=O)O Amb17935722 [1,0,0,1,0,0|2,0,0]=4 1739 B9R1.41 CN1CCC[C@@H]1C(=O)O Amb18559228 [1,0,0,1,0,0|2,0,0]=4 1740 B9R1.41 CN1CCC[C@@H]1C(=O)O Amb22748316 [1,0,0,1,0,0|2,0,0]=4 1741 B9R1.41 CN1CCC[C@H]1C(=O)O Amb10604041 [1,0,0,1,0,0|2,0,0]=4 1742 B9R1.41 CN1CCC[C@H]1C(=O)O Amb22587172 [1,0,0,1,0,0|2,0,0]=4 1743 B9R1.41 CN1CCC[C@H]1C(=O)O Amb9825903 [1,0,0,1,0,0|2,0,0]=4 1744 B9R1.41 C[C@@H]1CCCC1C(=O)O Amb27167847 [1,0,0,1,0,0|1,0,1]=4 1745 B9R1.41 C[C@@H]1CCC[C@@H]1C(=O)O Amb10843957 [1,0,0,1,0,0|1,0,1]=4 1746 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O Amb10843949 [1,0,0,1,0,0|1,0,1]=4 1747 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O Amb10843959 [1,0,0,1,0,0|1,0,1]=4 1748 B9R1.41 C[C@H]1CCC[C@H]1C(=O)O Amb10843950 [1,0,0,1,0,0|1,0,1]=4 1749 B9R1.41 NC(=O)C1CCCC1=O Amb16233729 [1,0,0,1,0,0|1,0,0]=3 1750 B9R1.41 NC(=O)C1CCCC1O Amb25310986 [1,0,0,1,0,0|1,0,1]=4 1751 B9R1.41 NC(=O)C1CCCN1O Amb27607865 [1,0,0,1,0,0|2,0,0]=4 1752 B9R1.41 NC(=O)N1CCCC1=O Amb569706 [1,0,0,1,0,0|2,0,0]=4 1753 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O Amb8515027 [1,0,0,1,0,0|1,0,1]=4 1754 B9R1.41 NC(=O)[C@H]1CCC[C@H]1O Amb26630221 [1,0,0,1,0,0|1,0,1]=4 1755 B9R1.41 NC1=C(C(=O)O)CCC1 Amb20240586 [1,0,0,1,0,0|1,0,1]=4 1756 B9R1.41 NC1CCCC1C(=O)O Amb2697364 [1,0,0,1,0,0|1,0,1]=4 1757 B9R1.41 NC1CCCC1C(=O)O Amb8630257 [1,0,0,1,0,0|1,0,1]=4 1758 B9R1.41 NN1CCCC1C(=O)O Amb18642792 [1,0,0,1,0,0|2,0,0]=4 1759 B9R1.41 NN1CCC[C@H]1C(=O)O Amb25887284 [1,0,0,1,0,0|2,0,0]=4 1760 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Amb8387462 [1,0,0,1,0,0|1,0,1]=4 1761 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Amb8516030 [1,0,0,1,0,0|1,0,1]=4 1762 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Amb20241297 [1,0,0,1,0,0|1,0,1]=4 1763 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Amb33524005 [1,0,0,1,0,0|1,0,1]=4 1764 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O Amb20241298 [1,0,0,1,0,0|1,0,1]=4 1765 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O Amb22224860 [1,0,0,1,0,0|1,0,1]=4 1766 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Amb1993719 [1,0,0,1,0,0|1,0,1]=4 1767 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Amb1993764 [1,0,0,1,0,0|1,0,1]=4 1768 B9R1.41 O=C(Cl)C1CCCC1=O Amb21961757 [1,0,0,1,0,0|1,0,0]=3 1769 B9R1.41 O=C(Cl)C1CCCC1O Amb24524192 [1,0,0,1,0,0|1,0,1]=4 1770 B9R1.41 O=C(Cl)N1CCCC1=O Amb26419839 [1,0,0,1,0,0|2,0,0]=4 1771 B9R1.41 O=C(Cl)[C@@H]1CCC[C@@H]1O Amb27475951 [1,0,0,1,0,0|1,0,1]=4 1772 B9R1.41 O=C(O)C1=C(Cl)CCC1 Amb2612728 [1,0,0,1,0,0|1,0,1]=4 1773 B9R1.41 O=C(O)C1=C(S)CCC1 Amb27815303 [1,0,0,1,0,0|0,1,1]=4 1774 B9R1.41 O=C(O)C1CCCC1=O Amb18642571 [1,0,0,1,0,0|0,0,0]=2 1775 B9R1.41 O=C(O)C1CCCC1O Amb19148040 [1,0,0,1,0,0|0,0,1]=3 1776 B9R1.41 O=C(O)C1CCCC1S Amb18280971 [1,0,0,1,0,0|0,1,1]=4 1777 B9R1.41 O=C(O)C1CCNC1=O Amb18642691 [1,0,0,1,0,0|1,0,0]=3 1778 B9R1.41 O=C(O)C1CCOC1=O Amb17593365 [1,0,0,1,0,0|1,0,0]=3 1779 B9R1.41 O=C(O)C1CNCC1O Amb22886381 [1,0,0,1,0,0|1,0,1]=4 1780 B9R1.41 O=C(O)C1CNCC1O Amb26026738 [1,0,0,1,0,0|1,0,1]=4 1781 B9R1.41 O=C(O)C1COCC1O Amb27270738 [1,0,0,1,0,0|1,0,1]=4 1782 B9R1.41 O=C(O)C1CSCC1=O Amb16230660 [1,0,0,1,0,0|1,0,0]=3 1783 B9R1.41 O=C(O)C1CSCC1O Amb18831363 [1,0,0,1,0,0|1,0,1]=4 1784 B9R1.41 O=C(O)C1NCCC1O Amb22387784 [1,0,0,1,0,0|1,0,1]=4 1785 B9R1.41 O=C(O)C1NCC[C@@H]1O Amb34913313 [1,0,0,1,0,0|1,0,1]=4 1786 B9R1.41 O=C(O)[C@@H]1CNC[C@@H]1O Amb27186915 [1,0,0,1,0,0|1,0,1]=4 1787 B9R1.41 O=C(O)[C@@H]1CNC[C@H]1O Amb24120417 [1,0,0,1,0,0|1,0,1]=4 1788 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O Amb22230426 [1,0,0,1,0,0|1,0,1]=4 1789 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O Amb33801217 [1,0,0,1,0,0|1,0,1]=4 1790 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O Amb33801367 [1,0,0,1,0,0|1,0,1]=4 1791 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Amb22746713 [1,0,0,1,0,0|1,0,1]=4 1792 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Amb24183557 [1,0,0,1,0,0|1,0,1]=4 1793 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Amb27437088 [1,0,0,1,0,0|0,0,1]=3 1794 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Amb22747315 [1,0,0,1,0,0|0,0,1]=3 1795 B9R1.41 O=C(O)[C@H]1CNC[C@@H]1O Amb27421639 [1,0,0,1,0,0|1,0,1]=4 1796 B9R1.41 O=C(O)[C@H]1CNC[C@H]1O Amb27818119 [1,0,0,1,0,0|1,0,1]=4 1797 B9R1.41 O=C(O)[C@H]1NCCC1O Amb10604192 [1,0,0,1,0,0|1,0,1]=4 1798 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O Amb24055327 [1,0,0,1,0,0|1,0,1]=4 1799 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O Amb34154004 [1,0,0,1,0,0|1,0,1]=4 1800 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O Amb8515204 [1,0,0,1,0,0|1,0,1]=4 1801 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O Amb22746928 [1,0,0,1,0,0|1,0,1]=4 1802 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O Amb23439285 [1,0,0,1,0,0|1,0,1]=4 1803 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O Amb24183503 [1,0,0,1,0,0|1,0,1]=4 1804 B9R1.41 O=C1CCCC1[N+](=O)[O-] Amb18832578 [1,0,0,1,0,0|1,0,1]=4 1805 B9R1.46 CC1CC1CCC(=O)O Amb27220003 [1,0,0,1,0,0|1,0,1]=4 1806 B9R1.46 O=C(O)CCC1=C(Br)C1 Amb27650642 [1,0,0,1,0,0|1,0,1]=4 1807 B9R1.48 CC1=CC(=O)CCCC1 Amb17593284 [1,0,0,1,0,0|2,0,0]=4 1808 B9R1.48 CC1CCCCC(=O)O1 Amb27792220 [1,0,0,1,0,0|1,0,1]=4 1809 B9R1.48 O=C1CCCCC(=O)C1 Amb10603368 [1,0,0,1,0,0|1,0,0]=3 1810 B9R1.48 O=C1CCCCC(=O)N1 Amb8439258 [1,0,0,1,0,0|1,0,0]=3 1811 B9R1.48 O=C1CCCCC(=O)O1 Amb8487366 [1,0,0,1,0,0|0,0,0]=2 1812 B9R1.48 O=C1CCCCC(=S)N1 Amb24374795 [1,0,0,1,0,0|1,1,0]=4 1813 B9R1.48 O=C1CCCCC(O)C1 Amb27838745 [1,0,0,1,0,0|1,0,1]=4 1814 B9R1.48 O=C1CCCCC(O)O1 Amb27424648 [1,0,0,1,0,0|0,0,1]=3 1815 B9R1.48 O=C1CCCC[C@H](O)C1 Amb27618242 [1,0,0,1,0,0|1,0,1]=4 1816 B9R1.48 O=C1CCCNC(=O)C1 Amb18832700 [1,0,0,1,0,0|2,0,0]=4 1817 B9R1.50 O=C1CCCCCCO1 Amb27468239 [1,0,0,1,0,0|1,0,1]=4 1818 B9R1.59 CC(=O)C1CC1CC=O Amb28058511 [1,0,0,1,0,0|1,0,0]=3 1819 B9R1.59 CC(=O)[C@@H]1C[C@@H]1CC=O Amb27229169 [1,0,0,1,0,0|1,0,0]=3 1820 B9R1.59 CCCC1CC1C(=O)O Amb19001459 [1,0,0,1,0,0|1,0,1]=4 1821 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O Amb9901777 [1,0,0,1,0,0|1,0,1]=4 1822 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Amb25368727 [1,0,0,1,0,0|1,0,1]=4 1823 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O Amb27782329 [1,0,0,1,0,0|1,0,1]=4 1824 B9R1.59 COCC1CC1C(=O)O Amb27404704 [1,0,0,1,0,0|2,0,0]=4 1825 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O Amb33098418 [1,0,0,1,0,0|2,0,0]=4 1826 B9R1.59 COC[C@H]1C[C@H]1C(=O)O Amb33098416 [1,0,0,1,0,0|2,0,0]=4 1827 B9R1.59 CSCC1CC1C(=O)O Amb33272939 [1,0,0,1,0,0|2,0,0]=4 1828 B9R1.59 CSC[C@@H]1C[C@H]1C(=O)O Amb33272937 [1,0,0,1,0,0|2,0,0]=4 1829 B9R1.59 C\C=C\C1CC1C(=O)O Amb27169581 [1,0,0,1,0,0|1,0,1]=4 1830 B9R1.59 C\C=C\[C@@H]1C[C@H]1C(=O)O Amb27771439 [1,0,0,1,0,0|1,0,1]=4 1831 B9R1.59 O=C(O)C1CC1CCF Amb33196442 [1,0,0,1,0,0|1,0,1]=4 1832 B9R1.59 O=C(O)[C@@H]1C[C@H]1CCF Amb33196453 [1,0,0,1,0,0|1,0,1]=4 1833 B9R1.67 NC(=O)CN1CCC1=O Amb28049662 [1,0,0,1,0,0|2,0,0]=4 1834 B9R1.67 O=C(O)CC1CCC1F Amb33351668 [1,0,0,1,0,0|1,0,1]=4 1835 B9R1.84 O=C(O)CCC1CCC1 Amb8011305 [1,0,0,1,0,0|1,0,1]=4 1836 B9R1.84 O=C(O)CCC1CCO1 Amb28280741 [1,0,0,1,0,0|0,0,1]=3 1837 B9R1.84 O=C(O)CC[C@@H]1CCN1 Amb27439305 [1,0,0,1,0,0|1,0,1]=4 1838 B9R1.84 O=C([O-])CCC1CCO1 Amb32663662 [1,0,0,1,0,0|0,0,2]=4 1839 B9R1.85 O=C(O)CCCC1CC1 Amb18832629 [1,0,0,1,0,0|1,0,1]=4 1840 B9R1.85 O=C(O)CCCC1CO1 Amb28453878 [1,0,0,1,0,0|0,0,1]=3 1841 B9R1.85 O=C(O)CCC[C@@H]1CO1 Amb27257665 [1,0,0,1,0,0|0,0,1]=3 1842 B9R1.86 CCC1CC1CC(=O)O Amb27249848 [1,0,0,1,0,0|1,0,1]=4 1843 B9R1.86 O=C(O)CC1CC1CF Amb27237859 [1,0,0,1,0,0|1,0,1]=4 1844 B9R1.96 CCC1CCC1C(=O)O Amb25727014 [1,0,0,1,0,0|1,0,1]=4 1845 B9R1.96 COC1CCC1C(=O)O Amb26516125 [1,0,0,1,0,0|2,0,0]=4 1846 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O Amb34912847 [1,0,0,1,0,0|2,0,0]=4 1847 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O Amb26636288 [1,0,0,1,0,0|2,0,0]=4 1848 B9R1.96 N#CC1CCC1C(=O)O Amb26949285 [1,0,0,1,0,0|1,0,1]=4 1849 B9R1.96 NC(=O)C1CCN1C=O Amb33251168 [1,0,0,1,0,0|2,0,0]=4 1850 B9R1.96 NC[C@@H]1CC[C@H]1C(=O)O Amb27259838 [1,0,0,1,0,0|1,0,1]=4 1851 B9R1.96 O=C(O)C1CCC1CF Amb20667674 [1,0,0,1,0,0|1,0,1]=4 1852 B9R1.96 O=C(O)C1CCC1CO Amb24340315 [1,0,0,1,0,0|0,0,1]=3 1853 B9R1.96 O=C(O)N1CCC1CO Amb22756926 [1,0,0,1,0,0|1,0,1]=4 1854 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [0,0,0,1,1,0|2,0,0]=4 1855 B9R1.35 CC(=O)C1CCC(=O)C1 Amb24423910 [0,0,0,1,1,0|2,0,0]=4 1856 B9R1.35 CC(=O)C1CCC(=O)O1 Amb3428694 [0,0,0,1,1,0|1,0,0]=3 1857 B9R1.35 CC(=O)[C@@H]1CCC(=O)C1 Amb24407171 [0,0,0,1,1,0|2,0,0]=4 1858 B9R1.35 CC(=O)[C@@H]1CCC(=O)N1 Amb27167616 [0,0,0,1,1,0|2,0,0]=4 1859 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [0,0,0,1,1,0|1,0,0]=3 1860 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 Amb26590768 [0,0,0,1,1,0|2,0,0]=4 1861 B9R1.35 CC(=O)[C@H]1CCC(=O)N1 Amb27877407 [0,0,0,1,1,0|2,0,0]=4 1862 B9R1.35 CC(O)C1CCC(=O)O1 Amb25998293 [0,0,0,1,1,0|1,0,1]=4 1863 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [0,0,0,1,1,0|2,0,0]=4 1864 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [0,0,0,1,1,0|2,0,0]=4 1865 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [0,0,0,1,1,0|2,0,0]=4 1866 B9R1.35 CC1CCC(C(=O)O)O1 Amb17593370 [0,0,0,1,1,0|1,0,1]=4 1867 B9R1.35 C[C@@H]1CCC(C(=O)O)O1 Amb33423875 [0,0,0,1,1,0|1,0,1]=4 1868 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 Amb22886534 [0,0,0,1,1,0|1,0,1]=4 1869 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 Amb24651587 [0,0,0,1,1,0|1,0,1]=4 1870 B9R1.35 NC(=O)C1CCC(=O)N1 Amb17142856 [0,0,0,1,1,0|2,0,0]=4 1871 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [0,0,0,1,1,0|1,0,0]=3 1872 B9R1.35 NC(=O)C1CNC(=O)O1 Amb27200796 [0,0,0,1,1,0|2,0,0]=4 1873 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 Amb4018786 [0,0,0,1,1,0|2,0,0]=4 1874 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [0,0,0,1,1,0|1,0,0]=3 1875 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 Amb27961076 [0,0,0,1,1,0|2,0,0]=4 1876 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 Amb26909560 [0,0,0,1,1,0|1,0,0]=3 1877 B9R1.35 NC(=S)C1CCC(=O)O1 Amb27791679 [0,0,0,1,1,0|1,1,0]=4 1878 B9R1.35 NC1=NC(C(=O)O)CC1 Amb32718833 [0,0,0,1,1,0|2,0,0]=4 1879 B9R1.35 NC1=N[C@@H](C(=O)O)CC1 Amb27202599 [0,0,0,1,1,0|2,0,0]=4 1880 B9R1.35 O=C(O)C1CCC(O)C1 Amb21963572 [0,0,0,1,1,0|1,0,1]=4 1881 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [0,0,0,1,1,0|1,1,0]=4 1882 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Amb22746558 [0,0,0,1,1,0|1,0,1]=4 1883 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Amb27784295 [0,0,0,1,1,0|1,0,1]=4 1884 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Amb26960428 [0,0,0,1,1,0|1,0,1]=4 1885 B9R1.35 O=C(O)[C@H]1CC[C@H](O)N1 Amb27421972 [0,0,0,1,1,0|1,0,1]=4 1886 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [0,0,0,1,1,0|1,0,1]=4 1887 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [0,0,0,1,1,0|2,0,0]=4 1888 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [0,0,0,1,1,0|2,0,0]=4 1889 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [0,0,0,1,1,0|2,0,0]=4 1890 B9R1.35 O=C1CCC(C(=O)Cl)C1 Amb25282784 [0,0,0,1,1,0|2,0,0]=4 1891 B9R1.35 O=C1CCC(C(=O)Cl)N1 Amb17142869 [0,0,0,1,1,0|2,0,0]=4 1892 B9R1.35 O=C1CCC(C(=O)Cl)O1 Amb24648754 [0,0,0,1,1,0|1,0,0]=3 1893 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [0,0,0,1,1,0|1,0,0]=3 1894 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [0,0,0,1,1,0|1,0,0]=3 1895 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [0,0,0,1,1,0|0,0,0]=2 1896 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [0,0,0,1,1,0|0,1,0]=3 1897 B9R1.35 O=C1CCC(C(=O)[O-])N1 Amb8514777 [0,0,0,1,1,0|1,0,1]=4 1898 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 Amb22388653 [0,0,0,1,1,0|1,0,0]=3 1899 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [0,0,0,1,1,0|1,0,0]=3 1900 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [0,0,0,1,1,0|1,0,0]=3 1901 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [0,0,0,1,1,0|1,0,0]=3 1902 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [0,0,0,1,1,0|0,0,0]=2 1903 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 Amb8395173 [0,0,0,1,1,0|1,0,1]=4 1904 B9R1.35 O=C1CC[C@H](C(=O)Cl)O1 Amb22747149 [0,0,0,1,1,0|1,0,0]=3 1905 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [0,0,0,1,1,0|1,0,0]=3 1906 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [0,0,0,1,1,0|1,0,0]=3 1907 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [0,0,0,1,1,0|0,0,0]=2 1908 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [0,0,0,1,1,0|2,0,0]=4 1909 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [0,0,0,1,1,0|2,0,0]=4 1910 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [0,0,0,1,1,0|2,0,0]=4 1911 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [0,0,0,1,1,0|2,0,0]=4 1912 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [0,0,0,1,1,0|2,0,0]=4 1913 B9R1.35 O=C1CSC(C(=O)Cl)O1 Amb25724287 [0,0,0,1,1,0|2,0,0]=4 1914 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [0,0,0,1,1,0|2,0,0]=4 1915 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [0,0,0,1,1,0|1,0,0]=3 1916 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [0,0,0,1,1,0|2,0,0]=4 1917 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [0,0,0,1,1,0|2,0,0]=4 1918 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [0,0,0,1,1,0|2,0,0]=4 1919 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [0,0,0,1,1,0|2,0,0]=4 1920 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [0,0,0,1,1,0|2,0,0]=4 1921 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [0,0,0,1,1,0|2,0,0]=4 1922 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [0,0,0,1,1,0|1,0,0]=3 1923 B9R1.35 O=C1NCC(C(=O)O)S1 Amb24084914 [0,0,0,1,1,0|1,1,0]=4 1924 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [0,0,0,1,1,0|2,0,0]=4 1925 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [0,0,0,1,1,0|1,0,0]=3 1926 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [0,0,0,1,1,0|2,0,0]=4 1927 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [0,0,0,1,1,0|1,0,0]=3 1928 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [0,0,0,1,1,0|2,0,0]=4 1929 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [0,0,0,1,1,0|2,0,0]=4 1930 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [0,0,0,1,1,0|2,0,0]=4 1931 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [0,0,0,1,1,0|2,0,0]=4 1932 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [0,0,0,1,1,0|1,0,0]=3 1933 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [0,0,0,1,1,0|1,1,0]=4 1934 B9R1.49 O=C1C=CC(=O)CCC1 Amb28351041 [0,0,0,1,1,0|2,0,0]=4 1935 B9R1.49 O=C1CCCC(O)CO1 Amb28138759 [0,0,0,1,1,0|1,0,1]=4 1936 B9R1.49 O=C1COC(=O)CCN1 Amb27168286 [0,0,0,1,1,0|2,0,0]=4 1937 B9R1.53 C=C1CC(CC(=O)O)C1 Amb35788335 [0,0,0,1,1,0|2,0,0]=4 1938 B9R1.53 CC(=O)CC1CC(=O)N1 Amb26593659 [0,0,0,1,1,0|2,0,0]=4 1939 B9R1.53 NC(=O)CC1CC(=O)N1 Amb27186130 [0,0,0,1,1,0|2,0,0]=4 1940 B9R1.53 O=C(O)CC1CC(=O)C1 Amb27493654 [0,0,0,1,1,0|1,0,0]=3 1941 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [0,0,0,1,1,0|1,0,0]=3 1942 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 Amb26043308 [0,0,0,1,1,0|1,0,1]=4 1943 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 Amb25204858 [0,0,0,1,1,0|1,0,1]=4 1944 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [0,0,0,1,1,0|2,0,0]=4 1945 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [0,0,0,1,1,0|2,0,0]=4 1946 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [0,0,0,1,1,0|2,0,0]=4 1947 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [0,0,0,1,1,0|2,0,0]=4 1948 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [0,0,0,1,1,0|2,0,0]=4 1949 B9R1.161 CC(O)C1CC1C(=O)O Amb25888760 [0,0,0,1,1,0|1,0,1]=4 1950 B9R1.161 CC(O)[C@@H]1C[C@@H]1C(=O)O Amb28457538 [0,0,0,1,1,0|1,0,1]=4 1951 B9R1.161 CC(O)[C@@H]1C[C@H]1C(=O)O Amb27489157 [0,0,0,1,1,0|1,0,1]=4 1952 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,0,0,1,1,0|1,0,0]=3 1953 B9R1.161 NC(=O)C1CC1C(N)=O Amb27661569 [0,0,0,1,1,0|2,0,0]=4 1954 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [0,0,0,1,1,0|2,0,0]=4 1955 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [0,0,0,1,1,0|1,0,0]=3 1956 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [0,0,0,1,1,0|1,0,0]=3 1957 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [0,0,0,1,1,0|1,0,0]=3 1958 B9R1.161 O=C(O)C1CC1B(O)O Amb27599742 [0,0,0,1,1,0|1,0,1]=4 1959 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [0,0,0,1,1,0|1,0,0]=3 1960 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [0,0,0,1,1,0|0,0,0]=2 1961 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] Amb9197005 [0,0,0,1,1,0|1,0,1]=4 1962 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [0,0,0,1,1,0|1,0,0]=3 1963 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [0,0,0,1,1,0|0,0,0]=2 1964 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb25109456 [0,0,0,1,1,0|1,0,1]=4 1965 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [0,0,0,1,1,0|1,0,0]=3 1966 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [0,0,0,1,1,0|0,0,0]=2 1967 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] Amb26439479 [0,0,0,1,1,0|1,0,1]=4 1968 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [0,0,0,1,1,0|0,0,0]=2 1969 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [0,0,0,1,1,0|1,0,0]=3 1970 B9R1.166 O=C(O)C1CCS1(=O)=O Amb33309510 [0,0,0,1,1,0|1,0,1]=4 1971 B11R1.75 C=C1CCN(CCC(=O)O)C1 Amb30028136 [0,0,0,1,0,1|2,0,0]=4 1972 B11R1.75 CC(=O)CCC1CCC(=O)C1 Amb25984891 [0,0,0,1,0,1|2,0,0]=4 1973 B11R1.75 CC(=O)CCC1CCC(=O)N1 Amb27438091 [0,0,0,1,0,1|2,0,0]=4 1974 B11R1.75 CC(=O)CCC1CCC(=O)O1 Amb27750716 [0,0,0,1,0,1|1,0,0]=3 1975 B11R1.75 CC(=O)CSC1COC(=O)O1 Amb27840334 [0,0,0,1,0,1|2,0,0]=4 1976 B11R1.75 CC(=O)NCC1CNC(=O)O1 Amb26630198 [0,0,0,1,0,1|2,0,0]=4 1977 B11R1.75 CC(=O)NC[C@H]1CNC(=O)O1 Amb24484739 [0,0,0,1,0,1|2,0,0]=4 1978 B11R1.75 CC(=O)OCC1CCC(=O)C1 Amb25821465 [0,0,0,1,0,1|2,0,0]=4 1979 B11R1.75 CC(=O)OCC1CCC(=O)N1 Amb24486136 [0,0,0,1,0,1|2,0,0]=4 1980 B11R1.75 CC(=O)OCC1CNC(=O)O1 Amb28122349 [0,0,0,1,0,1|2,0,0]=4 1981 B11R1.75 CC(=O)OC[C@@H]1CCC(=O)C1 Amb27749663 [0,0,0,1,0,1|2,0,0]=4 1982 B11R1.75 CC(=O)SCC1CNC(=O)O1 Amb27831473 [0,0,0,1,0,1|2,0,0]=4 1983 B11R1.75 CC(O)CCC1CCC(=O)O1 Amb27484707 [0,0,0,1,0,1|1,0,1]=4 1984 B11R1.75 CC1CCC(CCC(=O)O)O1 Amb20623187 [0,0,0,1,0,1|1,0,1]=4 1985 B11R1.75 C[C@@H]1CCC(CCC(=O)O)O1 Amb33423436 [0,0,0,1,0,1|1,0,1]=4 1986 B11R1.75 C[C@@H]1CCC(OCC(=O)O)O1 Amb33484806 [0,0,0,1,0,1|1,0,1]=4 1987 B11R1.75 C[C@H]1CC[C@@H](CCC(=O)O)O1 Amb27637655 [0,0,0,1,0,1|1,0,1]=4 1988 B11R1.75 NC(=O)NCC1CCC(=O)N1 Amb27964426 [0,0,0,1,0,1|2,0,0]=4 1989 B11R1.75 NC(=O)OCC1COC(=O)O1 Amb28121041 [0,0,0,1,0,1|2,0,0]=4 1990 B11R1.75 O=C(O)CCC1CCC(=O)N1 Amb551261 [0,0,0,1,0,1|1,0,0]=3 1991 B11R1.75 O=C(O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,0,1|0,0,0]=2 1992 B11R1.75 O=C(O)CCC1CNC(=O)N1 Amb27955291 [0,0,0,1,0,1|1,0,0]=3 1993 B11R1.75 O=C(O)CCC1COC(=O)N1 Amb24358987 [0,0,0,1,0,1|1,0,0]=3 1994 B11R1.75 O=C(O)CCC1NC(=O)CS1 Amb27758647 [0,0,0,1,0,1|1,0,0]=3 1995 B11R1.75 O=C(O)CCN1CC[C@H](O)C1 Amb28287639 [0,0,0,1,0,1|1,0,1]=4 1996 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 Amb27622656 [0,0,0,1,0,1|1,0,0]=3 1997 B11R1.75 O=C(O)CC[C@@H]1C[C@@H](O)CN1 Amb27421983 [0,0,0,1,0,1|1,0,1]=4 1998 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 Amb27627802 [0,0,0,1,0,1|1,0,0]=3 1999 B11R1.75 O=C(O)CC[C@H]1COC(=O)C1 Amb28123271 [0,0,0,1,0,1|1,0,0]=3 2000 B11R1.75 O=C(O)CNC1CNC(=O)C1 Amb26879759 [0,0,0,1,0,1|2,0,0]=4 2001 B11R1.75 O=C(O)CSC1CCC(=O)N1 Amb2428430 [0,0,0,1,0,1|1,0,0]=3 2002 B11R1.154 O=C(O)CCCC1CC(=O)N1 Amb27988472 [0,0,0,1,0,1|1,0,0]=3 2003 B11R1.154 O=C(O)CCNC1CC(O)C1 Amb27269322 [0,0,0,1,0,1|1,0,1]=4 2004 B11R1.154 O=C(O)CCSC1CC(=O)N1 Amb27990259 [0,0,0,1,0,1|1,0,0]=3 2005 B11R1.157 CC(=O)CC1CCCC(=O)N1 Amb24634713 [0,0,0,1,0,1|2,0,0]=4 2006 B11R1.157 CC(=O)S[C@@H]1CCCC(=O)C1 Amb28200665 [0,0,0,1,0,1|2,0,0]=4 2007 B11R1.157 CC(O)CC1CCCC(=O)O1 Amb28065238 [0,0,0,1,0,1|1,0,1]=4 2008 B11R1.157 CC1=C[C@H](CC(=O)O)CCC1 Amb27823732 [0,0,0,1,0,1|2,0,0]=4 2009 B11R1.157 CC1CCCC(CC(=O)O)O1 Amb18126127 [0,0,0,1,0,1|1,0,1]=4 2010 B11R1.157 C[C@@H](O)C[C@H]1CCCC(=O)O1 Amb27213971 [0,0,0,1,0,1|1,0,1]=4 2011 B11R1.157 C[C@@H]1CCC[C@H](CC(=O)O)O1 Amb27657703 [0,0,0,1,0,1|1,0,1]=4 2012 B11R1.157 C[C@H](O)C[C@@H]1CCCC(=O)O1 Amb27218939 [0,0,0,1,0,1|1,0,1]=4 2013 B11R1.157 N=C1NCCC(CC(=O)O)N1 Amb27863459 [0,0,0,1,0,1|2,0,0]=4 2014 B11R1.157 NC(=O)CC1CCCC(=O)N1 Amb19515424 [0,0,0,1,0,1|2,0,0]=4 2015 B11R1.157 NC(=O)CC1CNCC(=O)N1 Amb27636641 [0,0,0,1,0,1|2,0,0]=4 2016 B11R1.157 O=C(O)CC1C=C(Cl)CCC1 Amb27407075 [0,0,0,1,0,1|2,0,0]=4 2017 B11R1.157 O=C(O)CC1CCCC(=O)C1 Amb8487121 [0,0,0,1,0,1|1,0,0]=3 2018 B11R1.157 O=C(O)CC1CCCC(=O)N1 Amb18200018 [0,0,0,1,0,1|1,0,0]=3 2019 B11R1.157 O=C(O)CC1CCCC(O)C1 Amb18645020 [0,0,0,1,0,1|1,0,1]=4 2020 B11R1.157 O=C(O)CC1CCNC(=O)C1 Amb18200020 [0,0,0,1,0,1|1,0,0]=3 2021 B11R1.157 O=C(O)CC1CNCC(=O)N1 Amb25800398 [0,0,0,1,0,1|1,0,0]=3 2022 B11R1.157 O=C(O)CN1CCCC(=O)C1 Amb18200026 [0,0,0,1,0,1|1,0,0]=3 2023 B11R1.157 O=C(O)CN1CCCC(O)C1 Amb15701257 [0,0,0,1,0,1|1,0,1]=4 2024 B11R1.157 O=C(O)CN1CCC[C@@H](O)C1 Amb22224754 [0,0,0,1,0,1|1,0,1]=4 2025 B11R1.157 O=C(O)CN1CCC[C@H](O)C1 Amb22224789 [0,0,0,1,0,1|1,0,1]=4 2026 B11R1.157 O=C(O)CN1CCNC(=O)C1 Amb2235553 [0,0,0,1,0,1|2,0,0]=4 2027 B11R1.157 O=C(O)CN1CCNC(=O)C1 Amb32668970 [0,0,0,1,0,1|2,0,0]=4 2028 B11R1.157 O=C(O)CN1CCOC(=O)C1 Amb1093951 [0,0,0,1,0,1|2,0,0]=4 2029 B11R1.157 O=C(O)CN1CCOC(=O)S1 Amb28124198 [0,0,0,1,0,1|1,1,0]=4 2030 B11R1.157 O=C(O)C[C@@H]1CCCC(=O)N1 Amb27397390 [0,0,0,1,0,1|1,0,0]=3 2031 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 Amb28289879 [0,0,0,1,0,1|1,0,0]=3 2032 B11R1.157 O=C(O)C[C@H]1CCCC(=O)N1 Amb27983727 [0,0,0,1,0,1|1,0,0]=3 2033 B11R1.177 C[C@@]1(O)CCCC[C@H]1C(=O)O Amb35664180 [0,0,0,1,0,1|1,0,1]=4 2034 B11R1.177 O=C(O)C1CCCCS1(=O)=O Amb20669083 [0,0,0,1,0,1|1,0,1]=4 2035 B11R1.177 O=C(O)C1CCCNS1(=O)=O Amb31156585 [0,0,0,1,0,1|1,0,1]=4 2036 B11R1.178 C=C(C)C1OCCC1C(=O)O Amb25149367 [0,0,0,1,0,1|2,0,0]=4 2037 B11R1.178 C=C(C)N1CCCC1C(=O)O Amb27176559 [0,0,0,1,0,1|2,0,0]=4 2038 B11R1.178 C=C(C)[C@@H]1OCC[C@@H]1C(=O)O Amb26585795 [0,0,0,1,0,1|2,0,0]=4 2039 B11R1.178 C=C(C)[C@H]1OCC[C@H]1C(=O)O Amb25176580 [0,0,0,1,0,1|2,0,0]=4 2040 B11R1.178 CC(=O)C1CCCC1C(=O)O Amb28120981 [0,0,0,1,0,1|1,0,0]=3 2041 B11R1.178 CC(=O)C1CCCC1C(C)=O Amb25792934 [0,0,0,1,0,1|2,0,0]=4 2042 B11R1.178 CC(=O)C1CNCC1C(=O)O Amb2694843 [0,0,0,1,0,1|1,0,0]=3 2043 B11R1.178 CC(=O)N1CCCC1C(=O)O Amb9745654 [0,0,0,1,0,1|1,0,0]=3 2044 B11R1.178 CC(=O)N1CCCC1C(N)=O Amb4013544 [0,0,0,1,0,1|2,0,0]=4 2045 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Amb10072246 [0,0,0,1,0,1|1,0,0]=3 2046 B11R1.178 CC(=O)N1CCC[C@@H]1C(N)=O Amb22756686 [0,0,0,1,0,1|2,0,0]=4 2047 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)Cl Amb27265756 [0,0,0,1,0,1|2,0,0]=4 2048 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Amb1154281 [0,0,0,1,0,1|1,0,0]=3 2049 B11R1.178 CC(=O)N1CCC[C@H]1C(N)=O Amb8393632 [0,0,0,1,0,1|2,0,0]=4 2050 B11R1.178 CC(=O)N1CCSC1C(=O)O Amb18647907 [0,0,0,1,0,1|2,0,0]=4 2051 B11R1.178 CC(=O)N1COCC1C(=O)O Amb27237614 [0,0,0,1,0,1|2,0,0]=4 2052 B11R1.178 CC(=O)N1CSCC1C(=O)O Amb9723702 [0,0,0,1,0,1|2,0,0]=4 2053 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O Amb18795582 [0,0,0,1,0,1|2,0,0]=4 2054 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O Amb17608078 [0,0,0,1,0,1|2,0,0]=4 2055 B11R1.178 CC(=O)[C@@H]1CCCN1C(C)=O Amb28422607 [0,0,0,1,0,1|2,0,0]=4 2056 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(C)=O Amb25270242 [0,0,0,1,0,1|2,0,0]=4 2057 B11R1.178 CS(=O)N1CCCC1C(=O)O Amb28195242 [0,0,0,1,0,1|2,0,0]=4 2058 B11R1.178 CS(=O)N1CCC[C@H]1C(=O)O Amb27777985 [0,0,0,1,0,1|2,0,0]=4 2059 B11R1.178 N=C(N)N1CCCC1C(=O)O Amb22330609 [0,0,0,1,0,1|2,0,0]=4 2060 B11R1.178 N=C(N)N1CCC[C@@H]1C(=O)O Amb28342282 [0,0,0,1,0,1|2,0,0]=4 2061 B11R1.178 N=C(N)N1CCC[C@H]1C(=O)O Amb22586483 [0,0,0,1,0,1|2,0,0]=4 2062 B11R1.178 NC(=O)C1CCCC1C(=O)O Amb25714211 [0,0,0,1,0,1|1,0,0]=3 2063 B11R1.178 NC(=O)C1CCCC1C(N)=O Amb4418382 [0,0,0,1,0,1|2,0,0]=4 2064 B11R1.178 NC(=O)C1CCCN1C(=O)Cl Amb28069587 [0,0,0,1,0,1|2,0,0]=4 2065 B11R1.178 NC(=O)C1CCCN1C(N)=O Amb6751002 [0,0,0,1,0,1|2,0,0]=4 2066 B11R1.178 NC(=O)C1CNCC1C(N)=O Amb28723640 [0,0,0,1,0,1|2,0,0]=4 2067 B11R1.178 NC(=O)C1OCCC1C(=O)O Amb35649185 [0,0,0,1,0,1|1,0,0]=3 2068 B11R1.178 NC(=O)N1CCCC1C(=O)Cl Amb27859012 [0,0,0,1,0,1|2,0,0]=4 2069 B11R1.178 NC(=O)N1CCCC1C(=O)O Amb9745667 [0,0,0,1,0,1|1,0,0]=3 2070 B11R1.178 NC(=O)N1CCC[C@@H]1C(=O)O Amb18787750 [0,0,0,1,0,1|1,0,0]=3 2071 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)Cl Amb25921470 [0,0,0,1,0,1|2,0,0]=4 2072 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Amb6893269 [0,0,0,1,0,1|1,0,0]=3 2073 B11R1.178 NC(=O)N1CSCC1C(=O)O Amb6263476 [0,0,0,1,0,1|2,0,0]=4 2074 B11R1.178 NC(=O)[C@@H]1CCCN1C(=O)Cl Amb28284714 [0,0,0,1,0,1|2,0,0]=4 2075 B11R1.178 NC(=O)[C@@H]1CCC[C@H]1C(N)=O Amb25218558 [0,0,0,1,0,1|2,0,0]=4 2076 B11R1.178 NC(=O)[C@H]1CCCN1C(N)=O Amb27649102 [0,0,0,1,0,1|2,0,0]=4 2077 B11R1.178 NC(=O)[C@H]1CCC[C@H]1C(=O)O Amb28142020 [0,0,0,1,0,1|1,0,0]=3 2078 B11R1.178 NC(=O)[C@H]1CNC[C@@H]1C(=O)O Amb28435442 [0,0,0,1,0,1|1,0,0]=3 2079 B11R1.178 O=C(O)C1=C(C(=O)Cl)CCC1 Amb25794193 [0,0,0,1,0,1|1,0,1]=4 2080 B11R1.178 O=C(O)C1=C(C(=O)O)CCC1 Amb4007521 [0,0,0,1,0,1|0,0,1]=3 2081 B11R1.178 O=C(O)C1=C(C(=O)O)CNC1 Amb27760780 [0,0,0,1,0,1|0,0,2]=4 2082 B11R1.178 O=C(O)C1=C(C(=O)O)COC1 Amb22356371 [0,0,0,1,0,1|0,0,2]=4 2083 B11R1.178 O=C(O)C1=C(C(=O)O)CSC1 Amb18647803 [0,0,0,1,0,1|0,0,2]=4 2084 B11R1.178 O=C(O)C1=NNCC1C(=O)O Amb28343196 [0,0,0,1,0,1|1,0,1]=4 2085 B11R1.178 O=C(O)C1C=CCC1C(=O)O Amb28365373 [0,0,0,1,0,1|0,0,1]=3 2086 B11R1.178 O=C(O)C1CCCC1C(=O)Cl Amb27876458 [0,0,0,1,0,1|1,0,0]=3 2087 B11R1.178 O=C(O)C1CCCC1C(=O)O Amb2732979 [0,0,0,1,0,1|0,0,0]=2 2088 B11R1.178 O=C(O)C1CCCC1[N+](=O)[O-] Amb27211214 [0,0,0,1,0,1|1,0,1]=4 2089 B11R1.178 O=C(O)C1CCCN1C(=O)O Amb24060622 [0,0,0,1,0,1|0,0,0]=2 2090 B11R1.178 O=C(O)C1CCNC1C(=O)O Amb22741053 [0,0,0,1,0,1|0,0,0]=2 2091 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb22495455 [0,0,0,1,0,1|0,0,0]=2 2092 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb32666021 [0,0,0,1,0,1|0,0,0]=2 2093 B11R1.178 O=C(O)C1CNCC1C(O)O Amb28281392 [0,0,0,1,0,1|0,0,2]=4 2094 B11R1.178 O=C(O)C1COCC1C(=O)O Amb23571987 [0,0,0,1,0,1|0,0,0]=2 2095 B11R1.178 O=C(O)C1SCSC1C(=O)O Amb27408556 [0,0,0,1,0,1|1,0,0]=3 2096 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)Cl Amb24407327 [0,0,0,1,0,1|1,0,0]=3 2097 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O Amb6299712 [0,0,0,1,0,1|0,0,0]=2 2098 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O Amb2695693 [0,0,0,1,0,1|0,0,0]=2 2099 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb25200351 [0,0,0,1,0,1|0,0,0]=2 2100 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb32664021 [0,0,0,1,0,1|0,0,0]=2 2101 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O Amb26847108 [0,0,0,1,0,1|0,0,0]=2 2102 B11R1.178 O=C(O)[C@@H]1CSC[C@H]1C(=O)O Amb28193749 [0,0,0,1,0,1|0,0,0]=2 2103 B11R1.178 O=C(O)[C@H]1CCCN1[N+](=O)[O-] Amb27214020 [0,0,0,1,0,1|1,0,1]=4 2104 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O Amb13890829 [0,0,0,1,0,1|0,0,0]=2 2105 B11R1.178 O=C(O)[C@H]1CCN[C@@H]1C(=O)O Amb27422064 [0,0,0,1,0,1|0,0,0]=2 2106 B11R1.178 O=C(O)[C@H]1CCN[C@H]1C(=O)O Amb27791852 [0,0,0,1,0,1|0,0,0]=2 2107 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb25945306 [0,0,0,1,0,1|0,0,0]=2 2108 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb28664288 [0,0,0,1,0,1|0,0,0]=2 2109 B11R1.234 O=C(O)CC1CCCS1(=O)=O Amb24703496 [0,0,0,1,0,1|1,0,1]=4 2110 B11R1.234 O=C(O)CN1CCCS1(=O)=O Amb6256056 [0,0,0,1,0,1|1,0,1]=4 2111 B11R1.497 CC(=O)C1=CC(=O)CCCC1 Amb27426734 [0,0,0,1,0,1|2,0,0]=4 2112 B11R1.497 CC(=O)C1CCCCC(=O)N1 Amb27873410 [0,0,0,1,0,1|2,0,0]=4 2113 B11R1.497 CC1=NC(C(=O)O)CCCN1 Amb25807925 [0,0,0,1,0,1|2,0,0]=4 2114 B11R1.497 CC1=NCCC[C@H](C(=O)O)N1 Amb27231815 [0,0,0,1,0,1|2,0,0]=4 2115 B11R1.497 CC1=N[C@H](C(=O)O)CCCN1 Amb25060168 [0,0,0,1,0,1|2,0,0]=4 2116 B11R1.497 NC(=O)C1CCCCC(=O)N1 Amb26852005 [0,0,0,1,0,1|2,0,0]=4 2117 B11R1.497 NC(=O)C1CCCNC(=O)C1 Amb27843738 [0,0,0,1,0,1|2,0,0]=4 2118 B11R1.497 NC(=O)C1CSCCC(=O)N1 Amb21943337 [0,0,0,1,0,1|2,0,0]=4 2119 B11R1.497 O=C1CCCCC(C(=O)O)C1 Amb10603800 [0,0,0,1,0,1|1,0,0]=3 2120 B11R1.497 O=C1CCCCC(C(=O)O)N1 Amb19515429 [0,0,0,1,0,1|1,0,0]=3 2121 B11R1.497 O=C1CCOCC(C(=O)O)C1 Amb27414004 [0,0,0,1,0,1|1,0,0]=3 2122 B11R1.497 O=C1CCOC[C@H](C(=O)O)N1 Amb27483038 [0,0,0,1,0,1|1,0,0]=3 2123 B11R1.497 O=C1CCSCC(C(=O)O)N1 Amb21937059 [0,0,0,1,0,1|1,0,0]=3 2124 B11R1.497 O=C1NCCCC(C(=O)O)N1 Amb27657613 [0,0,0,1,0,1|1,0,0]=3 2125 B11R1.497 O=C1NCCC[C@H](C(=O)O)N1 Amb27803711 [0,0,0,1,0,1|1,0,0]=3 2126 B11R1.708 CC(=O)C1CCC1CC(=O)O Amb25918239 [0,0,0,1,0,1|1,0,0]=3 2127 B11R1.708 CC(=O)CN1CCC1C(N)=O Amb33251315 [0,0,0,1,0,1|2,0,0]=4 2128 B11R1.708 CC(=O)OC1CCC1C(N)=O Amb27876221 [0,0,0,1,0,1|2,0,0]=4 2129 B11R1.708 CC(=O)SC1CCC1C(=O)O Amb27201581 [0,0,0,1,0,1|1,0,0]=3 2130 B11R1.708 NC(=O)C1CCN1CC(=O)O Amb33251341 [0,0,0,1,0,1|1,0,0]=3 2131 B11R1.708 NC(=O)CN1CCC1C(N)=O Amb33251164 [0,0,0,1,0,1|2,0,0]=4 2132 B11R1.708 NC(=O)NN1CCC1C(=O)O Amb28396601 [0,0,0,1,0,1|2,0,0]=4 2133 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,0,0,1,0,1|0,0,0]=2 2134 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,0,0,1,0,1|0,0,0]=2 2135 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,0,0,1,0,1|0,0,0]=2 2136 B11R1.708 O=C([O-])CC1C[NH2+]C1C(=O)[O-] Amb33513102 [0,0,0,1,0,1|0,0,2]=4 2137 B11R1.711 CC(=O)C1CC1CCC(=O)O Amb27990217 [0,0,0,1,0,1|1,0,0]=3 2138 B11R1.711 CC(=O)CCC1CC1C(=O)O Amb25384585 [0,0,0,1,0,1|1,0,0]=3 2139 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(=O)O Amb25384133 [0,0,0,1,0,1|1,0,0]=3 2140 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(=O)O Amb25383057 [0,0,0,1,0,1|1,0,0]=3 2141 B11R1.711 CC(=O)NCC1CC1C(=O)O Amb27872119 [0,0,0,1,0,1|1,0,0]=3 2142 B11R1.711 CC(=O)NC[C@@H]1C[C@@H]1C(=O)O Amb28244758 [0,0,0,1,0,1|1,0,0]=3 2143 B11R1.711 CC(=O)OC[C@@H]1C[C@H]1C(=O)O Amb26659372 [0,0,0,1,0,1|1,0,0]=3 2144 B11R1.740 O=C(O)CC1CC1CC(=O)O Amb4015364 [0,0,0,1,0,1|0,0,0]=2 2145 B11R1.705 CS(=O)(=O)CC1CC1C(=O)O Amb33056354 [0,1,0,1,0,0|1,0,1]=4 2146 B11R1.705 CS(=O)(=O)C[C@@H]1C[C@H]1C(=O)O Amb33056355 [0,1,0,1,0,0|1,0,1]=4 2147 B11R1.705 O=C(O)C1CC1CS(=O)(=O)Cl Amb27831066 [0,1,0,1,0,0|1,0,1]=4 2148 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 Amb1154428 [0,1,0,1,0,0|1,0,1]=4 2149 B11R1.710 O=C(O)CC1CCS(=O)(=O)N1 Amb24595350 [0,1,0,1,0,0|1,0,1]=4 2150 B11R1.710 O=C(O)CC1CCS(O)(O)C1 Amb27798771 [0,1,0,1,0,0|1,0,1]=4 2151 B11R1.730 CC1(C)CCCC(C(=O)O)O1 Amb26317586 [0,1,0,1,0,0|1,0,1]=4 2152 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 Amb15701364 [0,1,0,1,0,0|1,0,1]=4 2153 B11R1.730 O=C(O)[C@@H]1CCCS(=O)(=O)C1 Amb27607684 [0,1,0,1,0,0|1,0,1]=4 2154 B11R1.730 O=C(O)[C@H]1CCCS(=O)(=O)C1 Amb27945434 [0,1,0,1,0,0|1,0,1]=4 2155 B11R1.731 CP(C)(=O)C1CCC1C(=O)O Amb35748325 [0,1,0,1,0,0|2,0,0]=4 2156 B11R1.20 CC1CCC(CC(=O)O)CO1 Amb29866063 [0,1,0,1,0,0|1,0,1]=4 2157 B11R1.20 NC(=O)CC1CCC(=O)CC1 Amb28048062 [0,1,0,1,0,0|2,0,0]=4 2158 B11R1.20 NC(=O)CC1CNC(=O)CO1 Amb27638841 [0,1,0,1,0,0|2,0,0]=4 2159 B11R1.20 O=C(O)CC1=NNC(=O)CC1 Amb27946715 [0,1,0,1,0,0|1,0,1]=4 2160 B11R1.20 O=C(O)CC1C=CC(O)CC1 Amb27858906 [0,1,0,1,0,0|1,0,1]=4 2161 B11R1.20 O=C(O)CC1CCC(=O)CC1 Amb10607825 [0,1,0,1,0,0|1,0,0]=3 2162 B11R1.20 O=C(O)CC1CCC(=O)NC1 Amb18200019 [0,1,0,1,0,0|1,0,0]=3 2163 B11R1.20 O=C(O)CC1CCC(O)CC1 Amb18126157 [0,1,0,1,0,0|1,0,1]=4 2164 B11R1.20 O=C(O)CC1CNC(=O)CN1 Amb24655930 [0,1,0,1,0,0|2,0,0]=4 2165 B11R1.20 O=C(O)CN1CCC(=O)CC1 Amb21955570 [0,1,0,1,0,0|2,0,0]=4 2166 B11R1.20 O=C(O)CN1CCC(=O)CC1 Amb2721845 [0,1,0,1,0,0|2,0,0]=4 2167 B11R1.20 O=C(O)C[C@H]1CC[C@H](O)CN1 Amb27629758 [0,1,0,1,0,0|1,0,1]=4 2168 B11R1.20 O=C(O)C[C@H]1CNC(=O)CN1 Amb27473255 [0,1,0,1,0,0|2,0,0]=4 2169 B11R1.23 CCC(=O)C1CCCC(=O)C1 Amb27226521 [0,1,0,1,0,0|2,0,0]=4 2170 B11R1.23 CNC(=O)C1CCCC(=O)C1 Amb25351444 [0,1,0,1,0,0|2,0,0]=4 2171 B11R1.23 CNC(=O)C1CCCC(=O)N1 Amb27981911 [0,1,0,1,0,0|2,0,0]=4 2172 B11R1.23 COC(=O)C1=CC(=O)CCC1 Amb22284374 [0,1,0,1,0,0|1,0,1]=4 2173 B11R1.23 COC(=O)C1CC(=O)CCN1 Amb13889092 [0,1,0,1,0,0|2,0,0]=4 2174 B11R1.23 COC(=O)C1CC(=O)CCO1 Amb25309255 [0,1,0,1,0,0|2,0,0]=4 2175 B11R1.23 COC(=O)C1CCCC(=O)C1 Amb33543758 [0,1,0,1,0,0|1,0,0]=3 2176 B11R1.23 COC(=O)C1CCCC(=O)N1 Amb13886339 [0,1,0,1,0,0|1,0,0]=3 2177 B11R1.23 COC(=O)C1CCCC(N)=N1 Amb27803936 [0,1,0,1,0,0|2,0,0]=4 2178 B11R1.23 COC(=O)C1CCCC(O)C1 Amb19516181 [0,1,0,1,0,0|1,0,1]=4 2179 B11R1.23 COC(=O)C1CCNC(=O)C1 Amb21922898 [0,1,0,1,0,0|2,0,0]=4 2180 B11R1.23 COC(=O)C1CCNC(=O)N1 Amb27596662 [0,1,0,1,0,0|2,0,0]=4 2181 B11R1.23 COC(=O)C1CCOC(=O)N1 Amb25044321 [0,1,0,1,0,0|2,0,0]=4 2182 B11R1.23 COC(=O)C1CNCC(=O)N1 Amb18126111 [0,1,0,1,0,0|2,0,0]=4 2183 B11R1.23 COC(=O)C1COCC(=O)C1 Amb25086714 [0,1,0,1,0,0|2,0,0]=4 2184 B11R1.23 COC(=O)C1COCC(=O)N1 Amb24118077 [0,1,0,1,0,0|2,0,0]=4 2185 B11R1.23 COC(=O)N1CCCC(=O)C1 Amb22490336 [0,1,0,1,0,0|2,0,0]=4 2186 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 Amb13889085 [0,1,0,1,0,0|2,0,0]=4 2187 B11R1.23 COC(=O)[C@@H]1CC(=O)CCO1 Amb25794184 [0,1,0,1,0,0|2,0,0]=4 2188 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 Amb24486283 [0,1,0,1,0,0|1,0,0]=3 2189 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 Amb25375349 [0,1,0,1,0,0|1,0,0]=3 2190 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](O)C1 Amb22899456 [0,1,0,1,0,0|1,0,1]=4 2191 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 Amb27844007 [0,1,0,1,0,0|1,0,1]=4 2192 B11R1.23 COC(=O)[C@@H]1CCOC(=O)N1 Amb25785572 [0,1,0,1,0,0|2,0,0]=4 2193 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 Amb25759494 [0,1,0,1,0,0|2,0,0]=4 2194 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 Amb25084961 [0,1,0,1,0,0|1,0,0]=3 2195 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 Amb27862528 [0,1,0,1,0,0|1,0,0]=3 2196 B11R1.23 COC(=O)[C@H]1CCC[C@@H](O)C1 Amb25198846 [0,1,0,1,0,0|1,0,1]=4 2197 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 Amb25225913 [0,1,0,1,0,0|1,0,1]=4 2198 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 Amb26632942 [0,1,0,1,0,0|2,0,0]=4 2199 B11R1.23 COC(=O)[C@H]1CSCC(=O)N1 Amb27879944 [0,1,0,1,0,0|2,0,0]=4 2200 B11R1.23 NNC(=O)C1CCCC(=O)N1 Amb27390167 [0,1,0,1,0,0|2,0,0]=4 2201 B11R1.23 O=C1CCCC(C(O)CO)O1 Amb28400995 [0,1,0,1,0,0|0,0,2]=4 2202 B11R1.23 O=C1CCC[C@H]([C@@H](O)CO)O1 Amb27213817 [0,1,0,1,0,0|0,0,2]=4 2203 B11R1.39 C=C(CO)CC1CCC(=O)C1 Amb28253855 [0,1,0,1,0,0|2,0,0]=4 2204 B11R1.39 COC(=N)CC1CNC(=O)O1 Amb27768558 [0,1,0,1,0,0|2,0,0]=4 2205 B11R1.39 COC(=O)CC1CCC(=O)C1 Amb21962984 [0,1,0,1,0,0|1,0,0]=3 2206 B11R1.39 COC(=O)CC1CCC(O)C1 Amb26009531 [0,1,0,1,0,0|1,0,1]=4 2207 B11R1.39 COC(=O)CC1CCC(O)O1 Amb27652891 [0,1,0,1,0,0|0,0,2]=4 2208 B11R1.39 COC(=O)CC1CNC(=O)C1 Amb23453157 [0,1,0,1,0,0|2,0,0]=4 2209 B11R1.39 COC(=O)CC1COC(=O)N1 Amb27184103 [0,1,0,1,0,0|2,0,0]=4 2210 B11R1.39 COC(=O)C[C@@H]1CCC(=O)C1 Amb25922870 [0,1,0,1,0,0|1,0,0]=3 2211 B11R1.39 COC(=O)C[C@@H]1CC[C@@H](O)C1 Amb26957023 [0,1,0,1,0,0|1,0,1]=4 2212 B11R1.39 COC(=O)C[C@@H]1CC[C@H](O)C1 Amb25054455 [0,1,0,1,0,0|1,0,1]=4 2213 B11R1.39 COC(=O)C[C@@H]1CNC(=O)N1 Amb28046451 [0,1,0,1,0,0|2,0,0]=4 2214 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 Amb26494429 [0,1,0,1,0,0|1,0,0]=3 2215 B11R1.39 O=C(CC1COC(=O)C1)NO Amb28043753 [0,1,0,1,0,0|2,0,0]=4 2216 B11R1.43 CCC1CCC(CC(=O)O)O1 Amb33100554 [0,1,0,1,0,0|1,0,1]=4 2217 B11R1.43 NCC1CCC(CC(=O)O)O1 Amb18199868 [0,1,0,1,0,0|1,0,1]=4 2218 B11R1.43 NC[C@@H]1CC[C@H](CC(=O)O)O1 Amb27202548 [0,1,0,1,0,0|1,0,1]=4 2219 B11R1.43 O=C(O)CC1CCC(CF)O1 Amb33070988 [0,1,0,1,0,0|1,0,1]=4 2220 B11R1.43 O=C(O)CC1CC\C(=N/O)C1 Amb32415691 [0,1,0,1,0,0|1,0,0]=3 2221 B11R1.43 O=CC1CCC(CC(=O)O)O1 Amb27238572 [0,1,0,1,0,0|0,0,1]=3 2222 B11R1.43 O=C[C@H]1CC[C@@H](CC(=O)O)O1 Amb27476761 [0,1,0,1,0,0|0,0,1]=3 2223 B11R1.147 NC(=O)CCC1CC(=O)N1O Amb27173151 [0,1,0,1,0,0|1,0,0]=3 2224 B11R1.147 O=C(O)CCC1CC(=O)N1O Amb27176442 [0,1,0,1,0,0|0,0,0]=2 2225 B11R1.147 O=C(O)CC[C@@H]1CC(=O)N1O Amb28385712 [0,1,0,1,0,0|0,0,0]=2 2226 B11R1.159 CC(=O)C1CCCC(=O)C1=O Amb25876590 [0,1,0,1,0,0|1,0,1]=4 2227 B11R1.159 CC(=O)[C@H]1CCCC(=O)[C@@H]1C Amb28194631 [0,1,0,1,0,0|2,0,0]=4 2228 B11R1.159 CC1=C(C(=O)O)CCCC1=O Amb18125678 [0,1,0,1,0,0|1,0,1]=4 2229 B11R1.159 CC1C(=O)CCCC1C(N)=O Amb25231274 [0,1,0,1,0,0|2,0,0]=4 2230 B11R1.159 CN1C(=O)CCCC1C(=O)O Amb18830654 [0,1,0,1,0,0|1,0,0]=3 2231 B11R1.159 CN1C(=O)COCC1C(=O)O Amb27969427 [0,1,0,1,0,0|2,0,0]=4 2232 B11R1.159 CN1CCCC(C(=O)O)C1=O Amb23571786 [0,1,0,1,0,0|2,0,0]=4 2233 B11R1.159 C[C@@H]1C(=O)CCC[C@H]1C(N)=O Amb28321944 [0,1,0,1,0,0|2,0,0]=4 2234 B11R1.159 C[C@H]1[C@@H](O)CCC[C@H]1C(=O)O Amb28051870 [0,1,0,1,0,0|1,0,1]=4 2235 B11R1.159 NC1CCCC(C(=O)O)C1O Amb27237633 [0,1,0,1,0,0|1,0,1]=4 2236 B11R1.159 N[C@H]1CCC[C@H](C(=O)O)[C@@H]1O Amb24557744 [0,1,0,1,0,0|1,0,1]=4 2237 B11R1.159 N[C@H]1[C@@H](C(=O)O)CCC[C@H]1O Amb27640678 [0,1,0,1,0,0|1,0,1]=4 2238 B11R1.159 O=C(O)C1=C(O)C(=O)NCC1 Amb18830671 [0,1,0,1,0,0|1,0,1]=4 2239 B11R1.159 O=C(O)C1CCCC(Br)C1=O Amb32409892 [0,1,0,1,0,0|1,0,1]=4 2240 B11R1.159 O=C1NCCC(C(=O)O)C1O Amb25145722 [0,1,0,1,0,0|1,0,0]=3 2241 B11R1.224 COC(=O)CCC1CC(=O)C1 Amb27672904 [0,1,0,1,0,0|1,0,0]=3 2242 B11R1.227 COC(=O)C1CCCS1(=O)=O Amb35723019 [0,1,0,1,0,0|1,0,1]=4 2243 B11R1.227 O=C(NO)C1CCCS1(=O)=O Amb30008784 [0,1,0,1,0,0|1,0,1]=4 2244 B11R1.262 COC1CC(CCC(=O)O)C1 Amb33802500 [0,1,0,1,0,0|1,0,1]=4 2245 B11R1.266 CC[C@@H]1CCC[C@H](C(=O)O)O1 Amb27233410 [0,1,0,1,0,0|1,0,1]=4 2246 B11R1.266 COC1=CCCC(C(=O)O)C1 Amb28244804 [0,1,0,1,0,0|1,0,1]=4 2247 B11R1.266 COC1=NCCC(C(=O)O)C1 Amb32668294 [0,1,0,1,0,0|2,0,0]=4 2248 B11R1.266 COC1CCCC(C(=O)O)C1 Amb3939936 [0,1,0,1,0,0|1,0,1]=4 2249 B11R1.266 COC1CCCC(C(=O)O)O1 Amb27483979 [0,1,0,1,0,0|0,0,2]=4 2250 B11R1.266 CO[C@H]1CCC[C@@H](C(=O)O)C1 Amb28411305 [0,1,0,1,0,0|1,0,1]=4 2251 B11R1.266 O=C(O)C1CCCC(CO)C1 Amb24488127 [0,1,0,1,0,0|1,0,1]=4 2252 B11R1.266 O=C(O)C1CCC\C(=N/O)C1 Amb23453123 [0,1,0,1,0,0|1,0,0]=3 2253 B11R1.266 O=C(O)[C@H]1CCC[C@@H](CO)N1 Amb25348501 [0,1,0,1,0,0|1,0,1]=4 2254 B11R1.266 O=NN1CCCC(C(=O)O)C1 Amb17618600 [0,1,0,1,0,0|2,0,0]=4 2255 B11R1.313 C=C1C(=O)CCC1CC(=O)O Amb25700924 [0,1,0,1,0,0|1,0,0]=3 2256 B11R1.313 C=C1CCN(CC(=O)O)C1=O Amb18125827 [0,1,0,1,0,0|2,0,0]=4 2257 B11R1.313 CC(=O)C[C@@H]1CCC(=O)[C@H]1C Amb26024208 [0,1,0,1,0,0|2,0,0]=4 2258 B11R1.313 CC(=O)C[C@H]1CCC(=O)[C@H]1C Amb27212451 [0,1,0,1,0,0|2,0,0]=4 2259 B11R1.313 CC1=C(CC(=O)O)CCC1=O Amb27791857 [0,1,0,1,0,0|1,0,1]=4 2260 B11R1.313 CC1C(=O)CCC1CC(=O)O Amb18125960 [0,1,0,1,0,0|1,0,0]=3 2261 B11R1.313 CN1C(=O)CCC1CC(=O)O Amb6316139 [0,1,0,1,0,0|1,0,0]=3 2262 B11R1.313 CN1C(=O)CC[C@@H]1CC(=O)O Amb27658937 [0,1,0,1,0,0|1,0,0]=3 2263 B11R1.313 CN1CCC(CC(=O)O)C1=O Amb21964978 [0,1,0,1,0,0|2,0,0]=4 2264 B11R1.313 C[C@@H]1C(=O)CC[C@H]1CC(=O)O Amb28385685 [0,1,0,1,0,0|1,0,0]=3 2265 B11R1.313 O=C(O)CN1CCC(O)C1=O Amb28458470 [0,1,0,1,0,0|1,0,1]=4 2266 B11R1.565 NC(=O)C1CCCC(=O)NC1 Amb27963105 [0,1,0,1,0,0|2,0,0]=4 2267 B11R1.565 O=C1CCC(C(=O)O)CCN1 Amb24488196 [0,1,0,1,0,0|2,0,0]=4 2268 B11R1.565 O=C1CCC(C(=O)O)CCO1 Amb22001721 [0,1,0,1,0,0|2,0,0]=4 2269 B11R1.565 O=C1CCCC(C(=O)O)CC1 Amb23399610 [0,1,0,1,0,0|1,0,0]=3 2270 B11R1.565 O=C1CCSC(C(=O)O)CN1 Amb27441231 [0,1,0,1,0,0|2,0,0]=4 2271 B11R1.849 COC(=O)C1CC1CC(=O)O Amb26081648 [0,1,0,1,0,0|0,0,0]=2 2272 B11R1.849 COC(=O)C1CC1NC(C)=O Amb27782147 [0,1,0,1,0,0|2,0,0]=4 2273 B11R1.849 COC(=O)[C@@H]1C[C@@H]1CS(=O)Cl Amb32721008 [0,1,0,1,0,0|2,0,0]=4 2274 B11R1.849 COC(=O)[C@@H]1C[C@@H]1CS(N)=O Amb32721009 [0,1,0,1,0,0|2,0,0]=4 2275 B11R1.849 COC(=O)[C@@H]1C[C@@H]1OC(C)=O Amb25383234 [0,1,0,1,0,0|2,0,0]=4 2276 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O Amb26660739 [0,1,0,1,0,0|0,0,0]=2 2277 B11R1.870 C#CC(=O)N1CCC1C(=O)O Amb27771057 [0,1,0,1,0,0|2,0,0]=4 2278 B11R1.870 C=C(C)C1CCC1C(=O)OC Amb25366544 [0,1,0,1,0,0|2,0,0]=4 2279 B11R1.870 C=CC(=O)N1CCC1C(=O)O Amb27442509 [0,1,0,1,0,0|2,0,0]=4 2280 B11R1.870 CNC(=O)C1CCC1C(=O)O Amb27447635 [0,1,0,1,0,0|1,0,0]=3 2281 B11R1.870 COC(=O)C1C=C[C@@H]1C(=O)O Amb27273537 [0,1,0,1,0,0|0,0,2]=4 2282 B11R1.870 COC(=O)C1CCC1C(=O)O Amb25844392 [0,1,0,1,0,0|0,0,0]=2 2283 B11R1.870 COC(=O)C1CCN1C(=O)Cl Amb25351297 [0,1,0,1,0,0|2,0,0]=4 2284 B11R1.870 COC(=O)N1CCC1C(=O)O Amb25690182 [0,1,0,1,0,0|1,0,0]=3 2285 B11R1.870 COC(=O)N1CCC1C(N)=O Amb33251997 [0,1,0,1,0,0|2,0,0]=4 2286 B11R1.870 COC(=O)N1CC[C@H]1C(=O)O Amb26481329 [0,1,0,1,0,0|1,0,0]=3 2287 B11R1.870 COC(=O)[C@@H]1C=C[C@@H]1C(=O)O Amb28437093 [0,1,0,1,0,0|0,0,2]=4 2288 B11R1.870 COC(=O)[C@@H]1C=C[C@H]1C(=O)O Amb25911999 [0,1,0,1,0,0|0,0,2]=4 2289 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb23439085 [0,1,0,1,0,0|0,0,0]=2 2290 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1S(=O)Cl Amb32720832 [0,1,0,1,0,0|2,0,0]=4 2291 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1S(=O)[O-] Amb32755610 [0,1,0,1,0,0|1,0,1]=4 2292 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1S(N)=O Amb32720833 [0,1,0,1,0,0|2,0,0]=4 2293 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O Amb26948041 [0,1,0,1,0,0|0,0,0]=2 2294 B11R1.870 COC(=O)[C@H]1C=C[C@@H]1C(=O)O Amb27645479 [0,1,0,1,0,0|0,0,2]=4 2295 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28247482 [0,1,0,1,0,0|0,0,0]=2 2296 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O Amb28138440 [0,1,0,1,0,0|0,0,0]=2 2297 B11R1.870 CON(C)C1CCC1C(=O)O Amb35673335 [0,1,0,1,0,0|2,0,0]=4 2298 B11R1.870 O=C(O)C1CCN1C(=O)CCl Amb28240357 [0,1,0,1,0,0|2,0,0]=4 2299 B11R1.870 O=C(O)[C@@H]1CCN1C(=O)CCl Amb26888776 [0,1,0,1,0,0|2,0,0]=4 2300 B11R1.870 O=C(O)[C@@H]1CCN1C(=O)CS Amb27632740 [0,1,0,1,0,0|1,1,0]=4 2301 B11R1.892 COC(=O)C[C@@H]1C[C@H]1C(C)=O Amb28080099 [0,1,0,1,0,0|1,0,0]=3 2302 B11R1.892 COC(=O)C[C@H]1C[C@H]1C(C)=O Amb28080101 [0,1,0,1,0,0|1,0,0]=3 2303 B11R1.74 CC(=O)C1CC(=O)CC(C)C1 Amb25937018 [0,1,0,1,0,0|2,0,0]=4 2304 B11R1.74 CC1=CC(C(=O)O)CC(C)C1 Amb26585310 [0,1,0,1,0,0|2,0,0]=4 2305 B11R1.74 CC1CC(=O)CC(C(=O)O)N1 Amb18200027 [0,1,0,1,0,0|2,0,0]=4 2306 B11R1.74 CC1CC(=O)NC(C(=O)O)C1 Amb26352891 [0,1,0,1,0,0|1,0,0]=3 2307 B11R1.74 CC1CC(C(=O)O)CC(=O)N1 Amb27628365 [0,1,0,1,0,0|2,0,0]=4 2308 B11R1.74 CC1CC(C)OC(C(=O)O)C1 Amb18830486 [0,1,0,1,0,0|1,0,1]=4 2309 B11R1.74 CC1C[C@@H](O)C[C@H](C(=O)O)C1 Amb28195097 [0,1,0,1,0,0|1,0,1]=4 2310 B11R1.74 C[C@@H]1CC(=O)N[C@H](C(=O)O)C1 Amb28134065 [0,1,0,1,0,0|1,0,0]=3 2311 B11R1.74 C[C@@H]1CC(=O)N[C@H](C(N)=O)C1 Amb27854487 [0,1,0,1,0,0|2,0,0]=4 2312 B11R1.74 C[C@@H]1C[C@H](O)C[C@H](C(=O)O)C1 Amb28384451 [0,1,0,1,0,0|1,0,1]=4 2313 B11R1.74 C[C@H]1CC(=O)N[C@@H](C(=O)O)C1 Amb28284476 [0,1,0,1,0,0|1,0,0]=3 2314 B11R1.74 C[C@H]1C[C@H](O)C[C@H](C(=O)O)C1 Amb28051869 [0,1,0,1,0,0|1,0,1]=4 2315 B11R1.74 NC1CC(=O)NC(C(=O)O)C1 Amb18199921 [0,1,0,1,0,0|1,0,0]=3 2316 B11R1.74 NC1CC(C(=O)O)CC(=O)N1 Amb28129104 [0,1,0,1,0,0|2,0,0]=4 2317 B11R1.74 NC1CC(O)CC(C(=O)O)C1 Amb28285635 [0,1,0,1,0,0|1,0,1]=4 2318 B11R1.74 N[C@@H]1C[C@H](O)C[C@H](C(=O)O)C1 Amb27650583 [0,1,0,1,0,0|1,0,1]=4 2319 B11R1.74 O=C(O)C1CC(O)CC(O)C1 Amb26351388 [0,1,0,1,0,0|1,0,1]=4 2320 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 Amb10069927 [0,1,0,1,0,0|1,0,1]=4 2321 B11R1.74 O=C1CC(=O)NC(C(=O)O)C1 Amb18200050 [0,1,0,1,0,0|1,0,1]=4 2322 B11R1.74 O=C1CC(=O)N[C@H](C(=O)O)C1 Amb27985272 [0,1,0,1,0,0|1,0,1]=4 2323 B11R1.74 O=C1CC(=O)OC(C(=O)O)C1 Amb26849736 [0,1,0,1,0,0|0,0,1]=3 2324 B11R1.74 O=C1CC(C(=O)O)CC(O)N1 Amb27234573 [0,1,0,1,0,0|2,0,0]=4 2325 B11R1.74 O=C1CC(O)CC(C(=O)O)N1 Amb28077591 [0,1,0,1,0,0|1,0,0]=3 2326 B11R1.74 O=C1CS(=O)CC(C(=O)O)N1 Amb27444598 [0,1,0,1,0,0|2,0,0]=4 2327 B11R1.108 CC1CC(C(=O)O)C1C(=O)O Amb26595927 [0,1,0,1,0,0|0,0,0]=2 2328 B11R1.108 O=C(O)C1CC(=O)C1C(=O)O Amb34149611 [0,1,0,1,0,0|0,0,1]=3 2329 B11R1.108 O=C(O)[C@H]1CC(=O)[C@@H]1C(=O)O Amb34913067 [0,1,0,1,0,0|0,0,1]=3 2330 B11R1.108 O=C(O)[C@H]1CC(=O)[C@H]1C(=O)O Amb34912796 [0,1,0,1,0,0|0,0,1]=3 2331 B11R1.167 C=C1CCC(C)C(C(=O)O)C1 Amb28119008 [0,1,0,1,0,0|2,0,0]=4 2332 B11R1.167 CC(=O)C1CC(=O)CCC1C Amb27199692 [0,1,0,1,0,0|2,0,0]=4 2333 B11R1.167 CC(=O)[C@@H]1CC(=O)CC[C@H]1C Amb27768027 [0,1,0,1,0,0|2,0,0]=4 2334 B11R1.167 CC1CCC(=O)CC1C(=O)O Amb32867785 [0,1,0,1,0,0|1,0,0]=3 2335 B11R1.167 CC1CCC(=O)CC1C(N)=O Amb32865390 [0,1,0,1,0,0|2,0,0]=4 2336 B11R1.167 CC1CCC(O)CC1C(=O)O Amb24392245 [0,1,0,1,0,0|1,0,1]=4 2337 B11R1.167 CC1CC[C@H](O)C[C@H]1C(=O)O Amb28195098 [0,1,0,1,0,0|1,0,1]=4 2338 B11R1.167 CC1CNC(=O)CC1C(=O)O Amb33099388 [0,1,0,1,0,0|2,0,0]=4 2339 B11R1.167 CN1CCC(=O)CC1C(=O)O Amb18200028 [0,1,0,1,0,0|2,0,0]=4 2340 B11R1.167 C[C@H](O)[C@H]1OC(=O)CC[C@H]1C Amb28065218 [0,1,0,1,0,0|1,0,1]=4 2341 B11R1.167 C[C@H]1OCC(=O)N[C@@H]1C(=O)O Amb27453688 [0,1,0,1,0,0|2,0,0]=4 2342 B11R1.167 NC(=O)C1NC(=O)CCC1O Amb27209797 [0,1,0,1,0,0|2,0,0]=4 2343 B11R1.167 NC1CCC(O)CC1C(=O)O Amb25139597 [0,1,0,1,0,0|1,0,1]=4 2344 B11R1.167 N[C@@H]1CC[C@@H](O)C[C@H]1C(=O)O Amb27231807 [0,1,0,1,0,0|1,0,1]=4 2345 B11R1.167 N[C@@H]1CC[C@H](O)C[C@@H]1C(=O)O Amb27444612 [0,1,0,1,0,0|1,0,1]=4 2346 B11R1.167 N[C@@H]1CC[C@H](O)C[C@H]1C(=O)O Amb27878771 [0,1,0,1,0,0|1,0,1]=4 2347 B11R1.167 N[C@H]1CC[C@@H](O)C[C@H]1C(=O)O Amb28193740 [0,1,0,1,0,0|1,0,1]=4 2348 B11R1.167 O=C(O)C1CC(O)CCC1O Amb25809422 [0,1,0,1,0,0|1,0,1]=4 2349 B11R1.167 O=C1CC[C@H](O)[C@H](C(=O)O)N1 Amb25174915 [0,1,0,1,0,0|1,0,0]=3 2350 B11R1.518 C=C(C)CC1C(C)C1C(=O)O Amb27845512 [0,1,0,1,0,0|2,0,0]=4 2351 B11R1.518 C=C(C)C[C@H]1C(C)[C@@H]1C(=O)O Amb27880588 [0,1,0,1,0,0|2,0,0]=4 2352 B11R1.645 CC(O)CC1OC(=O)CC1O Amb27768411 [0,1,0,1,0,0|1,0,1]=4 2353 B11R1.645 CC1=CC(=O)OC1CC(=O)O Amb18125925 [0,1,0,1,0,0|0,0,2]=4 2354 B11R1.645 CC1CC(=O)OC1CC(=O)O Amb28458582 [0,1,0,1,0,0|0,0,0]=2 2355 B11R1.645 C[C@@H]1NC(=O)C[C@H]1CC(=O)O Amb18830651 [0,1,0,1,0,0|2,0,0]=4 2356 B11R1.645 O=C(O)CC1OC(=O)C=C1Br Amb17596018 [0,1,0,1,0,0|0,0,2]=4 2357 B11R1.645 O=C(O)CC1OC(=O)C=C1O Amb27657626 [0,1,0,1,0,0|0,0,2]=4 2358 B11R1.743 CC(=O)C1CC(CC(=O)O)C1 Amb25202475 [0,1,0,1,0,0|1,0,0]=3 2359 B11R1.743 CC(=O)NC1CC(C(=O)O)C1 Amb23441142 [0,1,0,1,0,0|2,0,0]=4 2360 B11R1.743 CC(=O)N[C@H]1C[C@@H](C(=O)O)C1 Amb29887511 [0,1,0,1,0,0|2,0,0]=4 2361 B11R1.743 CC(=O)N[C@H]1C[C@H](C(=O)O)C1 Amb35585911 [0,1,0,1,0,0|2,0,0]=4 2362 B11R1.743 NC(=O)NC1CC(C(=O)O)C1 Amb35659136 [0,1,0,1,0,0|2,0,0]=4 2363 B11R1.743 NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 Amb29887629 [0,1,0,1,0,0|2,0,0]=4 2364 B11R1.743 NC(=O)N[C@H]1C[C@H](C(=O)O)C1 Amb35645356 [0,1,0,1,0,0|2,0,0]=4 2365 B11R1.1039 C=C(Br)CC1(C)CCC(=O)O1 Amb28133820 [0,1,0,1,0,0|2,0,0]=4 2366 B11R1.1039 NC1(CC(=O)O)CNC(=O)C1 Amb27634133 [0,1,0,1,0,0|2,0,0]=4 2367 B11R1.1039 O=C(O)CC1(O)C=CC(=O)O1 Amb28118906 [0,1,0,1,0,0|0,0,2]=4 2368 B11R1.1039 O=C(O)CC1(O)CCC(=O)O1 Amb27823336 [0,1,0,1,0,0|0,0,0]=2 2369 B11R1.1040 C[C@H]1CC[P@@](C)(=O)[C@H]1C(=O)O Amb27210541 [0,1,0,1,0,0|2,0,0]=4 2370 B11R1.21 CC(=O)[C@H]1CC[C@H](C)C(=O)C1 Amb27447292 [0,1,0,1,0,0|2,0,0]=4 2371 B11R1.21 CC1=CC(C(=O)O)CCC1Cl Amb18647872 [0,1,0,1,0,0|2,0,0]=4 2372 B11R1.21 CC1=C[C@H](C(=O)O)CC[C@@H]1Cl Amb27444963 [0,1,0,1,0,0|2,0,0]=4 2373 B11R1.21 CC1SCC(C(=O)O)NC1=O Amb23590306 [0,1,0,1,0,0|2,0,0]=4 2374 B11R1.21 CN1CCC(C(=O)O)CC1=O Amb6892357 [0,1,0,1,0,0|2,0,0]=4 2375 B11R1.21 NC(=O)C1CCC(N)C(=O)N1 Amb24707747 [0,1,0,1,0,0|2,0,0]=4 2376 B11R1.21 O=C(O)C1=CC(=O)[C@@H](O)CC1 Amb25870177 [0,1,0,1,0,0|1,0,1]=4 2377 B11R1.21 O=C(O)[C@@H]1CC[C@@H](O)[C@H](O)C1 Amb28320743 [0,1,0,1,0,0|1,0,1]=4 2378 B11R1.21 O=C(O)[C@@H]1CC[C@H](O)[C@@H](O)C1 Amb28245268 [0,1,0,1,0,0|1,0,1]=4 2379 B11R1.21 O=C1CC(C(=O)O)CCC1O Amb27176349 [0,1,0,1,0,0|1,0,0]=3 2380 B11R1.21 O=C1CC(C(=O)O)OCC1O Amb24390226 [0,1,0,1,0,0|2,0,0]=4 2381 B11R1.80 CN1CC(CC(=O)O)CC1=O Amb8009856 [0,1,0,1,0,0|2,0,0]=4 2382 B11R1.80 CN1CC(CC(=O)O)OC1=O Amb18830410 [0,1,0,1,0,0|1,0,0]=3 2383 B11R1.80 O=C(O)CC1C=C(Cl)C(=O)O1 Amb27233573 [0,1,0,1,0,0|0,0,2]=4 2384 B11R1.80 O=C(O)CC1CC(=O)C(=O)C1 Amb9782770 [0,1,0,1,0,0|1,0,1]=4 2385 B11R1.80 O=C(O)C[C@@H]1C=C(F)C(=O)O1 Amb25724279 [0,1,0,1,0,0|0,0,2]=4 2386 B11R1.175 CC(=O)C1CCC(C(=O)O)C1 Amb24373216 [0,1,0,1,0,0|1,0,0]=3 2387 B11R1.175 CC(=O)C1NC(C(=O)O)CS1 Amb27408644 [0,1,0,1,0,0|2,0,0]=4 2388 B11R1.175 CC(=O)N1CCC(C(=O)O)C1 Amb18949041 [0,1,0,1,0,0|2,0,0]=4 2389 B11R1.175 CC(=O)[C@@H]1CC[C@H](C(=O)O)C1 Amb28052085 [0,1,0,1,0,0|1,0,0]=3 2390 B11R1.175 CC(=O)[C@@H]1C[C@@H](C(=O)O)CO1 Amb27424004 [0,1,0,1,0,0|2,0,0]=4 2391 B11R1.175 CC(=O)[C@H]1CC[C@H](C(=O)O)C1 Amb28052084 [0,1,0,1,0,0|1,0,0]=3 2392 B11R1.175 CC(=O)[C@H]1C[C@@H](C(=O)O)CO1 Amb27221215 [0,1,0,1,0,0|2,0,0]=4 2393 B11R1.175 NC(=O)C1CCC(C(=O)O)C1 Amb18126050 [0,1,0,1,0,0|1,0,0]=3 2394 B11R1.175 NC(=O)C1CCC(C(=O)O)N1 Amb27397702 [0,1,0,1,0,0|1,0,0]=3 2395 B11R1.175 NC(=O)C1CCC(C(=O)O)O1 Amb25111716 [0,1,0,1,0,0|1,0,0]=3 2396 B11R1.175 NC(=O)C1CCC(C(N)=O)C1 Amb22902724 [0,1,0,1,0,0|2,0,0]=4 2397 B11R1.175 NC(=O)C1CCC(C(N)=O)S1 Amb5718735 [0,1,0,1,0,0|2,0,0]=4 2398 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb23560427 [0,1,0,1,0,0|1,0,0]=3 2399 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560425 [0,1,0,1,0,0|1,0,0]=3 2400 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(N)=O)N1 Amb27863644 [0,1,0,1,0,0|2,0,0]=4 2401 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)C1 Amb25983681 [0,1,0,1,0,0|1,0,0]=3 2402 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)N1 Amb23560440 [0,1,0,1,0,0|1,0,0]=3 2403 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)O1 Amb24384443 [0,1,0,1,0,0|1,0,0]=3 2404 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560409 [0,1,0,1,0,0|1,0,0]=3 2405 B11R1.175 O=C(O)C1C=CC(C(=O)O)C1 Amb27192014 [0,1,0,1,0,0|0,0,2]=4 2406 B11R1.175 O=C(O)C1CCC(C(=O)Cl)C1 Amb28074649 [0,1,0,1,0,0|1,0,0]=3 2407 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 Amb2221143 [0,1,0,1,0,0|0,0,0]=2 2408 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 Amb18126226 [0,1,0,1,0,0|0,0,0]=2 2409 B11R1.175 O=C(O)C1CCC(C(=O)O)[Se]1 Amb2793472 [0,1,0,1,0,0|0,0,0]=2 2410 B11R1.175 O=C(O)C1CNC(C(=O)O)C1 Amb2695727 [0,1,0,1,0,0|1,0,0]=3 2411 B11R1.175 O=C(O)C1COC(C(=O)O)C1 Amb23454154 [0,1,0,1,0,0|1,0,0]=3 2412 B11R1.175 O=C(O)C1CSC(C(=O)O)C1 Amb18647960 [0,1,0,1,0,0|1,0,0]=3 2413 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 Amb16203736 [0,1,0,1,0,0|1,0,0]=3 2414 B11R1.175 O=C(O)[C@@H]1C=C[C@H](C(=O)O)C1 Amb27491019 [0,1,0,1,0,0|0,0,2]=4 2415 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)C1 Amb27455546 [0,1,0,1,0,0|0,0,0]=2 2416 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb25174831 [0,1,0,1,0,0|0,0,0]=2 2417 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)O1 Amb27966839 [0,1,0,1,0,0|0,0,0]=2 2418 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560341 [0,1,0,1,0,0|0,0,0]=2 2419 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 Amb17620468 [0,1,0,1,0,0|0,0,0]=2 2420 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560340 [0,1,0,1,0,0|0,0,0]=2 2421 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C(=O)O)C1 Amb24559908 [0,1,0,1,0,0|1,0,0]=3 2422 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 Amb22262950 [0,1,0,1,0,0|1,0,0]=3 2423 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 Amb19930523 [0,1,0,1,0,0|1,0,0]=3 2424 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)SS1 Amb27817898 [0,1,0,1,0,0|2,0,0]=4 2425 B11R1.175 O=C(O)[C@H]1C=C[C@H](C(=O)O)O1 Amb27650630 [0,1,0,1,0,0|0,0,2]=4 2426 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 Amb6299713 [0,1,0,1,0,0|0,0,0]=2 2427 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 Amb22744933 [0,1,0,1,0,0|0,0,0]=2 2428 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 Amb27195626 [0,1,0,1,0,0|0,0,0]=2 2429 B11R1.175 O=C(O)[C@H]1CN[C@@H](C(=O)O)C1 Amb26528102 [0,1,0,1,0,0|1,0,0]=3 2430 B11R1.175 O=C(O)[C@H]1C[C@H](C(=O)O)SS1 Amb27657788 [0,1,0,1,0,0|2,0,0]=4 2431 B11R1.314 C=C(C)[C@H](O)[C@@H]1CCC(=O)O1 Amb28350315 [0,1,0,1,0,0|2,0,0]=4 2432 B11R1.314 CC(C(=O)O)C1CCC(=O)C1 Amb27596870 [0,1,0,1,0,0|1,0,0]=3 2433 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Amb24741902 [0,1,0,1,0,0|1,0,0]=3 2434 B11R1.314 CC(C(=O)O)C1CC[C@@H](C)O1 Amb33423414 [0,1,0,1,0,0|1,0,1]=4 2435 B11R1.314 CC1CCC(C(O)C(=O)O)O1 Amb27485267 [0,1,0,1,0,0|1,0,1]=4 2436 B11R1.314 C[C@@H](O)[C@@H](O)[C@H]1CCC(=O)O1 Amb27457759 [0,1,0,1,0,0|1,0,1]=4 2437 B11R1.314 C[C@@H]1CCC(C(N)C(=O)O)O1 Amb33423685 [0,1,0,1,0,0|1,0,1]=4 2438 B11R1.314 C[C@@H]1CCC(C(O)C(=O)O)O1 Amb33423394 [0,1,0,1,0,0|1,0,1]=4 2439 B11R1.314 C[C@@H]1CC[C@H]([C@H](N)C(=O)O)O1 Amb28457487 [0,1,0,1,0,0|1,0,1]=4 2440 B11R1.314 C[C@H]1CC[C@@H]([C@H](C)C(=O)O)O1 Amb27477593 [0,1,0,1,0,0|1,0,1]=4 2441 B11R1.314 NC(=O)C(N)C1CCC(=O)C1 Amb27159565 [0,1,0,1,0,0|2,0,0]=4 2442 B11R1.314 NC(C(=O)O)C1CCC(=O)C1 Amb27828292 [0,1,0,1,0,0|1,0,0]=3 2443 B11R1.314 NC(C(=O)O)C1CCC(=O)O1 Amb27955898 [0,1,0,1,0,0|0,0,0]=2 2444 B11R1.314 N[C@@H](C(=O)O)C1CCC(=O)C1 Amb25148224 [0,1,0,1,0,0|1,0,0]=3 2445 B11R1.314 N[C@H](C(=O)O)C1CCC(=O)C1 Amb26955070 [0,1,0,1,0,0|1,0,0]=3 2446 B11R1.314 O=C1CCC(C(O)C(=O)O)N1 Amb28121038 [0,1,0,1,0,0|1,0,0]=3 2447 B11R1.314 O=C1OC[C@H]([C@@H](O)C(=O)O)O1 Amb27966811 [0,1,0,1,0,0|1,0,0]=3 2448 B11R1.315 CC1CCC(C(=O)O)C1(C)O Amb28368998 [0,1,0,1,0,0|1,0,1]=4 2449 B11R1.667 CC1(C(=O)O)CCNC(=O)C1 Amb32668817 [0,1,0,1,0,0|2,0,0]=4 2450 B11R1.667 CC1(C(N)=O)CCCC(=O)N1 Amb27860558 [0,1,0,1,0,0|2,0,0]=4 2451 B11R1.667 CC1=CCCC(C)(C(=O)O)O1 Amb28245231 [0,1,0,1,0,0|1,0,1]=4 2452 B11R1.667 C[C@@]1(C(=O)O)CCCC(=O)C1 Amb25138624 [0,1,0,1,0,0|1,0,0]=3 2453 B11R1.667 NC1(C(=O)O)CCCC(=O)C1 Amb23560233 [0,1,0,1,0,0|1,0,0]=3 2454 B11R1.667 NC1(C(=O)O)CCCC(O)C1 Amb27607815 [0,1,0,1,0,0|1,0,1]=4 2455 B11R1.667 N[C@@]1(C(=O)O)CCC[C@@H](O)C1 Amb25377812 [0,1,0,1,0,0|1,0,1]=4 2456 B11R1.667 O=C(O)C1(O)CCCC(O)C1 Amb28071186 [0,1,0,1,0,0|1,0,1]=4 2457 B11R1.667 O=C(O)[C@@]1(O)CCC[C@H](O)C1 Amb28131475 [0,1,0,1,0,0|1,0,1]=4 2458 B11R1.667 O=C1CCCC(O)(C(=O)O)O1 Amb27760512 [0,1,0,1,0,0|0,0,0]=2 2459 B11R1.704 CC(=O)[C@@H]1C[C@H]1C(N)C(=O)O Amb27467898 [0,1,0,1,0,0|1,0,0]=3 2460 B11R1.704 NC(C(=O)O)C1CC1C(=O)O Amb24447417 [0,1,0,1,0,0|0,0,0]=2 2461 B11R1.704 NC(C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb27878614 [0,1,0,1,0,0|0,0,0]=2 2462 B11R1.704 N[C@@H](C(=O)O)C1CC1C(=O)O Amb27772027 [0,1,0,1,0,0|0,0,0]=2 2463 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb22352678 [0,1,0,1,0,0|0,0,0]=2 2464 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O Amb19930360 [0,1,0,1,0,0|0,0,0]=2 2465 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O Amb22388556 [0,1,0,1,0,0|0,0,0]=2 2466 B11R1.723 C=C(C)[C@@H]1CCC1(C)C(=O)O Amb28249648 [0,1,0,1,0,0|2,0,0]=4 2467 B11R1.723 C=C(C)[C@@H]1CC[C@@]1(C)C(=O)O Amb26527938 [0,1,0,1,0,0|2,0,0]=4 2468 B11R1.723 C=C(C)[C@@H]1CC[C@]1(C)C(=O)O Amb25919558 [0,1,0,1,0,0|2,0,0]=4 2469 B11R1.723 CC(=O)C1CCC1(C)C(=O)O Amb25858072 [0,1,0,1,0,0|1,0,0]=3 2470 B11R1.723 CC(=O)[C@@H]1CC[C@]1(C)C(=O)O Amb27409379 [0,1,0,1,0,0|1,0,0]=3 2471 B11R1.723 CC(=O)[C@H]1CC[C@@]1(C)C(=O)O Amb27781464 [0,1,0,1,0,0|1,0,0]=3 2472 B11R1.723 NC1(C(=O)O)CCC1C(=O)O Amb24381448 [0,1,0,1,0,0|0,0,0]=2 2473 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb26493344 [0,1,0,1,0,0|0,0,0]=2 2474 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb32665933 [0,1,0,1,0,0|0,0,0]=2 2475 B11R1.927 N[C@@]1(C(=O)O)C[C@H]1CC(=O)O Amb25179270 [0,1,0,1,0,0|0,0,0]=2 2476 B11R1.1386 CC1(C(=O)O)CCCS1(=O)=O Amb27966816 [0,1,0,1,0,0|1,0,1]=4 2477 B11R1.1386 CC1(O)CCCC1(C)C(=O)O Amb18126142 [0,1,0,1,0,0|1,0,1]=4 2478 B11R2.66 O=C1CC2CCC(=O)C2O1 Amb28062982 [0,0,0,2,0,0|1,0,0]=3 2479 B11R2.66 O=C1CC2CCC(O)C2O1 Amb27972610 [0,0,0,2,0,0|1,0,1]=4 2480 B11R2.66 O=C1C[C@@H]2CC[C@H](O)[C@@H]2O1 Amb27632017 [0,0,0,2,0,0|1,0,1]=4 2481 B11R2.66 O=C1C[C@H]2CC[C@@H](O)[C@H]2O1 Amb27456630 [0,0,0,2,0,0|1,0,1]=4 2482 B11R2.66 O=C1C[C@H]2CC[C@H](O)[C@H]2O1 Amb27790348 [0,0,0,2,0,0|1,0,1]=4 2483 B11R2.139 C12CC(=O)CC1CC(=O)C2 Amb17779325 [0,0,0,2,0,0|2,0,0]=4 2484 B11R2.139 O=C1CC2CC(=O)CC2C1 Amb21520316 [0,0,0,2,0,0|2,0,0]=4 2485 B11R2.139 O=C1CC2CC(O)CC2O1 Amb27646561 [0,0,0,2,0,0|1,0,1]=4 2486 B11R2.139 O=C1CC2NC(=O)CC2N1 Amb28044342 [0,0,0,2,0,0|2,0,0]=4 2487 B11R2.139 O=C1C[C@@H]2C[C@H](O)C[C@@H]2O1 Amb28062968 [0,0,0,2,0,0|1,0,1]=4 2488 B11R2.139 O=C1C[C@@H]2C[C@H](O)C[C@H]2O1 Amb2684309 [0,0,0,2,0,0|1,0,1]=4 2489 B11R2.139 O=C1C[C@H]2C[C@@H](O)C[C@H]2O1 Amb22801805 [0,0,0,2,0,0|1,0,1]=4 2490 B11R2.408 O=C(O)[C@@H]1[C@H]2C[C@@H]1[C@H](O)C2 Amb28349337 [0,0,0,2,0,0|1,0,1]=4 2491 B11R2.530 O=C(O)C1C2CCC(=O)C21 Amb25263963 [0,0,0,2,0,0|1,0,0]=3 2492 B11R2.530 O=C(O)[C@@H]1[C@H]2C(=O)CC[C@@H]12 Amb25970058 [0,0,0,2,0,0|1,0,0]=3 2493 B11R2.530 O=C(O)[C@@H]1[C@H]2CCC(=O)[C@H]21 Amb25174904 [0,0,0,2,0,0|1,0,0]=3 2494 B11R2.530 O=C(O)[C@@H]1[C@H]2COC(=O)[C@H]21 Amb27815456 [0,0,0,2,0,0|2,0,0]=4 2495 B11R2.845 O=C(O)C1CC2CCC1O2 Amb18202638 [0,0,0,2,0,0|1,0,1]=4 2496 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@@H]1O2 Amb28133849 [0,0,0,2,0,0|1,0,1]=4 2497 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 Amb24120328 [0,0,0,2,0,0|1,0,1]=4 2498 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 Amb19334556 [0,0,0,2,0,0|1,0,1]=4 2499 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@H]1O2 Amb27963653 [0,0,0,2,0,0|1,0,1]=4 2500 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1O2 Amb27810803 [0,0,0,2,0,0|1,0,1]=4 2501 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1O2 Amb24681023 [0,0,0,2,0,0|1,0,1]=4 2502 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@H]1O2 Amb25230625 [0,0,0,2,0,0|1,0,1]=4 2503 B11R2.104 O=C1CN2C(=O)CCC[C@H]12 Amb28246588 [0,0,0,2,0,0|2,0,0]=4 2504 B11R2.117 O=C1CCC2NC(=O)C2O1 Amb27793323 [0,0,0,2,0,0|1,0,0]=3 2505 B11R2.117 O=C1CC[C@H]2NC(=O)[C@H]2O1 Amb27252641 [0,0,0,2,0,0|1,0,0]=3 2506 B11R2.207 O=C1C=CC(=O)[C@@H]2CC[C@H]12 Amb27768844 [0,0,0,2,0,0|2,0,0]=4 2507 B11R2.207 O=C1CCC(=O)C2CCC12 Amb27973034 [0,0,0,2,0,0|2,0,0]=4 2508 B11R2.839 O=C(O)[C@H]1CC[C@H]2O[C@H]2C1 Amb27420168 [0,0,0,2,0,0|1,0,1]=4 2509 B11R2.706 O=C(O)C1CC12CC(O)C2 Amb35746145 [0,0,0,2,0,0|1,0,1]=4 2510 B11R2.47 O=C1CC2CCC1CC2=O Amb27858986 [0,0,0,2,0,0|2,0,0]=4 2511 B11R2.47 O=C1C[C@@H]2CC[C@H]1CC2=O Amb25315052 [0,0,0,2,0,0|2,0,0]=4 2512 B11R2.47 O=C1C[C@H]2CC[C@@H]1CC2=O Amb24545673 [0,0,0,2,0,0|2,0,0]=4 2513 B11R2.47 O=C1NC2CCC1NC2=O Amb27801415 [0,0,0,2,0,0|2,0,0]=4 2514 B11R2.47 O=C1N[C@@H]2CC[C@H]1NC2=O Amb26440040 [0,0,0,2,0,0|2,0,0]=4 2515 B11R2.47 O=C1O[C@H]2CC[C@@H]1C[C@@H]2O Amb27630933 [0,0,0,2,0,0|1,0,1]=4 2516 B11R2.411 O=C1CC2(C(=O)O)CC2N1 Amb27753264 [0,0,0,2,0,0|2,0,0]=4 2517 B11R2.411 O=C1CC2CC2(C(=O)O)N1 Amb24480704 [0,0,0,2,0,0|1,0,0]=3 2518 B11R2.411 O=C1C[C@@H]2C[C@]2(C(=O)Cl)N1 Amb28194285 [0,0,0,2,0,0|2,0,0]=4 2519 B11R2.411 O=C1C[C@@H]2C[C@]2(C(=O)O)N1 Amb27784689 [0,0,0,2,0,0|1,0,0]=3 2520 B11R2.612 O=C1N[C@@H](C(=O)O)[C@H]2C[C@@H]12 Amb35752797 [0,0,0,2,0,0|1,0,0]=3 2521 B11R2.1837 O=C(O)C1CCCC2OC21 Amb26014539 [0,0,0,2,0,0|1,0,1]=4 2522 B11R2.1837 O=C(O)[C@@H]1CCC[C@@H]2O[C@@H]21 Amb27626945 [0,0,0,2,0,0|1,0,1]=4 2523 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [0,0,0,0,2,0|2,0,0]=4 2524 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [0,0,0,0,2,0|2,0,0]=4 2525 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [0,0,0,0,2,0|2,0,0]=4 2526 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [0,0,0,0,2,0|2,0,0]=4 2527 B7R0.6 CC(=O)CCC(=O)O Amb534169 [0,0,0,0,2,0|1,0,0]=3 2528 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [0,0,0,0,2,0|2,0,0]=4 2529 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [0,0,0,0,2,0|2,0,0]=4 2530 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [0,0,0,0,2,0|1,1,0]=4 2531 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,0,0,0,2,0|2,0,0]=4 2532 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,0,0,0,2,0|2,0,0]=4 2533 B7R0.6 CC(O)CCC(=O)O Amb18294804 [0,0,0,0,2,0|1,0,1]=4 2534 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [0,0,0,0,2,0|2,0,0]=4 2535 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [0,0,0,0,2,0|1,0,1]=4 2536 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [0,0,0,0,2,0|2,0,0]=4 2537 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [0,0,0,0,2,0|1,0,0]=3 2538 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [0,0,0,0,2,0|2,0,0]=4 2539 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [0,0,0,0,2,0|2,0,0]=4 2540 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [0,0,0,0,2,0|1,1,0]=4 2541 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [0,0,0,0,2,0|2,0,0]=4 2542 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [0,0,0,0,2,0|0,0,2]=4 2543 B7R0.6 O=C(O)CCB(O)O Amb24640288 [0,0,0,0,2,0|1,0,1]=4 2544 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [0,0,0,0,2,0|0,0,0]=2 2545 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [0,0,0,0,2,0|0,0,0]=2 2546 B7R0.6 O=C(O)CCP(O)O Amb27424479 [0,0,0,0,2,0|1,0,1]=4 2547 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [0,0,0,0,2,0|1,0,0]=3 2548 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [0,0,0,0,2,0|1,0,1]=4 2549 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [0,0,0,0,2,0|1,0,1]=4 2550 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [0,0,0,0,2,0|1,1,0]=4 2551 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [0,0,0,0,2,0|2,0,0]=4 2552 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [0,0,0,0,2,0|0,0,2]=4 2553 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [0,0,0,0,2,0|0,0,2]=4 2554 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [0,0,0,0,2,0|0,0,2]=4 2555 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [0,0,0,0,2,0|0,0,2]=4 2556 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [0,0,0,0,2,0|0,0,2]=4 2557 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [0,0,0,0,2,0|2,0,0]=4 2558 B11R0.30 C=C(Cl)CCCCCCC(=O)O Amb6299583 [0,0,0,0,0,2|2,0,0]=4 2559 B11R0.30 CC(=O)CCCCCCC(=O)O Amb28653044 [0,0,0,0,0,2|1,0,0]=3 2560 B11R0.30 CC(=O)CCCCCCC(C)=O Amb21962685 [0,0,0,0,0,2|2,0,0]=4 2561 B11R0.30 CC(=O)CSCCSCC(C)=O Amb33104438 [0,0,0,0,0,2|2,0,0]=4 2562 B11R0.30 CC(=O)NCCCCCC(=O)O Amb1208026 [0,0,0,0,0,2|1,0,0]=3 2563 B11R0.30 CC(=O)NCCCCCC(=O)O Amb33513104 [0,0,0,0,0,2|1,0,0]=3 2564 B11R0.30 CC(=O)NCCCCCC(N)=O Amb8998167 [0,0,0,0,0,2|2,0,0]=4 2565 B11R0.30 CC(=O)NCCCCNC(C)=O Amb9810923 [0,0,0,0,0,2|2,0,0]=4 2566 B11R0.30 N=C(N)NCCCCCC(=O)O Amb20621391 [0,0,0,0,0,2|2,0,0]=4 2567 B11R0.30 N=C(N)NCCCCCC(=O)O Amb31291051 [0,0,0,0,0,2|2,0,0]=4 2568 B11R0.30 NC(=O)CCSSCCC(N)=O Amb2405304 [0,0,0,0,0,2|2,0,0]=4 2569 B11R0.30 NC(=O)NCCCCCC(=O)O Amb440324 [0,0,0,0,0,2|1,0,0]=3 2570 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl Amb8514533 [0,0,0,0,0,2|2,0,0]=4 2571 B11R0.30 O=C(Cl)CCSSCCC(=O)Cl Amb24090125 [0,0,0,0,0,2|2,0,0]=4 2572 B11R0.30 O=C(Cl)OCCCCOC(=O)Cl Amb22360630 [0,0,0,0,0,2|2,0,0]=4 2573 B11R0.30 O=C(O)C#CCCC#CC(=O)O Amb22364981 [0,0,0,0,0,2|0,0,2]=4 2574 B11R0.30 O=C(O)CCCCCCC(=O)O Amb533225 [0,0,0,0,0,2|0,0,0]=2 2575 B11R0.30 O=C(O)CCCSCCC(=O)O Amb17501237 [0,0,0,0,0,2|0,0,0]=2 2576 B11R0.30 O=C(O)CCSSCCC(=O)O Amb3941592 [0,0,0,0,0,2|0,0,0]=2 2577 B11R0.30 O=C(O)CC\C=C\CCC(=O)O Amb33986633 [0,0,0,0,0,2|0,0,0]=2 2578 B11R0.30 O=C(O)CNCCNCC(=O)O Amb8513678 [0,0,0,0,0,2|0,0,0]=2 2579 B11R0.30 O=C(O)COCCOCC(=O)O Amb6608730 [0,0,0,0,0,2|0,0,0]=2 2580 B11R0.30 O=C(O)CSCCSCC(=O)O Amb6366454 [0,0,0,0,0,2|0,0,0]=2 2581 B11R0.30 O=C([O-])COCCOCC(=O)[O-] Amb32795010 [0,0,0,0,0,2|0,0,2]=4