0 B9R0.79 C=C(C(N)C(O)=O)C(N)=O Amb25316245 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.79 C=C(C(N)C(O)=O)C(O)=O Amb18644186 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.79 C=C(C(O)=O)C(=C)C(O)=O Amb18643786 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.79 C=C(C(O)C(O)=O)C(O)=O Amb20671613 [0,0,0,0,0,0|1,0,1]=2 4 B9R0.79 CC(=C)C(O)C(C)C(O)=O Amb18644101 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.79 CC(=C)C(O)C(O)C(C)=C Amb24447827 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.79 CC(=C)[C@@H](C)[C@H](C)C(O)=O Amb24480381 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.79 CC(=C)[C@@H](O)[C@H](C)C(O)=O Amb24599978 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.79 CC(=C)[C@H](C)[C@H](C)C(O)=O Amb25122106 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.79 CC(=C)[C@H](O)[C@@H](C)C(O)=O Amb25111582 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.79 CC(=O)C(=C)C(O)C(O)=O Amb24563821 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.79 CC(=O)C(C)C(C)C(O)=O Amb24401092 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.79 CC(=O)C(C)C(N)C(O)=O Amb18202116 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.79 CC(=O)C(C)C(O)C(O)=O Amb25341155 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.79 CC(=O)C(O)C(C)C(O)=O Amb25255327 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.79 CC(=O)C(O)C(O)C(F)F Amb25718290 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.79 CC(=O)C(O)C(O)C(O)=O Amb25292189 [0,0,0,0,0,0|1,0,0]=1 17 B9R0.79 CC(=O)N(C)C(C)C(O)=O Amb18288022 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.79 CC(=O)N(C)[C@@H](C)C(O)=O Amb25709201 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.79 CC(=O)[C@@H](C)[C@@H](C)C(C)=O Amb25146730 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.79 CC(=O)[C@@H](C)[C@H](C)C(O)=O Amb25771163 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(O)=O Amb25703453 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.79 CC(=O)[C@@H](O)[C@@H](O)C(C)=O Amb17666645 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.79 CC(=O)[C@@H](O)[C@H](C)C(O)=O Amb25077192 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.79 CC(=O)[C@@H](O)[C@H](O)C(C)=O Amb25146821 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.79 CC(=O)[C@H](C)[C@H](C)C(O)=O Amb25805859 [0,0,0,0,0,0|3,0,0]=3 26 B9R0.79 CC(=O)[C@H](C)[C@H](O)C(O)=O Amb24376865 [0,0,0,0,0,0|2,0,0]=2 27 B9R0.79 CC(=O)\C(\O)=C(/O)\C(C)=O Amb24524348 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.79 CC(C(=C)C(O)=O)C(O)=O Amb18644063 [0,0,0,0,0,0|2,0,1]=3 29 B9R0.79 CC(C(C)C(=O)Cl)C(=O)Cl Amb22347385 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.79 CC(C(Cl)C(C)=O)C(C)=O Amb24357432 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.79 CC(C(O)=O)=C(C)C(O)=O Amb24712245 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.79 CC(C(O)=O)N(C)C(N)=O Amb18962712 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.79 CC(C(O)C(C)=C)C(C)=O Amb25145557 [0,0,0,0,0,0|4,0,0]=4 34 B9R0.79 CC(C(O)C(N)=O)C(O)=O Amb25728281 [0,0,0,0,0,0|2,0,0]=2 35 B9R0.79 CC(C(O)C(O)=O)N(C)C Amb25274735 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.79 CC(C)C(O)C(Br)C(O)=O Amb25313138 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.79 CC(C)C(O)C(C)C(O)=O Amb18990636 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.79 CC(C)C(O)C(Cl)C(O)=O Amb25275308 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.79 CC(C)C(O)C(N)C(O)=O Amb23399656 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.79 CC(C)C(O)C(O)C(C)=O Amb25834304 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.79 CC(C)C(O)[C@@H](N)C(O)=O Amb19130451 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.79 CC(C)C(O)[C@H](N)C(O)=O Amb24509492 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.79 CC(C)[C@@H](C)[C@H](O)C(O)=O Amb24447350 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.79 CC(C)[C@@H](N)C(O)C(O)=O Amb25258947 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(O)=O Amb22224932 [0,0,0,0,0,0|3,0,1]=4 46 B9R0.79 CC(C)[C@@H](O)[C@@H](O)C(O)=O Amb25222321 [0,0,0,0,0,0|2,0,1]=3 47 B9R0.79 CC(C)[C@@H](O)[C@H](O)C(C)=O Amb24378529 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.79 CC(C)[C@@H](O)[C@H](O)C(O)=O Amb24550312 [0,0,0,0,0,0|2,0,1]=3 49 B9R0.79 CC(C)[C@H](C)[C@H](O)C(O)=O Amb24548143 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.79 CC(C)[C@H](N)C(O)C(O)=O Amb24744520 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.79 CC(C)[C@H](N)[C@@H](O)C(O)=O Amb24428177 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.79 CC(C)[C@H](N)[C@H](O)C(O)=O Amb25147282 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.79 CC(C)[C@H](O)[C@@H](Br)C(O)=O Amb24598278 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.79 CC(O)C(C)C(N)C(O)=O Amb21953714 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.79 CC(O)C(C)[C@@H](N)C(O)=O Amb22800202 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.79 CC(O)C(O)C(O)C(C)=O Amb25145498 [0,0,0,0,0,0|2,0,1]=3 57 B9R0.79 CC(O)C(O)C(O)C(C)O Amb25144095 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(O)=O Amb24052812 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.79 CC([C@@H](N)C(O)=O)C(O)=O Amb22745450 [0,0,0,0,0,0|2,0,0]=2 60 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)C)O Amb10603785 [0,0,0,0,0,0|3,0,1]=4 61 B9R0.79 CC([C@@H]([C@H](C(=O)O)C)O)C Amb10844253 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.79 CC([C@@H]([C@H](C(=O)O)N)O)C Amb10807407 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.79 CN(O)C(C)C(C)C(O)=O Amb24540667 [0,0,0,0,0,0|4,0,0]=4 64 B9R0.79 C[C@@H](O)C(O)[C@H](N)C(O)=O Amb24435507 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.79 C[C@@H](O)[C@@H](C)[C@@H](N)C(O)=O Amb25693814 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.79 C[C@@H](O)[C@@H](C)[C@H](N)C(O)=O Amb24340188 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(C)=O Amb24661092 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.79 C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O Amb25787083 [0,0,0,0,0,0|2,0,2]=4 69 B9R0.79 C[C@@H](O)[C@H](O)[C@@H](O)C(O)=O Amb24482345 [0,0,0,0,0,0|1,0,1]=2 70 B9R0.79 C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](C)O Amb25788128 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.79 C[C@@H](O)[C@H](O)[C@H](O)C(O)=O Amb24711187 [0,0,0,0,0,0|1,0,1]=2 72 B9R0.79 C[C@@H]([C@@H](C)C(O)=O)C(O)=O Amb22801175 [0,0,0,0,0,0|2,0,0]=2 73 B9R0.79 C[C@@H]([C@H](N)C(O)=O)C(O)=O Amb22756698 [0,0,0,0,0,0|2,0,0]=2 74 B9R0.79 C[C@@H]([C@H](O)C(C)=C)C(C)=O Amb25146727 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.79 C[C@@H]([C@H](O)C(O)=O)N(C)C Amb24480709 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.79 C[C@@H]([C@H](O)[C@H](C)N)C(O)=O Amb24563136 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.79 C[C@H](C(=C)C(O)=O)C(O)=O Amb24480380 [0,0,0,0,0,0|2,0,1]=3 78 B9R0.79 C[C@H](O)C(C)[C@H](N)C(O)=O Amb22735316 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)C(N)=O Amb24712923 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)C(O)=O Amb25374422 [0,0,0,0,0,0|1,0,1]=2 81 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)C(O)O Amb25356414 [0,0,0,0,0,0|1,0,3]=4 82 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O Amb24752284 [0,0,0,0,0,0|2,0,2]=4 83 B9R0.79 C[C@H]([C@@H](C)C(O)=O)C(N)=O Amb25113911 [0,0,0,0,0,0|3,0,0]=3 84 B9R0.79 C[C@H]([C@@H]([C@@H](C(=O)O)N)C)O Amb17615448 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.79 C[C@H]([C@H](C)C(N)=O)C(N)=O Amb25091711 [0,0,0,0,0,0|4,0,0]=4 86 B9R0.79 C[C@H]([C@H](Cl)C(O)=O)C(O)=O Amb25684803 [0,0,0,0,0,0|2,0,0]=2 87 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(O)=O Amb25324829 [0,0,0,0,0,0|2,0,0]=2 88 B9R0.79 C\C(\C(O)=O)=C(/C)\C(O)=O Amb18644072 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.79 C\C(\C(O)=O)=C(\C)/C(O)=O Amb24308873 [0,0,0,0,0,0|2,0,2]=4 90 B9R0.79 NC(=O)C(Br)C(Br)C(N)=O Amb25243175 [0,0,0,0,0,0|4,0,0]=4 91 B9R0.79 NC(=O)C(F)C(N)C(O)=O Amb25300324 [0,0,0,0,0,0|3,0,0]=3 92 B9R0.79 NC(=O)C(F)[C@H](N)C(O)=O Amb24691333 [0,0,0,0,0,0|3,0,0]=3 93 B9R0.79 NC(=O)C(O)C(F)C(N)=O Amb24710117 [0,0,0,0,0,0|3,0,0]=3 94 B9R0.79 NC(=O)C(O)C(N)C(O)=O Amb25218088 [0,0,0,0,0,0|2,0,0]=2 95 B9R0.79 NC(=O)C(O)C(O)C(O)=O Amb24112928 [0,0,0,0,0,0|1,0,0]=1 96 B9R0.79 NC(=O)C(S)C(S)C(N)=O Amb25804691 [0,0,0,0,0,0|2,2,0]=4 97 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(O)=O Amb24584998 [0,0,0,0,0,0|2,0,0]=2 98 B9R0.79 NC(=O)[C@@H](O)[C@@H](O)C(N)=O Amb25738404 [0,0,0,0,0,0|2,0,0]=2 99 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(O)=O Amb24763774 [0,0,0,0,0,0|2,0,0]=2 100 B9R0.79 NC(=O)[C@@H](O)[C@H](O)C(O)=O Amb25147369 [0,0,0,0,0,0|1,0,0]=1 101 B9R0.79 NC(=O)[C@H](N)[C@H](N)C(O)=O Amb24358166 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.79 NC(=O)[C@H](N)[C@H](O)C(O)=O Amb25789713 [0,0,0,0,0,0|2,0,0]=2 103 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,0,0,0,0,0|2,0,0]=2 104 B9R0.79 NC(=O)[C@H](O)[C@H](O)C(O)=O Amb24630392 [0,0,0,0,0,0|1,0,0]=1 105 B9R0.79 NC(=S)C(O)C(O)C(O)=O Amb25855735 [0,0,0,0,0,0|1,1,0]=2 106 B9R0.79 NC(C(Br)C(O)=O)C(O)=O Amb18657078 [0,0,0,0,0,0|2,0,0]=2 107 B9R0.79 NC(C(Cl)C(O)=O)C(O)=O Amb18126453 [0,0,0,0,0,0|2,0,0]=2 108 B9R0.79 NC(C(F)C(O)=O)C(O)=O Amb24061061 [0,0,0,0,0,0|2,0,0]=2 109 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb18124865 [0,0,0,0,0,0|2,0,0]=2 110 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb24117894 [0,0,0,0,0,0|2,0,0]=2 111 B9R0.79 NC(C(O)=O)=C(N)C(O)=O Amb25349480 [0,0,0,0,0,0|2,0,2]=4 112 B9R0.79 NC(C(O)C(F)F)C(O)=O Amb19148422 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.79 NC(C(O)C(N)=O)C(N)=O Amb25733436 [0,0,0,0,0,0|3,0,0]=3 114 B9R0.79 NC([C@H](O)C(O)=O)C(O)=O Amb24513602 [0,0,0,0,0,0|1,0,0]=1 115 B9R0.79 N[C@@H](C(O)C(O)=O)C(O)=O Amb22229324 [0,0,0,0,0,0|1,0,0]=1 116 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24087715 [0,0,0,0,0,0|1,0,0]=1 117 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24117974 [0,0,0,0,0,0|1,0,0]=1 118 B9R0.79 N[C@H]([C@@H](C(=O)O)N)C(=O)O Amb10072362 [0,0,0,0,0,0|2,0,0]=2 119 B9R0.79 N[C@H]([C@@H](F)C(O)=O)C(O)=O Amb22229006 [0,0,0,0,0,0|2,0,0]=2 120 B9R0.79 N[C@H]([C@@H](N)C(O)=O)C(O)=O Amb22802394 [0,0,0,0,0,0|2,0,0]=2 121 B9R0.79 N[C@H]([C@@H](O)C(O)=O)C(O)=O Amb17942870 [0,0,0,0,0,0|1,0,0]=1 122 B9R0.79 N[C@H]([C@H](F)C(O)=O)C(O)=O Amb24634454 [0,0,0,0,0,0|2,0,0]=2 123 B9R0.79 N[C@H]([C@H](O)C(N)=O)C(N)=O Amb24359322 [0,0,0,0,0,0|3,0,0]=3 124 B9R0.79 N\C(\C(O)=O)=C(/N)\C(O)=O Amb24578776 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.79 OC(=O)C(=O)C(=O)C(O)=O Amb22234966 [0,0,0,0,0,0|0,0,4]=4 126 B9R0.79 OC(=O)C(C(C(=O)O)C)Cl Amb17594150 [0,0,0,0,0,0|2,0,0]=2 127 B9R0.79 OC(=O)C(C(C(=O)O)C)N Amb2099482 [0,0,0,0,0,0|2,0,0]=2 128 B9R0.79 OC(=O)C(C(C(=O)O)C)O Amb17593680 [0,0,0,0,0,0|1,0,0]=1 129 B9R0.79 OC(=O)C(C(C(=O)O)O)Cl Amb17594225 [0,0,0,0,0,0|1,0,0]=1 130 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb16224824 [0,0,0,0,0,0|0,0,0]=0 131 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553366 [0,0,0,0,0,0|0,0,0]=0 132 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553386 [0,0,0,0,0,0|0,0,0]=0 133 B9R0.79 OC(=O)C(Cl)=C(Cl)C(O)=O Amb25173036 [0,0,0,0,0,0|2,0,2]=4 134 B9R0.79 OC(=O)C(F)C(Br)C(O)=O Amb24759132 [0,0,0,0,0,0|2,0,0]=2 135 B9R0.79 OC(=O)C(F)C(F)C(O)=O Amb24482465 [0,0,0,0,0,0|2,0,0]=2 136 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22732623 [0,0,0,0,0,0|0,0,0]=0 137 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22747860 [0,0,0,0,0,0|0,0,0]=0 138 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22904195 [0,0,0,0,0,0|0,0,0]=0 139 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24107517 [0,0,0,0,0,0|0,0,0]=0 140 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24668916 [0,0,0,0,0,0|0,0,0]=0 141 B9R0.79 OC(=O)[C@@H](Cl)[C@@H](Cl)C(O)=O Amb25146239 [0,0,0,0,0,0|2,0,0]=2 142 B9R0.79 OC(=O)[C@@H](F)[C@H](Cl)C(O)=O Amb25061294 [0,0,0,0,0,0|2,0,0]=2 143 B9R0.79 OC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb22230832 [0,0,0,0,0,0|0,0,0]=0 144 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb19884028 [0,0,0,0,0,0|0,0,0]=0 145 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22224835 [0,0,0,0,0,0|0,0,0]=0 146 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22750609 [0,0,0,0,0,0|0,0,0]=0 147 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22756774 [0,0,0,0,0,0|0,0,0]=0 148 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800414 [0,0,0,0,0,0|0,0,0]=0 149 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801138 [0,0,0,0,0,0|0,0,0]=0 150 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801799 [0,0,0,0,0,0|0,0,0]=0 151 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N Amb16232531 [0,0,0,0,0,0|2,0,0]=2 152 B9R0.79 OC(=O)[C@H](Cl)[C@@H](Cl)C(O)=O Amb24390367 [0,0,0,0,0,0|2,0,0]=2 153 B9R0.79 OC(=O)[C@H](F)[C@H](Cl)C(O)=O Amb25774512 [0,0,0,0,0,0|2,0,0]=2 154 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb19884026 [0,0,0,0,0,0|0,0,0]=0 155 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20240604 [0,0,0,0,0,0|0,0,0]=0 156 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20670711 [0,0,0,0,0,0|0,0,0]=0 157 B9R0.79 OC(=O)[C@H](S)[C@@H](S)C(O)=O Amb25374645 [0,0,0,0,0,0|0,2,0]=2 158 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)N)O Amb17615140 [0,0,0,0,0,0|1,0,0]=1 159 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O Amb10604195 [0,0,0,0,0,0|0,0,0]=0 160 B9R0.79 OC(=O)\C(\Br)=C(\Br)/C(O)=O Amb22347940 [0,0,0,0,0,0|2,0,2]=4 161 B9R0.79 OC(=O)\C(\Cl)=C(\Cl)/C(O)=O Amb18522185 [0,0,0,0,0,0|2,0,2]=4 162 B9R0.79 OC(=O)\C(\F)=C(\Cl)/C(O)=O Amb24711227 [0,0,0,0,0,0|2,0,2]=4 163 B9R0.79 OC(=O)\C(\O)=C(/O)\C(O)=O Amb18511532 [0,0,0,0,0,0|0,0,2]=2 164 B9R0.79 OC(C(C(=O)C)O)C(=O)C Amb17593650 [0,0,0,0,0,0|2,0,0]=2 165 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] Amb10558451 [0,0,0,0,0,0|0,0,2]=2 166 B9R0.79 OC(C(F)C(O)=O)C(O)=O Amb24479232 [0,0,0,0,0,0|1,0,0]=1 167 B9R0.79 OC(C(O)C(=O)Cl)C(=O)Cl Amb25187317 [0,0,0,0,0,0|2,0,0]=2 168 B9R0.79 OC(C(O)C(F)F)C(O)=O Amb24639614 [0,0,0,0,0,0|2,0,1]=3 169 B9R0.79 OC(C(S)C(O)=O)C(O)=O Amb25776261 [0,0,0,0,0,0|0,1,0]=1 170 B9R0.79 OC(O)[C@H](O)[C@@H](O)C(O)O Amb24481168 [0,0,0,0,0,0|0,0,4]=4 171 B9R0.79 O[C@@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24524583 [0,0,0,0,0,0|1,0,0]=1 172 B9R0.79 O[C@@H]([C@H](Br)C(O)=O)C(O)=O Amb24680321 [0,0,0,0,0,0|1,0,0]=1 173 B9R0.79 O[C@@H]([C@H](F)C(O)=O)C(O)=O Amb24470062 [0,0,0,0,0,0|1,0,0]=1 174 B9R0.79 O[C@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24390265 [0,0,0,0,0,0|1,0,0]=1 175 B9R0.79 O[C@H]([C@@H](O)C(=O)Cl)C(=O)Cl Amb25831919 [0,0,0,0,0,0|2,0,0]=2 176 B9R0.79 O\C(=C(\C(=O)O)/O)\C(=O)O Amb17593679 [0,0,0,0,0,0|0,0,2]=2 177 B9R0.79 [2H]\C(\C(O)=O)=C(\[2H])/C(O)=O Amb22338640 [0,0,0,0,0,0|2,0,2]=4 178 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb20246422 [0,0,0,0,0,0|0,0,1]=1 179 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb22052542 [0,0,0,0,0,0|0,0,1]=1 180 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb19959974 [0,0,0,0,0,0|0,0,2]=2 181 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb20246805 [0,0,0,0,0,0|0,0,2]=2 182 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22043187 [0,0,0,0,0,0|0,0,2]=2 183 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22051664 [0,0,0,0,0,0|0,0,2]=2 184 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22052534 [0,0,0,0,0,0|0,0,2]=2 185 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22052640 [0,0,0,0,0,0|0,0,2]=2 186 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22054182 [0,0,0,0,0,0|0,0,2]=2 187 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22167369 [0,0,0,0,0,0|0,0,2]=2 188 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22230382 [0,0,0,0,0,0|0,0,2]=2 189 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22338780 [0,0,0,0,0,0|0,0,2]=2 190 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22730412 [0,0,0,0,0,0|0,0,2]=2 191 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22730657 [0,0,0,0,0,0|0,0,2]=2 192 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22731372 [0,0,0,0,0,0|0,0,2]=2 193 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22732246 [0,0,0,0,0,0|0,0,2]=2 194 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22732893 [0,0,0,0,0,0|0,0,2]=2 195 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22733947 [0,0,0,0,0,0|0,0,2]=2 196 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22733989 [0,0,0,0,0,0|0,0,2]=2 197 B9R0.79 [O-]C(=O)[C@@H](O)[C@@H](O)C([O-])=O Amb22801615 [0,0,0,0,0,0|0,0,2]=2 198 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22348349 [0,0,0,0,0,0|0,0,1]=1 199 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800925 [0,0,0,0,0,0|0,0,1]=1 200 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C(O)=O Amb22353007 [0,0,0,0,0,0|0,0,1]=1 201 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22336596 [0,0,0,0,0,0|0,0,2]=2 202 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22337906 [0,0,0,0,0,0|0,0,2]=2 203 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348174 [0,0,0,0,0,0|0,0,2]=2 204 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348226 [0,0,0,0,0,0|0,0,2]=2 205 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348279 [0,0,0,0,0,0|0,0,2]=2 206 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22350400 [0,0,0,0,0,0|0,0,2]=2 207 B9R0.79 [O-]C(C(O)C([O-])=O)C([O-])=O Amb22043193 [0,0,0,0,0,0|0,0,3]=3 208 B8R0.2 C=C(C(O)CO)C(O)=O Amb18642874 [1,0,0,0,0,0|1,0,2]=4 209 B8R0.2 C=CC(O)C(N)C(O)=O Amb18642830 [1,0,0,0,0,0|2,0,0]=3 210 B8R0.2 C=C[C@@H](O)[C@H](N)C(O)=O Amb25111565 [1,0,0,0,0,0|2,0,0]=3 211 B8R0.2 C=C[C@H](O)[C@H](N)C(O)=O Amb25328036 [1,0,0,0,0,0|2,0,0]=3 212 B8R0.2 CC(=C)C(O)C(O)C=C Amb25806772 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.2 CC(=O)C(O)C(O)C=O Amb24633454 [1,0,0,0,0,0|1,0,0]=2 214 B8R0.2 CC(=O)[C@@H](O)[C@@H](O)C=O Amb25032290 [1,0,0,0,0,0|1,0,0]=2 215 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO Amb24477828 [1,0,0,0,0,0|1,0,1]=3 216 B8R0.2 CC(C#C)C(O)C(O)=O Amb24417906 [1,0,0,0,0,0|2,0,1]=4 217 B8R0.2 CC(C(C)C=C)C(O)=O Amb18642611 [1,0,0,0,0,0|3,0,0]=4 218 B8R0.2 CC(C(C)C=O)C(O)=O Amb24468282 [1,0,0,0,0,0|2,0,0]=3 219 B8R0.2 CC(C(O)=O)N(C)C=O Amb18284942 [1,0,0,0,0,0|3,0,0]=4 220 B8R0.2 CC(C(O)C#C)C(O)=O Amb25123215 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.2 CC(C(O)C=C)C(O)=O Amb18642774 [1,0,0,0,0,0|2,0,0]=3 222 B8R0.2 CC(C)=C(O)C(O)C=O Amb24423747 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.2 CC(C=C)C(Br)C(O)=O Amb25102712 [1,0,0,0,0,0|3,0,0]=4 224 B8R0.2 CC(C=C)C(F)C(O)=O Amb24426918 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.2 CC(C=C)C(N)C(O)=O Amb18989861 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.2 CC(C=C)C(O)C(O)=O Amb18642750 [1,0,0,0,0,0|2,0,0]=3 227 B8R0.2 CC(C=O)C(N)C(O)=O Amb24374650 [1,0,0,0,0,0|2,0,0]=3 228 B8R0.2 CC(CC)C(O)C(O)=O Amb18288809 [1,0,0,0,0,0|2,0,1]=4 229 B8R0.2 CC(CC)[C@@H](O)C(O)=O Amb25083795 [1,0,0,0,0,0|2,0,1]=4 230 B8R0.2 CC(CC)[C@H](O)C(O)=O Amb24700212 [1,0,0,0,0,0|2,0,1]=4 231 B8R0.2 CC(CN)C(O)C(O)=O Amb18642919 [1,0,0,0,0,0|2,0,1]=4 232 B8R0.2 CC(NC)C(O)C(O)=O Amb24477689 [1,0,0,0,0,0|3,0,0]=4 233 B8R0.2 CC(O)C(O)C(O)C=O Amb24711583 [1,0,0,0,0,0|1,0,1]=3 234 B8R0.2 CC(O)[C@@H](O)[C@H](O)CO Amb24687810 [1,0,0,0,0,0|1,0,2]=4 235 B8R0.2 CCC(C(C(=O)O)C)O Amb10844267 [1,0,0,0,0,0|2,0,1]=4 236 B8R0.2 CCC(O)C(N)C(O)=O Amb18203168 [1,0,0,0,0,0|2,0,1]=4 237 B8R0.2 CCC(O)C(O)C(C)=O Amb24736298 [1,0,0,0,0,0|2,0,1]=4 238 B8R0.2 CCC(O)C(O)C(O)=O Amb24441607 [1,0,0,0,0,0|1,0,1]=3 239 B8R0.2 CCC(O)[C@@H](N)C(O)=O Amb22750712 [1,0,0,0,0,0|2,0,1]=4 240 B8R0.2 CCC(O)[C@H](N)C(O)=O Amb24364655 [1,0,0,0,0,0|2,0,1]=4 241 B8R0.2 CC[C@@H](N)[C@H](O)C(O)=O Amb22831530 [1,0,0,0,0,0|2,0,1]=4 242 B8R0.2 CC[C@@H](O)[C@@H](N)C(O)=O Amb24087716 [1,0,0,0,0,0|2,0,1]=4 243 B8R0.2 CC[C@@H](O)[C@H](N)C(O)=O Amb24105353 [1,0,0,0,0,0|2,0,1]=4 244 B8R0.2 CC[C@@H](O)[C@H](O)C(O)=O Amb24431211 [1,0,0,0,0,0|1,0,1]=3 245 B8R0.2 CC[C@@H]([C@H](C(=O)O)O)C Amb10576171 [1,0,0,0,0,0|2,0,1]=4 246 B8R0.2 CC[C@H](N)[C@@H](O)C(O)=O Amb24449588 [1,0,0,0,0,0|2,0,1]=4 247 B8R0.2 CC[C@H](N)[C@H](O)C(O)=O Amb24477817 [1,0,0,0,0,0|2,0,1]=4 248 B8R0.2 CN(C=O)C(O)C(O)=O Amb24069122 [1,0,0,0,0,0|2,0,0]=3 249 B8R0.2 C[C@@H](C(O)=O)N(C)C=O Amb24558225 [1,0,0,0,0,0|3,0,0]=4 250 B8R0.2 C[C@@H](C=C)[C@H](N)C(O)=O Amb24340139 [1,0,0,0,0,0|3,0,0]=4 251 B8R0.2 C[C@@H](C=O)[C@H](N)C(O)=O Amb25142449 [1,0,0,0,0,0|2,0,0]=3 252 B8R0.2 C[C@@H](CC)C(O)C(O)=O Amb25088995 [1,0,0,0,0,0|2,0,1]=4 253 B8R0.2 C[C@@H](CO)[C@@H](N)C(O)=O Amb24117487 [1,0,0,0,0,0|2,0,1]=4 254 B8R0.2 C[C@@H](CO)[C@H](N)C(O)=O Amb24117488 [1,0,0,0,0,0|2,0,1]=4 255 B8R0.2 C[C@@H](NC)[C@H](O)C(O)=O Amb25146143 [1,0,0,0,0,0|3,0,0]=4 256 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)CO Amb25056707 [1,0,0,0,0,0|1,0,2]=4 257 B8R0.2 C[C@@H](O)[C@@H](O)[C@H](O)C=O Amb22229972 [1,0,0,0,0,0|1,0,1]=3 258 B8R0.2 C[C@@H](O)[C@@H](O)[C@H](O)CO Amb25283309 [1,0,0,0,0,0|1,0,2]=4 259 B8R0.2 C[C@@H](O)[C@H](O)[C@@H](O)C=O Amb25803604 [1,0,0,0,0,0|1,0,1]=3 260 B8R0.2 C[C@@H](O)[C@H](O)[C@H](O)CO Amb25042518 [1,0,0,0,0,0|1,0,2]=4 261 B8R0.2 C[C@@H](OC)[C@H](O)C(O)=O Amb25316180 [1,0,0,0,0,0|3,0,0]=4 262 B8R0.2 C[C@@H]([C@@H](C)C=C)C(O)=O Amb24721924 [1,0,0,0,0,0|3,0,0]=4 263 B8R0.2 C[C@@H]([C@@H](C)C=O)C(O)=O Amb24470204 [1,0,0,0,0,0|2,0,0]=3 264 B8R0.2 C[C@@H]([C@@H](C)CO)C(O)=O Amb24696822 [1,0,0,0,0,0|2,0,1]=4 265 B8R0.2 C[C@@H]([C@@H](O)CC)C(O)=O Amb24427100 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.2 C[C@@H]([C@H](O)C=C)C(O)=O Amb24622455 [1,0,0,0,0,0|2,0,0]=3 267 B8R0.2 C[C@@H]([C@H](O)CC)C(O)=O Amb24472165 [1,0,0,0,0,0|2,0,1]=4 268 B8R0.2 C[C@H](C=C)[C@@H](N)C(O)=O Amb24460813 [1,0,0,0,0,0|3,0,0]=4 269 B8R0.2 C[C@H](C=C)[C@H](Br)C(O)=O Amb25074908 [1,0,0,0,0,0|3,0,0]=4 270 B8R0.2 C[C@H](C=C)[C@H](Cl)C(O)=O Amb24361246 [1,0,0,0,0,0|3,0,0]=4 271 B8R0.2 C[C@H](C=C)[C@H](F)C(O)=O Amb25138124 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.2 C[C@H](C=O)[C@@H](O)C(C)=O Amb25768475 [1,0,0,0,0,0|2,0,0]=3 273 B8R0.2 C[C@H](CC)[C@H](O)C(O)=O Amb25703176 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.2 C[C@H](NC)[C@H](O)C(O)=O Amb25755974 [1,0,0,0,0,0|3,0,0]=4 275 B8R0.2 C[C@H](O)[C@@H](O)[C@@H](O)C=O Amb24741570 [1,0,0,0,0,0|1,0,1]=3 276 B8R0.2 C[C@H](O)[C@@H](O)[C@@H](O)CO Amb24615371 [1,0,0,0,0,0|1,0,2]=4 277 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O Amb22229973 [1,0,0,0,0,0|1,0,1]=3 278 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)CO Amb25045742 [1,0,0,0,0,0|1,0,2]=4 279 B8R0.2 C[C@H](OC)[C@@H](O)C(O)=O Amb25140960 [1,0,0,0,0,0|3,0,0]=4 280 B8R0.2 C[C@H]([C@H](C)C=C)C(O)=O Amb24528497 [1,0,0,0,0,0|3,0,0]=4 281 B8R0.2 C\C(=C\C)\C(O)C(O)=O Amb24495368 [1,0,0,0,0,0|2,0,1]=4 282 B8R0.2 ClCC(C(C(=O)O)O)O Amb17593871 [1,0,0,0,0,0|1,0,1]=3 283 B8R0.2 FC[C@H]([C@@H](C(=O)O)N)O Amb13883676 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.2 NC(=O)[C@@H](O)[C@@H](O)CO Amb24533413 [1,0,0,0,0,0|1,0,1]=3 285 B8R0.2 NC(=O)[C@H](O)[C@@H](O)C#N Amb25185361 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.2 NC(=O)[C@H](O)[C@H](O)CO Amb25146059 [1,0,0,0,0,0|1,0,1]=3 287 B8R0.2 NC(C(O)CO)C(O)=O Amb18642974 [1,0,0,0,0,0|1,0,1]=3 288 B8R0.2 NC(CO)C(O)C(O)=O Amb25270055 [1,0,0,0,0,0|1,0,1]=3 289 B8R0.2 NC[C@H](O)[C@@H](O)C(O)=O Amb25323660 [1,0,0,0,0,0|1,0,1]=3 290 B8R0.2 NC[C@H](O)[C@H](O)C(O)=O Amb25242625 [1,0,0,0,0,0|1,0,1]=3 291 B8R0.2 N[C@@H](C(O)CBr)C(O)=O Amb24391545 [1,0,0,0,0,0|2,0,1]=4 292 B8R0.2 N[C@@H](C(O)CF)C(O)=O Amb24426022 [1,0,0,0,0,0|2,0,1]=4 293 B8R0.2 N[C@@H](CO)[C@H](O)C(O)=O Amb25738857 [1,0,0,0,0,0|1,0,1]=3 294 B8R0.2 N[C@@H]([C@@H](O)CBr)C(O)=O Amb24480277 [1,0,0,0,0,0|2,0,1]=4 295 B8R0.2 N[C@@H]([C@@H](O)CO)C(N)=O Amb24717733 [1,0,0,0,0,0|2,0,1]=4 296 B8R0.2 N[C@@H]([C@@H](O)CO)C(O)=O Amb25678241 [1,0,0,0,0,0|1,0,1]=3 297 B8R0.2 N[C@@H]([C@H](N)CO)C(O)=O Amb24761920 [1,0,0,0,0,0|2,0,1]=4 298 B8R0.2 N[C@@H]([C@H](O)CCl)C(O)=O Amb25324441 [1,0,0,0,0,0|2,0,1]=4 299 B8R0.2 N[C@@H]([C@H](O)CO)C(O)=O Amb24674136 [1,0,0,0,0,0|1,0,1]=3 300 B8R0.2 N[C@H](CO)[C@H](O)C(N)=O Amb24677605 [1,0,0,0,0,0|2,0,1]=4 301 B8R0.2 N[C@H](CO)[C@H](O)C(O)=O Amb25090400 [1,0,0,0,0,0|1,0,1]=3 302 B8R0.2 N[C@H]([C@@H](O)CO)C(=O)Cl Amb25707913 [1,0,0,0,0,0|2,0,1]=4 303 B8R0.2 N[C@H]([C@@H](O)CO)C(O)=O Amb25836554 [1,0,0,0,0,0|1,0,1]=3 304 B8R0.2 N[C@H]([C@H](O)CO)C(O)=O Amb24671346 [1,0,0,0,0,0|1,0,1]=3 305 B8R0.2 O=C[C@@H]([C@@H]([C@H](O)C)O)O Amb10602917 [1,0,0,0,0,0|1,0,1]=3 306 B8R0.2 OC(=O)C(=O)C(Br)C=O Amb25074432 [1,0,0,0,0,0|1,0,2]=4 307 B8R0.2 OC(=O)C(=O)C(Cl)C=O Amb25363255 [1,0,0,0,0,0|1,0,2]=4 308 B8R0.2 OC(=O)C(O)=C(Cl)C=O Amb24518465 [1,0,0,0,0,0|1,0,2]=4 309 B8R0.2 OC(=O)\C(\O)=C(\Cl)/C=O Amb25361999 [1,0,0,0,0,0|1,0,2]=4 310 B8R0.2 OC(C(O)C=O)C(O)=O Amb18124399 [1,0,0,0,0,0|0,0,0]=1 311 B8R0.2 OC(C(O)CBr)C(O)=O Amb24358122 [1,0,0,0,0,0|1,0,1]=3 312 B8R0.2 OC(CF)C(Br)C(O)=O Amb25733261 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.2 OC(O)C(O)C(O)CO Amb25680590 [1,0,0,0,0,0|0,0,3]=4 314 B8R0.2 OC(O)[C@@H](O)[C@H](O)CO Amb25225984 [1,0,0,0,0,0|0,0,3]=4 315 B8R0.2 OC(O)[C@H](O)[C@H](O)CO Amb24532917 [1,0,0,0,0,0|0,0,3]=4 316 B8R0.2 OCC(O)C(O)C(O)=O Amb22495524 [1,0,0,0,0,0|0,0,1]=2 317 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O Amb22801448 [1,0,0,0,0,0|0,0,1]=2 318 B8R0.2 OC[C@H](O)[C@@H](O)C([O-])=O Amb17943095 [1,0,0,0,0,0|0,0,2]=3 319 B8R0.2 OC[C@H](O)[C@H](O)C(O)=O Amb25223742 [1,0,0,0,0,0|0,0,1]=2 320 B8R0.2 O[C@@H]([C@H](O)CBr)C(O)=O Amb24426113 [1,0,0,0,0,0|1,0,1]=3 321 B8R0.2 O[C@@H]([C@H](O)CCl)C(O)=O Amb25836734 [1,0,0,0,0,0|1,0,1]=3 322 B8R0.2 [O-]C(=O)C(O)C(O)CO Amb22552521 [1,0,0,0,0,0|0,0,2]=3 323 B8R0.2 [O-]C(=O)C(O)C(O)CO Amb22733096 [1,0,0,0,0,0|0,0,2]=3 324 B8R0.2 [O-]C(=O)C(O)C(O)CO Amb22734344 [1,0,0,0,0,0|0,0,2]=3 325 B8R0.2 [O-]C(=O)[C@@H](O)[C@H](O)CO Amb22744783 [1,0,0,0,0,0|0,0,2]=3 326 B8R0.23 C=C(Br)C(O)CC(O)=O Amb24648348 [1,0,0,0,0,0|2,0,0]=3 327 B8R0.23 C=C(Br)CC(N)C(O)=O Amb24557771 [1,0,0,0,0,0|3,0,0]=4 328 B8R0.23 C=C(Br)C[C@@H](N)C(O)=O Amb22746251 [1,0,0,0,0,0|3,0,0]=4 329 B8R0.23 C=C(CC(=O)Cl)C(O)=O Amb25227983 [1,0,0,0,0,0|2,0,1]=4 330 B8R0.23 C=C(CC(N)=O)C(O)=O Amb24333452 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.23 C=C(CC(O)=O)C(N)=O Amb22011744 [1,0,0,0,0,0|2,0,1]=4 332 B8R0.23 C=C(Cl)CC(N)C(O)=O Amb24411473 [1,0,0,0,0,0|3,0,0]=4 333 B8R0.23 C=C(F)CC(N)C(O)=O Amb24580886 [1,0,0,0,0,0|3,0,0]=4 334 B8R0.23 C=C(I)CC(N)C(O)=O Amb25842052 [1,0,0,0,0,0|3,0,0]=4 335 B8R0.23 C=C(O)CC(O)C(O)O Amb24730260 [1,0,0,0,0,0|1,0,2]=4 336 B8R0.23 CC(=C)C(C)CC(O)=O Amb18642614 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.23 CC(=C)C(O)CC(O)=O Amb18642756 [1,0,0,0,0,0|2,0,0]=3 338 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.23 CC(=C)CC(O)C(O)=O Amb24534477 [1,0,0,0,0,0|2,0,0]=3 340 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [1,0,0,0,0,0|3,0,0]=4 341 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [1,0,0,0,0,0|3,0,0]=4 342 B8R0.23 CC(=C)C[C@@H](N)C(O)=O Amb22801689 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.23 CC(=C)C[C@H](N)C(O)=O Amb25757900 [1,0,0,0,0,0|3,0,0]=4 344 B8R0.23 CC(=C)[C@@H](O)CC(O)=O Amb25789715 [1,0,0,0,0,0|2,0,0]=3 345 B8R0.23 CC(=O)C(C)CC(O)=O Amb18292788 [1,0,0,0,0,0|2,0,0]=3 346 B8R0.23 CC(=O)C(Cl)CC(O)=O Amb24426109 [1,0,0,0,0,0|2,0,0]=3 347 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [1,0,0,0,0,0|3,0,0]=4 348 B8R0.23 CC(=O)C(O)=CC(O)=O Amb25261166 [1,0,0,0,0,0|1,0,2]=4 349 B8R0.23 CC(=O)C(O)CC(O)=O Amb25341886 [1,0,0,0,0,0|1,0,0]=2 350 B8R0.23 CC(=O)CC(=O)C(O)=O Amb18642736 [1,0,0,0,0,0|1,0,2]=4 351 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [1,0,0,0,0,0|2,0,0]=3 352 B8R0.23 CC(=O)CC(C)C(O)=S Amb24061827 [1,0,0,0,0,0|2,1,0]=4 353 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [1,0,0,0,0,0|2,0,0]=3 354 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [1,0,0,0,0,0|2,0,0]=3 355 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [1,0,0,0,0,0|1,0,0]=2 356 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [1,0,0,0,0,0|2,0,0]=3 357 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [1,0,0,0,0,0|2,0,0]=3 358 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [1,0,0,0,0,0|1,0,0]=2 359 B8R0.23 CC(=O)NC(O)C(O)=O Amb25146184 [1,0,0,0,0,0|2,0,0]=3 360 B8R0.23 CC(=O)N[C@H](C)C(O)=O Amb19944277 [1,0,0,0,0,0|3,0,0]=4 361 B8R0.23 CC(=O)OC(C)C(O)=O Amb22360672 [1,0,0,0,0,0|3,0,0]=4 362 B8R0.23 CC(=O)SC(C)C(O)=O Amb25719066 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.23 CC(=O)[C@@H](C)CC(O)=O Amb25145964 [1,0,0,0,0,0|2,0,0]=3 364 B8R0.23 CC(=O)[C@@H](N)CC(O)=O Amb25064775 [1,0,0,0,0,0|2,0,0]=3 365 B8R0.23 CC(=O)[C@H](C)CC(O)=O Amb25360184 [1,0,0,0,0,0|2,0,0]=3 366 B8R0.23 CC(=O)\C=C(\O)/C(O)=O Amb25856143 [1,0,0,0,0,0|1,0,2]=4 367 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [1,0,0,0,0,0|2,1,0]=4 368 B8R0.23 CC(C)[C@@H](O)CC(O)=O Amb25761246 [1,0,0,0,0,0|2,0,1]=4 369 B8R0.23 CC(C)[C@H](O)CC(O)=O Amb24561913 [1,0,0,0,0,0|2,0,1]=4 370 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [1,0,0,0,0,0|3,0,0]=4 371 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [1,0,0,0,0,0|2,0,1]=4 372 B8R0.23 CC(CC(O)=O)C(N)=O Amb25737942 [1,0,0,0,0,0|2,0,0]=3 373 B8R0.23 CC(CC(O)=O)S(C)=O Amb18974545 [1,0,0,0,0,0|3,0,0]=4 374 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [1,0,0,0,0,0|3,0,0]=4 375 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [1,0,0,0,0,0|3,0,0]=4 376 B8R0.23 CC(O)C(C)CC(O)=O Amb18293276 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.23 CC(O)C(O)CC(C)=O Amb25708226 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.23 CC(O)CC(N)C(O)=O Amb18642918 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.23 CC(O)CC(O)C(N)=O Amb24523077 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.23 CC(S)CC(O)C(O)=O Amb25032270 [1,0,0,0,0,0|1,1,1]=4 382 B8R0.23 CN(C)C[C@H](O)C(O)=O Amb24372674 [1,0,0,0,0,0|3,0,0]=4 383 B8R0.23 CS(=O)CC(N)C(O)=O Amb18125279 [1,0,0,0,0,0|3,0,0]=4 384 B8R0.23 CS(=O)CC(O)C(O)=O Amb24692848 [1,0,0,0,0,0|2,0,0]=3 385 B8R0.23 CS(=O)C[C@@H](C(=O)O)N Amb16232229 [1,0,0,0,0,0|3,0,0]=4 386 B8R0.23 CS(=O)C[C@@H](N)C(O)=O Amb22745418 [1,0,0,0,0,0|3,0,0]=4 387 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [1,0,0,0,0,0|1,0,0]=2 388 B8R0.23 C[C@@H](N)[C@@H](O)CC(O)=O Amb25188895 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.23 C[C@@H](O)C[C@H](N)C(O)=O Amb25162814 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.23 C[C@@H](O)[C@@H](O)CC(O)=O Amb25267600 [1,0,0,0,0,0|1,0,1]=3 391 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22168848 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22756696 [1,0,0,0,0,0|2,0,1]=4 393 B8R0.23 C[C@H](CC(N)=O)C(N)=O Amb25126983 [1,0,0,0,0,0|3,0,0]=4 394 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [1,0,0,0,0,0|2,0,0]=3 395 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [1,0,0,0,0,0|1,0,0]=2 396 B8R0.23 C[C@H](N)[C@@H](O)CC(O)=O Amb25727721 [1,0,0,0,0,0|2,0,1]=4 397 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [1,0,0,0,0,0|2,0,1]=4 398 B8R0.23 C[C@H](O)C[C@H](N)C(O)=O Amb24461394 [1,0,0,0,0,0|2,0,1]=4 399 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [1,0,0,0,0,0|3,0,0]=4 400 B8R0.23 C[S+](C)CC(O)C(O)=O Amb24373144 [1,0,0,0,0,0|3,0,0]=4 401 B8R0.23 NC(=O)C(Br)CC(N)=O Amb24373945 [1,0,0,0,0,0|3,0,0]=4 402 B8R0.23 NC(=O)C(N)CC(N)=O Amb18289248 [1,0,0,0,0,0|3,0,0]=4 403 B8R0.23 NC(=O)C(N)CC(O)=O Amb18124347 [1,0,0,0,0,0|2,0,0]=3 404 B8R0.23 NC(=O)C(O)CC(O)=O Amb25378786 [1,0,0,0,0,0|1,0,0]=2 405 B8R0.23 NC(=O)CC(=O)C(O)=O Amb25146116 [1,0,0,0,0,0|1,0,2]=4 406 B8R0.23 NC(=O)C[C@@H](C(=O)N)N Amb16183882 [1,0,0,0,0,0|3,0,0]=4 407 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [1,0,0,0,0,0|2,0,0]=3 408 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [1,0,0,0,0,0|1,0,0]=2 409 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [1,0,0,0,0,0|2,0,0]=3 410 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [1,0,0,0,0,0|2,0,0]=3 411 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [1,0,0,0,0,0|2,0,0]=3 412 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [1,0,0,0,0,0|2,0,0]=3 413 B8R0.23 NC(=O)NC(N)C(O)=O Amb24418886 [1,0,0,0,0,0|3,0,0]=4 414 B8R0.23 NC(=O)NC(O)C(O)=O Amb22350130 [1,0,0,0,0,0|2,0,0]=3 415 B8R0.23 NC(=O)NC(O)C(O)=O Amb24592607 [1,0,0,0,0,0|2,0,0]=3 416 B8R0.23 NC(=O)[C@@H](N)CC(N)=O Amb22801077 [1,0,0,0,0,0|3,0,0]=4 417 B8R0.23 NC(=O)[C@@H](N)CC(O)=O Amb19334954 [1,0,0,0,0,0|2,0,0]=3 418 B8R0.23 NC(=O)[C@@H](O)CC(N)=O Amb24435465 [1,0,0,0,0,0|2,0,0]=3 419 B8R0.23 NC(=O)[C@H](Br)CC(N)=O Amb24480049 [1,0,0,0,0,0|3,0,0]=4 420 B8R0.23 NC(=S)CC(N)C(O)=O Amb24728838 [1,0,0,0,0,0|2,1,0]=4 421 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [1,0,0,0,0,0|1,0,0]=2 422 B8R0.23 NC(CC(O)=O)C([O-])=O Amb20241398 [1,0,0,0,0,0|1,0,1]=3 423 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22167994 [1,0,0,0,0,0|1,0,1]=3 424 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22330537 [1,0,0,0,0,0|1,0,1]=3 425 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22337568 [1,0,0,0,0,0|1,0,1]=3 426 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22349433 [1,0,0,0,0,0|1,0,1]=3 427 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [1,0,0,0,0,0|1,0,0]=2 428 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [1,0,0,0,0,0|1,0,1]=3 429 B8R0.23 NC(CC([O-])=O)C([O-])=O Amb22168247 [1,0,0,0,0,0|1,0,2]=4 430 B8R0.23 NC(CS(=O)=O)C(O)=O Amb24480078 [1,0,0,0,0,0|2,0,1]=4 431 B8R0.23 NC(CS(N)=O)C(O)=O Amb25139436 [1,0,0,0,0,0|3,0,0]=4 432 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [1,0,0,0,0,0|2,0,0]=3 433 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [1,0,0,0,0,0|1,0,0]=2 434 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [1,0,0,0,0,0|1,0,0]=2 435 B8R0.23 NC(C[N+]([O-])=O)C(O)=O Amb24642660 [1,0,0,0,0,0|2,0,1]=4 436 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [1,0,0,0,0,0|1,0,0]=2 437 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [1,0,0,0,0,0|1,0,0]=2 438 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [1,0,0,0,0,0|2,0,0]=3 439 B8R0.23 N[C@@H](CB(O)O)C(O)=O Amb25844412 [1,0,0,0,0,0|2,0,1]=4 440 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb20241378 [1,0,0,0,0,0|1,0,1]=3 441 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22337725 [1,0,0,0,0,0|1,0,1]=3 442 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22352336 [1,0,0,0,0,0|1,0,1]=3 443 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22748705 [1,0,0,0,0,0|1,0,1]=3 444 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22801032 [1,0,0,0,0,0|1,0,1]=3 445 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [1,0,0,0,0,0|1,0,1]=3 446 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [1,0,0,0,0,0|1,0,1]=3 447 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17772217 [1,0,0,0,0,0|1,0,2]=4 448 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17912733 [1,0,0,0,0,0|1,0,2]=4 449 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22750690 [1,0,0,0,0,0|1,0,2]=4 450 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22757383 [1,0,0,0,0,0|1,0,2]=4 451 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [1,0,0,0,0,0|2,0,0]=3 452 B8R0.23 N[C@@H](C[N+]([O-])=O)C(O)=O Amb25710255 [1,0,0,0,0,0|2,0,1]=4 453 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [1,0,0,0,0,0|1,0,0]=2 454 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [1,0,0,0,0,0|2,0,0]=3 455 B8R0.23 N[C@H](CC(O)=O)P(O)=O Amb25838846 [1,0,0,0,0,0|2,0,0]=3 456 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [1,0,0,0,0,0|2,0,0]=3 457 B8R0.23 O=C(Cl)[C@H](Cl)CC(=O)Cl Amb24710716 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [1,0,0,0,0,0|0,1,1]=3 459 B8R0.23 OC(=O)C(Cl)CS(O)=O Amb25708099 [1,0,0,0,0,0|2,0,0]=3 460 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [1,0,0,0,0,0|1,0,0]=2 461 B8R0.23 OC(=O)C(O)C=C(Cl)Cl Amb24355502 [1,0,0,0,0,0|2,0,1]=4 462 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [1,0,0,0,0,0|0,1,0]=2 463 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [1,0,0,0,0,0|0,0,0]=1 464 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [1,0,0,0,0,0|0,1,0]=2 465 B8R0.23 OC(=O)CC(=O)C(=O)C Amb17593364 [1,0,0,0,0,0|1,0,2]=4 466 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [1,0,0,0,0,0|1,0,0]=2 467 B8R0.23 OC(=O)CC(O)C(=O)Cl Amb25700438 [1,0,0,0,0,0|1,0,0]=2 468 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [1,0,0,0,0,0|0,0,0]=1 469 B8R0.23 OC(=O)CC([N+](=O)[O-])O Amb2222216 [1,0,0,0,0,0|1,0,1]=3 470 B8R0.23 OC(=O)CN(C(=O)C)C Amb1111693 [1,0,0,0,0,0|3,0,0]=4 471 B8R0.23 OC(=O)CN(C(=O)N)C Amb2371395 [1,0,0,0,0,0|3,0,0]=4 472 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [1,0,0,0,0,0|1,0,0]=2 473 B8R0.23 OC(=O)C[C@@H]([C@@H](O)C)N Amb16184021 [1,0,0,0,0,0|2,0,1]=4 474 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [1,0,0,0,0,0|0,0,0]=1 475 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [1,0,0,0,0,0|1,0,0]=2 476 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [1,0,0,0,0,0|0,1,0]=2 477 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [1,0,0,0,0,0|1,0,0]=2 478 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [1,0,0,0,0,0|1,0,0]=2 479 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [1,0,0,0,0,0|0,1,0]=2 480 B8R0.23 OC(=O)\C(\Br)=C/C(O)=O Amb25746120 [1,0,0,0,0,0|1,0,2]=4 481 B8R0.23 OC(=O)\C(\Cl)=C/C(O)=O Amb24481892 [1,0,0,0,0,0|1,0,2]=4 482 B8R0.23 OC(=O)\C(\F)=C/C(O)=O Amb18124397 [1,0,0,0,0,0|1,0,2]=4 483 B8R0.23 OC(=O)\C(\I)=C/C(O)=O Amb25736420 [1,0,0,0,0,0|1,0,2]=4 484 B8R0.23 OC(C(C)C)CC(=O)O Amb17231878 [1,0,0,0,0,0|2,0,1]=4 485 B8R0.23 OC(CC(=O)Cl)C(=O)Cl Amb25680528 [1,0,0,0,0,0|2,0,0]=3 486 B8R0.23 OC(CC(F)F)C(O)=O Amb25274709 [1,0,0,0,0,0|2,0,1]=4 487 B8R0.23 OC(O)C[C@@H](O)C(O)=O Amb24524214 [1,0,0,0,0,0|0,0,2]=3 488 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [1,0,0,0,0,0|0,0,0]=1 489 B8R0.23 O[C@@H](CC(=O)Cl)C(=O)Cl Amb25832731 [1,0,0,0,0,0|2,0,0]=3 490 B8R0.23 O[C@H](C(=O)O)CC(C)C Amb16232074 [1,0,0,0,0,0|2,0,1]=4 491 B8R0.23 O[C@H](CC(F)F)C(O)=O Amb24641140 [1,0,0,0,0,0|2,0,1]=4 492 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [1,0,0,0,0,0|2,0,0]=3 493 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [1,0,0,0,0,0|2,0,0]=3 494 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [1,0,0,0,0,0|1,0,0]=2 495 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [1,0,0,0,0,0|1,0,0]=2 496 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [1,0,0,0,0,0|1,0,0]=2 497 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [1,0,0,0,0,0|2,0,0]=3 498 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [1,0,0,0,0,0|1,0,0]=2 499 B8R0.23 [O-]C(=O)C(O)CC([O-])=O Amb22230371 [1,0,0,0,0,0|0,0,2]=3 500 B8R0.23 [O-]C(=O)C([S-])CC([O-])=O Amb22337769 [1,0,0,0,0,0|0,1,2]=4 501 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [1,0,0,0,0,0|0,0,1]=2 502 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22351833 [1,0,0,0,0,0|0,0,2]=3 503 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22801345 [1,0,0,0,0,0|0,0,2]=3 504 B10R0.56 CC(=C)C(O)C(C)C(=O)OC Amb25380221 [0,1,0,0,0,0|3,0,0]=4 505 B10R0.56 CC(=C)[C@@H](C)[C@H](O)C(=O)OC Amb25386104 [0,1,0,0,0,0|3,0,0]=4 506 B10R0.56 CC(=C)[C@H](C)[C@H](O)C(=O)OC Amb25386105 [0,1,0,0,0,0|3,0,0]=4 507 B10R0.56 CC(=O)C(C)C(N)C(=O)OC Amb25385594 [0,1,0,0,0,0|3,0,0]=4 508 B10R0.56 CC(=O)C(O)C(C)C(=O)OC Amb24765450 [0,1,0,0,0,0|2,0,0]=3 509 B10R0.56 CC(=O)C(O)C(O)C(=O)C=O Amb18126230 [0,1,0,0,0,0|1,0,1]=3 510 B10R0.56 CC(=O)C(O)C(O)C(=O)CO Amb24766922 [0,1,0,0,0,0|1,0,0]=2 511 B10R0.56 CC(=O)C(O)C(O)C(O)C=O Amb25384019 [0,1,0,0,0,0|1,0,1]=3 512 B10R0.56 CC(=O)C(O)C(O)C(O)CO Amb25383925 [0,1,0,0,0,0|1,0,2]=4 513 B10R0.56 CC(=O)[C@@H](C)[C@H](C)C(=O)OC Amb24766906 [0,1,0,0,0,0|3,0,0]=4 514 B10R0.56 CC(=O)[C@@H](O)[C@H](O)C(=O)C=O Amb25385910 [0,1,0,0,0,0|1,0,1]=3 515 B10R0.56 CC(=O)[C@@H](O)[C@H](O)C(=O)CO Amb24766744 [0,1,0,0,0,0|1,0,0]=2 516 B10R0.56 CC(=O)[C@@H](O)[C@H](O)[C@@H](O)C=O Amb25384641 [0,1,0,0,0,0|1,0,1]=3 517 B10R0.56 CC(=O)[C@@H](O)[C@H](O)[C@@H](O)CO Amb24764921 [0,1,0,0,0,0|1,0,2]=4 518 B10R0.56 CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO Amb24766926 [0,1,0,0,0,0|1,0,2]=4 519 B10R0.56 CC(=O)[C@H](O)[C@H](O)[C@@H](O)C=O Amb25385729 [0,1,0,0,0,0|1,0,1]=3 520 B10R0.56 CC(=O)[C@H](O)[C@H](O)[C@@H](O)CO Amb24765130 [0,1,0,0,0,0|1,0,2]=4 521 B10R0.56 CC(C(C)C(=O)OC)C(O)=O Amb18126244 [0,1,0,0,0,0|2,0,0]=3 522 B10R0.56 CC(C(N)C(O)=O)C(=O)CC Amb25384577 [0,1,0,0,0,0|3,0,0]=4 523 B10R0.56 CC(C(O)C(=O)OC)[N+]([O-])=O Amb25384272 [0,1,0,0,0,0|2,0,1]=4 524 B10R0.56 CC(C(O)C(C)C=O)C(O)=O Amb25385690 [0,1,0,0,0,0|2,0,1]=4 525 B10R0.56 CC(C(O)C(C)CO)C(O)=O Amb25385688 [0,1,0,0,0,0|2,0,1]=4 526 B10R0.56 CC(C)C(O)C(O)C(=O)CO Amb25384016 [0,1,0,0,0,0|2,0,1]=4 527 B10R0.56 CC(C)[C@H](O)[C@@H](O)C(=O)CO Amb24766600 [0,1,0,0,0,0|2,0,1]=4 528 B10R0.56 CC(O)C(O)C(O)C(=O)C=O Amb25384020 [0,1,0,0,0,0|1,0,2]=4 529 B10R0.56 CC(O)C(O)C(O)C(=O)CC Amb25383926 [0,1,0,0,0,0|2,0,1]=4 530 B10R0.56 CC(O)C(O)C(O)C(=O)CO Amb25384023 [0,1,0,0,0,0|1,0,1]=3 531 B10R0.56 CC(O)C(O)C(O)[C@@H](O)C=O Amb25383551 [0,1,0,0,0,0|1,0,2]=4 532 B10R0.56 CC(O)C(O)C(O)[C@H](O)C=O Amb25385982 [0,1,0,0,0,0|1,0,2]=4 533 B10R0.56 CC(OC)C(O)C(N)C(O)=O Amb24762947 [0,1,0,0,0,0|2,0,1]=4 534 B10R0.56 CNC(=O)C(S)C(S)C(O)=O Amb24635736 [0,1,0,0,0,0|1,2,0]=4 535 B10R0.56 CNC(=O)[C@H](O)[C@@H](N)C(O)=O Amb25139365 [0,1,0,0,0,0|2,0,0]=3 536 B10R0.56 COC(=O)C(N)C(O)C(O)=O Amb25386035 [0,1,0,0,0,0|1,0,0]=2 537 B10R0.56 COC(=O)C(O)C(N)C(O)=O Amb18645752 [0,1,0,0,0,0|1,0,0]=2 538 B10R0.56 COC(=O)C(O)C(O)C(N)=O Amb25385692 [0,1,0,0,0,0|1,0,0]=2 539 B10R0.56 COC(=O)C(O)C(O)C(O)=O Amb25384902 [0,1,0,0,0,0|0,0,0]=1 540 B10R0.56 COC(=O)N(C)C(C)C(O)=O Amb18299738 [0,1,0,0,0,0|3,0,0]=4 541 B10R0.56 COC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb25386184 [0,1,0,0,0,0|0,0,0]=1 542 B10R0.56 COC(=O)[C@@H](O)[C@H](O)C(O)=O Amb24764738 [0,1,0,0,0,0|0,0,0]=1 543 B10R0.56 COC(=O)[C@@H](S)[C@@H](S)C(O)=O Amb25385027 [0,1,0,0,0,0|0,2,0]=3 544 B10R0.56 COC(=O)[C@H](O)[C@@H](O)C(O)=O Amb24763072 [0,1,0,0,0,0|0,0,0]=1 545 B10R0.56 COC(=O)[C@H](O)[C@H](O)C(O)=O Amb25384903 [0,1,0,0,0,0|0,0,0]=1 546 B10R0.56 COC(C)C(C)C(O)C(O)=O Amb25381942 [0,1,0,0,0,0|2,0,1]=4 547 B10R0.56 COC(C)C(O)C(C)C(O)=O Amb25385684 [0,1,0,0,0,0|2,0,1]=4 548 B10R0.56 CO[C@H](C)[C@@H](O)C(C)C(O)=O Amb25381513 [0,1,0,0,0,0|2,0,1]=4 549 B10R0.56 C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O Amb25385777 [0,1,0,0,0,0|1,0,2]=4 550 B10R0.56 C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O Amb25384666 [0,1,0,0,0,0|1,0,2]=4 551 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O Amb25385776 [0,1,0,0,0,0|1,0,2]=4 552 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O Amb22744734 [0,1,0,0,0,0|1,0,2]=4 553 B10R0.56 C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O Amb25384648 [0,1,0,0,0,0|1,0,2]=4 554 B10R0.56 C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C=O Amb25384636 [0,1,0,0,0,0|1,0,2]=4 555 B10R0.56 C[C@@H]([C@@H](N)C(=O)OC)C(O)=O Amb25384959 [0,1,0,0,0,0|2,0,0]=3 556 B10R0.56 C[C@@H]([C@H](O)[C@@H](C)CO)C(O)=O Amb25385250 [0,1,0,0,0,0|2,0,1]=4 557 B10R0.56 C[C@H](C(C)C(=O)OC)C(O)=O Amb25382125 [0,1,0,0,0,0|2,0,0]=3 558 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)C(=O)NO Amb25734162 [0,1,0,0,0,0|1,0,1]=3 559 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O Amb24765510 [0,1,0,0,0,0|1,0,2]=4 560 B10R0.56 C[C@H](O)[C@@H](O)[C@H](O)C(=O)CC Amb24765131 [0,1,0,0,0,0|2,0,1]=4 561 B10R0.56 C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O Amb25385990 [0,1,0,0,0,0|1,0,2]=4 562 B10R0.56 C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O Amb25385926 [0,1,0,0,0,0|1,0,2]=4 563 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)C(=O)C=O Amb24765080 [0,1,0,0,0,0|1,0,2]=4 564 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O Amb22735321 [0,1,0,0,0,0|1,0,2]=4 565 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O Amb25384753 [0,1,0,0,0,0|1,0,2]=4 566 B10R0.56 C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O Amb25384640 [0,1,0,0,0,0|1,0,2]=4 567 B10R0.56 C[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O Amb25384750 [0,1,0,0,0,0|1,0,2]=4 568 B10R0.56 C[C@H]([C@@H](C)C(=O)OC)C(O)=O Amb25382126 [0,1,0,0,0,0|2,0,0]=3 569 B10R0.56 C\C(=C/C)\[C@H](O)[C@H](C)C(O)=O Amb25858129 [0,1,0,0,0,0|3,0,0]=4 570 B10R0.56 NC(=O)C(O)C(O)C(O)CO Amb25385847 [0,1,0,0,0,0|1,0,2]=4 571 B10R0.56 NC(=O)[C@@H](O)[C@@H](O)[C@@H](O)CO Amb24766251 [0,1,0,0,0,0|1,0,2]=4 572 B10R0.56 NC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO Amb25384986 [0,1,0,0,0,0|1,0,2]=4 573 B10R0.56 NC(=O)[C@@H](O)[C@H](O)[C@H](O)C=N Amb24764765 [0,1,0,0,0,0|2,0,1]=4 574 B10R0.56 NC(=O)[C@H](O)[C@@H](O)C(=O)NO Amb24554069 [0,1,0,0,0,0|1,0,0]=2 575 B10R0.56 NC(=O)[C@H](O)[C@@H](O)[C@H](O)CO Amb25384988 [0,1,0,0,0,0|1,0,2]=4 576 B10R0.56 NC(C(O)C(O)=O)C(=O)NO Amb25137237 [0,1,0,0,0,0|1,0,0]=2 577 B10R0.56 NC(C(O)C(O)CO)C(O)=O Amb25386025 [0,1,0,0,0,0|1,0,2]=4 578 B10R0.56 NCC(O)C(O)C(O)C(N)=O Amb24766402 [0,1,0,0,0,0|2,0,1]=4 579 B10R0.56 NC[C@@H](O)[C@@H](O)[C@H](O)C(N)=O Amb25385057 [0,1,0,0,0,0|2,0,1]=4 580 B10R0.56 NC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O Amb25385021 [0,1,0,0,0,0|1,0,1]=3 581 B10R0.56 NC[C@@H](O)[C@H](O)[C@@H](O)C(N)=O Amb25385058 [0,1,0,0,0,0|2,0,1]=4 582 B10R0.56 NC[C@@H](O)[C@H](O)[C@@H](O)C(O)=O Amb25385020 [0,1,0,0,0,0|1,0,1]=3 583 B10R0.56 N[C@@H]([C@@H](O)[C@H](O)CBr)C(O)=O Amb24765482 [0,1,0,0,0,0|2,0,1]=4 584 B10R0.56 N[C@H]([C@@H](O)[C@@H](O)CO)C(O)=O Amb25385164 [0,1,0,0,0,0|1,0,2]=4 585 B10R0.56 N[C@H]([C@H](O)C(O)=O)C(=O)NO Amb25320870 [0,1,0,0,0,0|1,0,0]=2 586 B10R0.56 N[C@H]([C@H](O)[C@H](O)CO)C(O)=O Amb25384850 [0,1,0,0,0,0|1,0,2]=4 587 B10R0.56 O=C[C@@H]([C@H]([C@H]([C@H](O)C)O)O)O Amb10807467 [0,1,0,0,0,0|1,0,2]=4 588 B10R0.56 OC(=O)C(O)=C(O)C(=O)CO Amb24692818 [0,1,0,0,0,0|0,0,2]=3 589 B10R0.56 OC(=O)C(O)C(O)C(=O)CO Amb25386045 [0,1,0,0,0,0|0,0,0]=1 590 B10R0.56 OC(=O)[C@H](O)[C@H](O)C(=O)CO Amb25384320 [0,1,0,0,0,0|0,0,0]=1 591 B10R0.56 OC(C=O)C(O)C(O)C(O)=O Amb25386026 [0,1,0,0,0,0|0,0,1]=2 592 B10R0.56 OCC(C(C(C(=O)[O-])O)O)O Amb17616625 [0,1,0,0,0,0|0,0,3]=4 593 B10R0.56 OCC(O)C(O)C(O)C(O)=O Amb17939854 [0,1,0,0,0,0|0,0,2]=3 594 B10R0.56 OC[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O Amb25379509 [0,1,0,0,0,0|0,0,2]=3 595 B10R0.56 OC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O Amb22233142 [0,1,0,0,0,0|0,0,2]=3 596 B10R0.56 OC[C@@H](O)[C@H](O)[C@@H](O)C(O)=O Amb22746788 [0,1,0,0,0,0|0,0,2]=3 597 B10R0.56 OC[C@H](O)[C@@H](O)[C@H](O)C(O)=O Amb25386283 [0,1,0,0,0,0|0,0,2]=3 598 B10R0.56 OC[C@H](O)[C@H](O)[C@@H](O)C(O)=O Amb24764799 [0,1,0,0,0,0|0,0,2]=3 599 B10R0.56 OC[C@H]([C@@H]([C@H](C(=O)O)O)O)O Amb17621325 [0,1,0,0,0,0|0,0,2]=3 600 B10R0.56 OC[C@H]([C@H]([C@@H](C(=O)O)O)O)O Amb17610431 [0,1,0,0,0,0|0,0,2]=3 601 B10R0.56 O[C@@H](C=O)[C@H](O)[C@H](O)C(O)=O Amb25382134 [0,1,0,0,0,0|0,0,1]=2 602 B10R0.56 O[C@H](C=O)[C@@H](O)[C@H](O)C(O)=O Amb25384908 [0,1,0,0,0,0|0,0,1]=2 603 B10R0.56 O[C@H](C=O)[C@H](O)[C@H](O)C(O)=O Amb25386191 [0,1,0,0,0,0|0,0,1]=2 604 B10R0.56 [O-]C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO Amb22800987 [0,1,0,0,0,0|0,0,3]=4 605 B10R0.56 [O-]C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO Amb22801442 [0,1,0,0,0,0|0,0,3]=4 606 B10R0.56 [O-]C(=O)[C@@H](O)[C@H](O)[C@H](O)CO Amb24103371 [0,1,0,0,0,0|0,0,3]=4 607 B10R0.76 CC(=O)C(C)C(CC)C(O)=O Amb25385211 [0,1,0,0,0,0|3,0,0]=4 608 B10R0.76 CC(=O)N(O)C(CC)C(O)=O Amb24106730 [0,1,0,0,0,0|3,0,0]=4 609 B10R0.76 CC(C(C#N)C(O)=O)C(O)=O Amb18126038 [0,1,0,0,0,0|2,0,0]=3 610 B10R0.76 CC(C(CC)C(O)=O)C(O)=O Amb18645266 [0,1,0,0,0,0|2,0,0]=3 611 B10R0.76 CC(C)C(O)C(OC)C(O)=O Amb25385837 [0,1,0,0,0,0|2,0,1]=4 612 B10R0.76 CC(O)C(OC)C(N)C(O)=O Amb25384572 [0,1,0,0,0,0|2,0,1]=4 613 B10R0.76 CC(O)C(OC)C(O)C(O)=O Amb25384571 [0,1,0,0,0,0|1,0,1]=3 614 B10R0.76 CCC(C(=C)C(O)=O)C(O)=O Amb18644986 [0,1,0,0,0,0|2,0,1]=4 615 B10R0.76 CCC(C(N)C(O)=O)C(O)=O Amb18126279 [0,1,0,0,0,0|2,0,0]=3 616 B10R0.76 CCC(C(O)C(O)=O)C(O)=O Amb25386294 [0,1,0,0,0,0|1,0,0]=2 617 B10R0.76 CC[C@@H]([C@@H](N)C(O)=O)C(O)=O Amb25384074 [0,1,0,0,0,0|2,0,0]=3 618 B10R0.76 CC[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb25384853 [0,1,0,0,0,0|1,0,0]=2 619 B10R0.76 CC[C@@H]([C@H](N)C(O)=O)C(O)=O Amb25384854 [0,1,0,0,0,0|2,0,0]=3 620 B10R0.76 CC[C@@H]([C@H](O)C(O)=O)C(O)=O Amb25386189 [0,1,0,0,0,0|1,0,0]=2 621 B10R0.76 CC[C@H]([C@@H](N)C(O)=O)C(O)=O Amb25384075 [0,1,0,0,0,0|2,0,0]=3 622 B10R0.76 CC[C@H]([C@H](O)C(O)=O)C(O)=O Amb25386188 [0,1,0,0,0,0|1,0,0]=2 623 B10R0.76 CNC(C(F)C(O)=O)C(O)=O Amb25385881 [0,1,0,0,0,0|2,0,0]=3 624 B10R0.76 CNC(C(O)C(O)=O)C(O)=O Amb25384603 [0,1,0,0,0,0|1,0,0]=2 625 B10R0.76 CN[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb25385032 [0,1,0,0,0,0|1,0,0]=2 626 B10R0.76 CN[C@@H]([C@H](F)C(O)=O)C(O)=O Amb25385879 [0,1,0,0,0,0|2,0,0]=3 627 B10R0.76 CN[C@H]([C@@H](F)C(O)=O)C(O)=O Amb25385880 [0,1,0,0,0,0|2,0,0]=3 628 B10R0.76 COC(C(O)C(O)=O)C(O)=O Amb18126399 [0,1,0,0,0,0|0,0,0]=1 629 B10R0.76 CO[C@@H]([C@@H](O)C(N)=O)C(N)=O Amb24766223 [0,1,0,0,0,0|2,0,0]=3 630 B10R0.76 CO[C@@H]([C@H](O)C(N)=O)C(N)=O Amb24766225 [0,1,0,0,0,0|2,0,0]=3 631 B10R0.76 CO[C@H]([C@@H](O)C(N)=O)C(N)=O Amb24766255 [0,1,0,0,0,0|2,0,0]=3 632 B10R0.76 CO[C@H]([C@H](O)C(N)=O)C(N)=O Amb24766224 [0,1,0,0,0,0|2,0,0]=3 633 B10R0.76 CSC(C(O)C(O)=O)C(O)=O Amb25384602 [0,1,0,0,0,0|0,1,0]=2 634 B10R0.76 CSC([C@H](N)C(O)=O)C(O)=O Amb25385026 [0,1,0,0,0,0|1,1,0]=3 635 B10R0.76 CS[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb25385031 [0,1,0,0,0,0|0,1,0]=2 636 B10R0.76 C[C@@H]([C@H](NC)C(O)=O)C(O)=O Amb25385166 [0,1,0,0,0,0|2,0,0]=3 637 B10R0.76 C[C@@H]([C@H](NO)C(O)=O)C(O)=O Amb25384961 [0,1,0,0,0,0|1,0,0]=2 638 B10R0.76 C[C@H](C(C#N)C(O)=O)C(O)=O Amb24533567 [0,1,0,0,0,0|2,0,0]=3 639 B10R0.76 C\C=C(\C(C)C(O)=O)/C(O)=O Amb24487821 [0,1,0,0,0,0|2,0,1]=4 640 B10R0.76 C\C=C(\C(O)C(O)=O)/C(O)=O Amb25125245 [0,1,0,0,0,0|1,0,1]=3 641 B10R0.76 C\C=C(\[C@@H](O)C(O)=O)/C(O)=O Amb25237640 [0,1,0,0,0,0|1,0,1]=3 642 B10R0.76 NC(C(CN)C(O)=O)C(O)=O Amb25385681 [0,1,0,0,0,0|2,0,0]=3 643 B10R0.76 NCC(C(O)C(O)=O)C(O)=O Amb23596978 [0,1,0,0,0,0|1,0,0]=2 644 B10R0.76 NNC(C(Cl)C(O)=O)C(O)=O Amb25384583 [0,1,0,0,0,0|2,0,0]=3 645 B10R0.76 N[C@@H](C(CN)C(O)=O)C(O)=O Amb25384089 [0,1,0,0,0,0|2,0,0]=3 646 B10R0.76 N[C@@H](C(CO)C(O)=O)C(O)=O Amb25384088 [0,1,0,0,0,0|1,0,0]=2 647 B10R0.117 CC(=O)C(C)(C)C(C)C(O)=O Amb25216922 [0,1,0,0,0,0|3,0,0]=4 648 B10R0.117 CC(=O)C(C)C(C)(O)C(O)=O Amb24513741 [0,1,0,0,0,0|2,0,0]=3 649 B10R0.117 CC(C(O)=O)C(C)(C)C(N)=O Amb24366530 [0,1,0,0,0,0|3,0,0]=4 650 B10R0.117 CC(C(O)=O)C(C)(C)C(O)=O Amb18126238 [0,1,0,0,0,0|2,0,0]=3 651 B10R0.117 CC(C(O)=O)C(C)(O)C(O)=O Amb18126313 [0,1,0,0,0,0|1,0,0]=2 652 B10R0.117 CC(C)(C(Br)C(O)=O)C(O)=O Amb25089525 [0,1,0,0,0,0|2,0,0]=3 653 B10R0.117 CC(C)(C(Cl)C(O)=O)C(O)=O Amb24426116 [0,1,0,0,0,0|2,0,0]=3 654 B10R0.117 CC(C)(C(N)C(O)=O)S(O)=O Amb24487834 [0,1,0,0,0,0|3,0,0]=4 655 B10R0.117 CC(C)(C(O)C(O)=O)C(O)=O Amb18126316 [0,1,0,0,0,0|1,0,0]=2 656 B10R0.117 CC(C)([C@@H](N)C(O)=O)S(O)=O Amb24080020 [0,1,0,0,0,0|3,0,0]=4 657 B10R0.117 CC(C)([C@@H](O)C(O)=O)C(O)=O Amb25737704 [0,1,0,0,0,0|1,0,0]=2 658 B10R0.117 CC(Cl)(C(O)C(O)=O)C(O)=O Amb24373174 [0,1,0,0,0,0|1,0,0]=2 659 B10R0.117 CC(N)(C(O)C(O)=O)C(O)=O Amb24443031 [0,1,0,0,0,0|1,0,0]=2 660 B10R0.117 CC(O)(C(Cl)C(O)=O)C(O)=O Amb25362209 [0,1,0,0,0,0|1,0,0]=2 661 B10R0.117 CC(O)(C(O)C(O)=O)C(O)=O Amb24390843 [0,1,0,0,0,0|0,0,0]=1 662 B10R0.117 C[C@@](O)([C@H](N)C(O)=O)C(O)=O Amb24621926 [0,1,0,0,0,0|1,0,0]=2 663 B10R0.117 C[C@H](C(O)=O)C(C)(C)C(O)=O Amb25765664 [0,1,0,0,0,0|2,0,0]=3 664 B10R0.117 C[C@](O)([C@@H](O)C(O)=O)C(O)=O Amb25060701 [0,1,0,0,0,0|0,0,0]=1 665 B10R0.117 NC(=O)C(F)(F)C(N)C(O)=O Amb24739799 [0,1,0,0,0,0|3,0,0]=4 666 B10R0.117 NC(C(O)=O)C(F)(F)C(O)=O Amb24558165 [0,1,0,0,0,0|2,0,0]=3 667 B10R0.117 OC(=O)C(F)(F)C(F)C(O)=O Amb19887297 [0,1,0,0,0,0|2,0,0]=3 668 B10R0.117 O[C@@H](C(O)=O)C(F)(F)C(O)=O Amb25060758 [0,1,0,0,0,0|1,0,0]=2 669 B10R0.154 N[C@H]([C@@H](N)C(O)=O)P(O)(O)=O Amb24701606 [0,1,0,0,0,0|3,0,0]=4 670 B10R0.154 OC(=O)[C@@H](O)[C@@H](O)C(F)(F)F Amb24455841 [0,1,0,0,0,0|2,0,1]=4 671 B10R0.154 OC(=O)[C@H](O)[C@@H](O)C(F)(F)F Amb24643253 [0,1,0,0,0,0|2,0,1]=4 672 B10R1.116 OC(=O)[C@@H](O)[C@H]1CCC1=O Amb24615393 [0,0,0,1,0,0|2,0,0]=3 673 B10R1.116 OC(=O)[C@H](O)[C@@H]1CCC1=O Amb25246299 [0,0,0,1,0,0|2,0,0]=3 674 B10R1.119 C=C1OCC(O)C(O)C1O Amb25344712 [0,0,0,1,0,0|2,0,1]=4 675 B10R1.119 C=C1OC[C@@H](O)[C@@H](O)[C@@H]1O Amb25343913 [0,0,0,1,0,0|2,0,1]=4 676 B10R1.119 CC1OCC(=O)C(O)C1O Amb24378428 [0,0,0,1,0,0|2,0,1]=4 677 B10R1.119 C[C@@H]1OCC(=O)[C@H](O)[C@H]1O Amb25179484 [0,0,0,1,0,0|2,0,1]=4 678 B10R1.119 N[C@H]1[C@H](O)[C@@H](O)COC1=O Amb24598514 [0,0,0,1,0,0|2,0,1]=4 679 B10R1.119 OC1C(=O)OCC(=O)C1=O Amb25146782 [0,0,0,1,0,0|1,0,2]=4 680 B10R1.119 OC1C(O)C(=O)C=CC1=O Amb25205223 [0,0,0,1,0,0|2,0,0]=3 681 B10R1.119 OC1C=CC(=O)C(O)C1O Amb25145496 [0,0,0,1,0,0|2,0,1]=4 682 B10R1.119 OC1CCC(=O)C(O)C1O Amb24468189 [0,0,0,1,0,0|2,0,1]=4 683 B10R1.119 OC1CNC(=O)C(O)C1O Amb24652914 [0,0,0,1,0,0|2,0,1]=4 684 B10R1.119 OC1COC(=O)C(O)C1O Amb25714453 [0,0,0,1,0,0|1,0,1]=3 685 B10R1.119 O[C@@H]1CCC(=O)[C@H](O)[C@H]1O Amb24553809 [0,0,0,1,0,0|2,0,1]=4 686 B10R1.119 O[C@@H]1CNC(=O)[C@@H](O)[C@@H]1O Amb24514901 [0,0,0,1,0,0|2,0,1]=4 687 B10R1.119 O[C@@H]1[C@H](O)C(=O)C=CC1=O Amb24478143 [0,0,0,1,0,0|2,0,0]=3 688 B10R1.119 O[C@H]1C=CC(=O)[C@@H](O)[C@@H]1O Amb25371766 [0,0,0,1,0,0|2,0,1]=4 689 B10R1.119 O[C@H]1CCC(=O)[C@@H](O)[C@@H]1O Amb25359890 [0,0,0,1,0,0|2,0,1]=4 690 B10R1.119 O[C@H]1CNC(=O)[C@H](O)[C@@H]1O Amb25238747 [0,0,0,1,0,0|2,0,1]=4 691 B10R1.194 C=C1C(COC1=O)C(O)=O Amb18643787 [0,0,0,1,0,0|2,0,1]=4 692 B10R1.194 CC(=C)C1COC(=O)C1O Amb24404727 [0,0,0,1,0,0|3,0,0]=4 693 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@@H]1C Amb18202639 [0,0,0,1,0,0|3,0,0]=4 694 B10R1.194 CC(=O)[C@H]1COC(=O)[C@@H]1C Amb25273006 [0,0,0,1,0,0|3,0,0]=4 695 B10R1.194 CC1C(CCC1=O)C(O)=O Amb18643836 [0,0,0,1,0,0|3,0,0]=4 696 B10R1.194 CC1C(NCC1=O)C(O)=O Amb25054606 [0,0,0,1,0,0|3,0,0]=4 697 B10R1.194 CC1C(OCC1O)C(O)=O Amb25738059 [0,0,0,1,0,0|2,0,1]=4 698 B10R1.194 CC1[C@H](CCC1=O)C(O)=O Amb24538053 [0,0,0,1,0,0|3,0,0]=4 699 B10R1.194 CN1C(COC1=O)C(O)=O Amb25800781 [0,0,0,1,0,0|3,0,0]=4 700 B10R1.194 C[C@@H]1[C@@H](COC1=O)C(O)=O Amb25174801 [0,0,0,1,0,0|2,0,0]=3 701 B10R1.194 C[C@@H]1[C@H](C=CC1=O)C(O)=O Amb24514916 [0,0,0,1,0,0|3,0,0]=4 702 B10R1.194 C[C@@H]1[C@H](NCC1=O)C(O)=O Amb18831599 [0,0,0,1,0,0|3,0,0]=4 703 B10R1.194 C[C@H]1C(OC[C@H]1O)C(O)=O Amb25278272 [0,0,0,1,0,0|2,0,1]=4 704 B10R1.194 C[C@H]1[C@H](COC1=O)C(O)=O Amb24562397 [0,0,0,1,0,0|2,0,0]=3 705 B10R1.194 NC(=O)C1OCC(O)C1O Amb24375304 [0,0,0,1,0,0|2,0,1]=4 706 B10R1.194 NC(=O)C1ONC(=O)C1N Amb25061967 [0,0,0,1,0,0|3,0,0]=4 707 B10R1.194 NC(=O)[C@@H]1OC[C@@H](O)[C@H]1O Amb24683290 [0,0,0,1,0,0|2,0,1]=4 708 B10R1.194 NC(=O)[C@H]1ONC(=O)[C@@H]1N Amb24650462 [0,0,0,1,0,0|3,0,0]=4 709 B10R1.194 NC1C(CNC1=O)C(O)=O Amb25683449 [0,0,0,1,0,0|3,0,0]=4 710 B10R1.194 NC1C(COC1=O)C(O)=O Amb25147505 [0,0,0,1,0,0|2,0,0]=3 711 B10R1.194 NC1C(ONC1=O)C(O)=O Amb25857733 [0,0,0,1,0,0|2,0,0]=3 712 B10R1.194 N[C@@H]1[C@H](CNC1=O)C(O)=O Amb25230623 [0,0,0,1,0,0|3,0,0]=4 713 B10R1.194 OC(=O)C1=NNC(=O)C1O Amb24586588 [0,0,0,1,0,0|2,0,1]=4 714 B10R1.194 OC1C(NCC1O)C(O)=O Amb24120646 [0,0,0,1,0,0|2,0,1]=4 715 B10R1.194 OC1CCC(C1O)C(O)=O Amb24480401 [0,0,0,1,0,0|2,0,1]=4 716 B10R1.194 O[C@@H]1C(NC[C@H]1O)C(O)=O Amb24515069 [0,0,0,1,0,0|2,0,1]=4 717 B10R1.194 O[C@@H]1CC[C@@H]([C@H]1O)C(O)=O Amb24655021 [0,0,0,1,0,0|2,0,1]=4 718 B10R1.194 O[C@@H]1[C@@H](NC[C@@H]1O)C(O)=O Amb24605220 [0,0,0,1,0,0|2,0,1]=4 719 B10R1.194 O[C@@H]1[C@H](NC[C@@H]1O)C(O)=O Amb24120647 [0,0,0,1,0,0|2,0,1]=4 720 B10R1.194 O[C@H]1[C@@H](NC[C@@H]1O)C(O)=O Amb25259269 [0,0,0,1,0,0|2,0,1]=4 721 B10R1.194 O[C@H]1[C@@H](NC[C@H]1O)C(O)=O Amb24546981 [0,0,0,1,0,0|2,0,1]=4 722 B10R1.194 [O-]C(=O)C1OCC(O)C1O Amb24705667 [0,0,0,1,0,0|1,0,2]=4 723 B10R1.194 [O-]C(=O)[C@@H]1OC[C@@H](O)[C@H]1O Amb24705947 [0,0,0,1,0,0|1,0,2]=4 724 B10R1.278 NC(=O)C(O)C(O)C1CO1 Amb25040012 [0,0,0,1,0,0|2,0,1]=4 725 B10R1.278 NC(=O)[C@@H](O)[C@H](O)[C@H]1CO1 Amb25368321 [0,0,0,1,0,0|2,0,1]=4 726 B10R1.278 [O-]C(=O)C(O)C(O)C1CO1 Amb24705644 [0,0,0,1,0,0|1,0,2]=4 727 B10R1.360 CC(=O)C1(C)CC1C(O)=O Amb25771095 [0,0,0,1,0,0|3,0,0]=4 728 B10R1.360 CC(=O)[C@]1(Br)C[C@@H]1C(O)=O Amb24648199 [0,0,0,1,0,0|3,0,0]=4 729 B10R1.360 C[C@]1(C[C@@H]1C(O)=O)C(O)=O Amb24598825 [0,0,0,1,0,0|2,0,0]=3 730 B10R1.360 C[C@]1(C[C@H]1C(O)=O)C(O)=O Amb25231202 [0,0,0,1,0,0|2,0,0]=3 731 B10R1.360 C[C@]1(O[C@@H]1C(O)=O)C(O)=O Amb25340526 [0,0,0,1,0,0|1,0,0]=2 732 B10R1.360 NC1(CC1C(O)=O)C(O)=O Amb25124900 [0,0,0,1,0,0|2,0,0]=3 733 B10R1.360 N[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb23452842 [0,0,0,1,0,0|2,0,0]=3 734 B10R1.360 N[C@@]1(C[C@H]1C(O)=O)C(O)=O Amb23452828 [0,0,0,1,0,0|2,0,0]=3 735 B10R1.360 N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24515142 [0,0,0,1,0,0|2,0,0]=3 736 B10R1.360 OC(=O)[C@@]1(Br)C[C@@H]1C(O)=O Amb24748251 [0,0,0,1,0,0|2,0,0]=3 737 B10R1.360 OC(=O)[C@@]1(Cl)C[C@H]1C(O)=O Amb25258365 [0,0,0,1,0,0|2,0,0]=3 738 B10R1.360 OC(=O)[C@]1(Cl)C[C@H]1C(O)=O Amb25179268 [0,0,0,1,0,0|2,0,0]=3 739 B10R1.361 CC(=O)C1CCC1C(O)=O Amb25054556 [0,0,0,1,0,0|3,0,0]=4 740 B10R1.361 CC(=O)[C@@H]1CC[C@@H]1C(O)=O Amb24514837 [0,0,0,1,0,0|3,0,0]=4 741 B10R1.361 CC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24671300 [0,0,0,1,0,0|3,0,0]=4 742 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24366239 [0,0,0,1,0,0|3,0,0]=4 743 B10R1.361 NC(=O)[C@H]1CC[C@@H]1C(O)=O Amb24548230 [0,0,0,1,0,0|3,0,0]=4 744 B10R1.361 OC(=O)C1CCC1C(=O)Cl Amb24753887 [0,0,0,1,0,0|3,0,0]=4 745 B10R1.361 OC(=O)C1CCC1C(O)=O Amb19373431 [0,0,0,1,0,0|2,0,0]=3 746 B10R1.361 OC(=O)C1CNC1C(O)=O Amb24088246 [0,0,0,1,0,0|2,0,0]=3 747 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)Cl Amb25726019 [0,0,0,1,0,0|3,0,0]=4 748 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb16230761 [0,0,0,1,0,0|2,0,0]=3 749 B10R1.361 OC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24182065 [0,0,0,1,0,0|2,0,0]=3 750 B10R1.361 OC(=O)[C@H]1CC[C@@H]1C(O)=O Amb25267014 [0,0,0,1,0,0|2,0,0]=3 751 B10R1.361 OC(=O)[C@H]1CN[C@@H]1C(O)=O Amb25225066 [0,0,0,1,0,0|2,0,0]=3 752 B10R1.361 OC(=O)[C@H]1CN[C@H]1C(O)=O Amb24657216 [0,0,0,1,0,0|2,0,0]=3 753 B10R0.13 CC(=O)C(C)C(C)CC(O)=O Amb18645031 [0,0,0,0,0,1|3,0,0]=4 754 B10R0.13 CC(=O)CC(C)C(C)C(O)=O Amb18126130 [0,0,0,0,0,1|3,0,0]=4 755 B10R0.13 CC(=O)NC(C)C(O)C(O)=O Amb25689384 [0,0,0,0,0,1|2,0,0]=3 756 B10R0.13 CC(=O)OC(C)C(N)C(O)=O Amb25385009 [0,0,0,0,0,1|3,0,0]=4 757 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(O)=O Amb22747815 [0,0,0,0,0,1|3,0,0]=4 758 B10R0.13 CC(=O)O[C@H](C)[C@H](C)C(O)=O Amb25384861 [0,0,0,0,0,1|3,0,0]=4 759 B10R0.13 CC(C(O)=O)N(C)CC(O)=O Amb24751154 [0,0,0,0,0,1|3,0,0]=4 760 B10R0.13 CC(C)C(O)C(O)CC(O)=O Amb25385137 [0,0,0,0,0,1|2,0,1]=4 761 B10R0.13 CC(CC(O)=O)C(=O)C(O)=O Amb25386314 [0,0,0,0,0,1|1,0,2]=4 762 B10R0.13 CC(CC(O)=O)C(N)C(O)=O Amb23440872 [0,0,0,0,0,1|2,0,0]=3 763 B10R0.13 CC(NC(N)=O)C(C)C(O)=O Amb24692783 [0,0,0,0,0,1|3,0,0]=4 764 B10R0.13 CC(O)CC(N)C(O)C(O)=O Amb25384591 [0,0,0,0,0,1|2,0,1]=4 765 B10R0.13 C[C@@H](CC(O)=O)[C@@H](N)C(O)=O Amb19133152 [0,0,0,0,0,1|2,0,0]=3 766 B10R0.13 C[C@@H](CC(O)=O)[C@H](N)C(O)=O Amb19133150 [0,0,0,0,0,1|2,0,0]=3 767 B10R0.13 C[C@H](CC(O)=O)C(=O)C(O)=O Amb25385022 [0,0,0,0,0,1|1,0,2]=4 768 B10R0.13 C[C@H](NC(N)=O)[C@@H](C)C(O)=O Amb25363206 [0,0,0,0,0,1|3,0,0]=4 769 B10R0.13 C[C@H](NC(N)=O)[C@H](C)C(O)=O Amb25138793 [0,0,0,0,0,1|3,0,0]=4 770 B10R0.13 C[C@H](O)C[C@@H](N)[C@H](O)C(O)=O Amb25382155 [0,0,0,0,0,1|2,0,1]=4 771 B10R0.13 C[C@H](O)C[C@@H](O)[C@@H](O)C(N)=O Amb24764524 [0,0,0,0,0,1|2,0,1]=4 772 B10R0.13 C[C@H](O)C[C@@H](O)[C@H](O)C(N)=O Amb25380509 [0,0,0,0,0,1|2,0,1]=4 773 B10R0.13 C[C@H](O)C[C@H](O)[C@@H](O)C(O)=O Amb25385175 [0,0,0,0,0,1|1,0,1]=3 774 B10R0.13 C[C@H](O)C[C@H](O)[C@H](O)C(O)=O Amb25385154 [0,0,0,0,0,1|1,0,1]=3 775 B10R0.13 NC(=O)C(N)C(O)CC(O)=O Amb25384597 [0,0,0,0,0,1|2,0,0]=3 776 B10R0.13 NC(=O)[C@@H](O)[C@@H](O)CC(N)=O Amb24766252 [0,0,0,0,0,1|2,0,0]=3 777 B10R0.13 NC(=O)[C@@H](O)[C@H](O)CC(N)=O Amb24766222 [0,0,0,0,0,1|2,0,0]=3 778 B10R0.13 NC(C(Cl)=CC(O)=O)C(O)=O Amb24374819 [0,0,0,0,0,1|2,0,1]=4 779 B10R0.13 NC(C(O)CC(O)=O)C(O)=O Amb25383245 [0,0,0,0,0,1|1,0,0]=2 780 B10R0.13 NC(CC(O)=O)C(N)C(O)=O Amb25386391 [0,0,0,0,0,1|2,0,0]=3 781 B10R0.13 NC(CC(O)=O)[C@H](N)C(O)=O Amb24764806 [0,0,0,0,0,1|2,0,0]=3 782 B10R0.13 N[C@@H](C(Cl)=CC(O)=O)C(O)=O Amb24758200 [0,0,0,0,0,1|2,0,1]=4 783 B10R0.13 N[C@@H](C(Cl)CC(O)=O)C(O)=O Amb24764556 [0,0,0,0,0,1|2,0,0]=3 784 B10R0.13 N[C@@H](C(O)CC(O)=O)C(O)=O Amb22746926 [0,0,0,0,0,1|1,0,0]=2 785 B10R0.13 N[C@@H]([C@@H](Cl)CC(O)=O)C(O)=O Amb25386256 [0,0,0,0,0,1|2,0,0]=3 786 B10R0.13 N[C@@H]([C@@H](F)CC(O)=O)C(O)=O Amb25386225 [0,0,0,0,0,1|2,0,0]=3 787 B10R0.13 N[C@@H]([C@H](F)CC(O)=O)C(O)=O Amb25386224 [0,0,0,0,0,1|2,0,0]=3 788 B10R0.13 N[C@H](C(F)CC(O)=O)C(O)=O Amb25383802 [0,0,0,0,0,1|2,0,0]=3 789 B10R0.13 N[C@H](\C(\Cl)=C\C(O)=O)C(O)=O Amb24688393 [0,0,0,0,0,1|2,0,1]=4 790 B10R0.13 OC(=O)C[C@@H]([C@H](C(=O)O)N)C Amb17617452 [0,0,0,0,0,1|2,0,0]=3 791 B10R0.13 OC(=O)C[C@H]([C@@H](C(=O)O)N)C Amb17617455 [0,0,0,0,0,1|2,0,0]=3 792 B10R0.13 OC(=O)[C@@H](O)[C@@H](O)CC(O)=O Amb25386187 [0,0,0,0,0,1|0,0,0]=1 793 B10R0.13 OC(=O)[C@@H](O)[C@H](O)CC(O)=O Amb25386186 [0,0,0,0,0,1|0,0,0]=1 794 B10R0.13 OC(CC(O)=O)C(Cl)C(O)=O Amb25386324 [0,0,0,0,0,1|1,0,0]=2 795 B10R0.93 BrC(C(=O)O)CC(C(=O)O)Br Amb17621581 [0,0,0,0,0,1|2,0,0]=3 796 B10R0.93 C=C(CC(N)C(O)=O)C(O)=O Amb18126175 [0,0,0,0,0,1|2,0,1]=4 797 B10R0.93 CC(=O)C(N)CC(C)C(O)=O Amb24765255 [0,0,0,0,0,1|3,0,0]=4 798 B10R0.93 CC(=O)C(O)\C=C(/C)\C(O)=O Amb24433897 [0,0,0,0,0,1|2,0,1]=4 799 B10R0.93 CC(=O)C(O)\C=C(\C)/C(O)=O Amb24563377 [0,0,0,0,0,1|2,0,1]=4 800 B10R0.93 CC(=O)[C@@H](N)C[C@@H](C)C(O)=O Amb25384326 [0,0,0,0,0,1|3,0,0]=4 801 B10R0.93 CC(C(=O)O)CC(=C)C(=O)O Amb10844068 [0,0,0,0,0,1|2,0,1]=4 802 B10R0.93 CC(C(=O)O)SC(C(=O)O)C Amb17501619 [0,0,0,0,0,1|2,0,0]=3 803 B10R0.93 CC(CC(C)C(O)=O)C(N)=O Amb25383441 [0,0,0,0,0,1|3,0,0]=4 804 B10R0.93 CC(CC(Cl)C(O)=O)C(O)=O Amb25386325 [0,0,0,0,0,1|2,0,0]=3 805 B10R0.93 CC(CC(N)C(O)=O)C(O)=O Amb23440871 [0,0,0,0,0,1|2,0,0]=3 806 B10R0.93 CC(C[C@H](N)C(O)=O)C(N)=O Amb25386389 [0,0,0,0,0,1|3,0,0]=4 807 B10R0.93 CC(NC(=O)C(O)=O)C(O)=O Amb25108452 [0,0,0,0,0,1|1,0,2]=4 808 B10R0.93 CC(NC(C)C(O)=O)C(O)=O Amb18126275 [0,0,0,0,0,1|2,0,0]=3 809 B10R0.93 CC(O)C(O)\C=C(\O)/C(O)=O Amb25690308 [0,0,0,0,0,1|1,0,2]=4 810 B10R0.93 C[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb19133151 [0,0,0,0,0,1|2,0,0]=3 811 B10R0.93 C[C@@H](NC(=O)C(O)=O)C(O)=O Amb19893389 [0,0,0,0,0,1|1,0,2]=4 812 B10R0.93 C[C@@H](N[C@H](C)C(O)=O)C(O)=O Amb25384906 [0,0,0,0,0,1|2,0,0]=3 813 B10R0.93 C[C@@H](O)[C@H](O)C[C@@H](N)C(O)=O Amb25382130 [0,0,0,0,0,1|2,0,1]=4 814 B10R0.93 C[C@@H](O[C@H](C)C(O)=O)C(O)=O Amb25386293 [0,0,0,0,0,1|2,0,0]=3 815 B10R0.93 C[C@H](NC(=O)C(O)=O)C(O)=O Amb19893397 [0,0,0,0,0,1|1,0,2]=4 816 B10R0.93 C[C@H](N[C@H](C)C(O)=O)C(N)=O Amb25384905 [0,0,0,0,0,1|3,0,0]=4 817 B10R0.93 C[C@H](N[C@H](C)C(O)=O)C(O)=O Amb25382979 [0,0,0,0,0,1|2,0,0]=3 818 B10R0.93 C[C@H](O)[C@@H](O)C[C@H](N)C(O)=O Amb25382131 [0,0,0,0,0,1|2,0,1]=4 819 B10R0.93 C[C@H](O)[C@H](O)C[C@@H](N)C(O)=O Amb25382129 [0,0,0,0,0,1|2,0,1]=4 820 B10R0.93 C[C@H](O[C@@H](C)C(O)=O)C(O)=O Amb25386287 [0,0,0,0,0,1|2,0,0]=3 821 B10R0.93 C[C@H](O[C@H](C)C(O)=O)C(O)=O Amb25386292 [0,0,0,0,0,1|2,0,0]=3 822 B10R0.93 C\C(=C/C(C)C(O)=O)\C(O)=O Amb25138641 [0,0,0,0,0,1|2,0,1]=4 823 B10R0.93 C\C(=C\C(C)C(O)=O)\C(O)=O Amb23591115 [0,0,0,0,0,1|2,0,1]=4 824 B10R0.93 F[C@H](C(=O)N)C[C@@H](C(=O)O)N Amb10839753 [0,0,0,0,0,1|3,0,0]=4 825 B10R0.93 F[C@H](C(=O)N)C[C@H](C(=O)O)N Amb10839752 [0,0,0,0,0,1|3,0,0]=4 826 B10R0.93 NC(=O)C(F)CC(N)C(O)=O Amb25386442 [0,0,0,0,0,1|3,0,0]=4 827 B10R0.93 NC(=O)C(F)C[C@H](N)C(O)=O Amb25383170 [0,0,0,0,0,1|3,0,0]=4 828 B10R0.93 NC(=O)C(N)CC(F)C(O)=O Amb25385219 [0,0,0,0,0,1|3,0,0]=4 829 B10R0.93 NC(=O)C(O)CC(F)C(N)=O Amb25380511 [0,0,0,0,0,1|3,0,0]=4 830 B10R0.93 NC(=O)C(O)CC(O)C(O)=O Amb25385182 [0,0,0,0,0,1|1,0,0]=2 831 B10R0.93 NC(=O)C(O)SC(O)C(N)=O Amb25380504 [0,0,0,0,0,1|2,0,0]=3 832 B10R0.93 NC(=O)N(O)CC(N)C(O)=O Amb25385220 [0,0,0,0,0,1|3,0,0]=4 833 B10R0.93 NC(=O)N(O)C[C@H](N)C(O)=O Amb25383798 [0,0,0,0,0,1|3,0,0]=4 834 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(O)=O Amb25384972 [0,0,0,0,0,1|3,0,0]=4 835 B10R0.93 NC(=O)[C@H](N)C[C@@H](F)C(O)=O Amb25384973 [0,0,0,0,0,1|3,0,0]=4 836 B10R0.93 NC(CC(N)C(O)=O)C(O)=O Amb24117887 [0,0,0,0,0,1|2,0,0]=3 837 B10R0.93 NC(O)C(O)CC(N)C(O)=O Amb25386028 [0,0,0,0,0,1|2,0,1]=4 838 B10R0.93 N[C@@H](CC(F)C(O)=O)C(O)=O Amb22800491 [0,0,0,0,0,1|2,0,0]=3 839 B10R0.93 N[C@@H](C[C@@H](F)C(O)=O)C(O)=O Amb24055860 [0,0,0,0,0,1|2,0,0]=3 840 B10R0.93 N[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb22746048 [0,0,0,0,0,1|2,0,0]=3 841 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22388564 [0,0,0,0,0,1|2,0,0]=3 842 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22745417 [0,0,0,0,0,1|2,0,0]=3 843 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb22800665 [0,0,0,0,0,1|1,0,0]=2 844 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb24117514 [0,0,0,0,0,1|1,0,0]=2 845 B10R0.93 N[C@H](C(=O)N)C[C@@H](C(=O)O)F Amb10838207 [0,0,0,0,0,1|3,0,0]=4 846 B10R0.93 N[C@H](C(=O)N)C[C@H](C(=O)O)F Amb10841109 [0,0,0,0,0,1|3,0,0]=4 847 B10R0.93 N[C@H](C[C@@H](N)C(O)=O)C(O)=O Amb22388558 [0,0,0,0,0,1|2,0,0]=3 848 B10R0.93 N[C@H](C[C@@H](O)C(O)=O)C(O)=O Amb25386295 [0,0,0,0,0,1|1,0,0]=2 849 B10R0.93 OC(=O)C(Cl)CC(Cl)C(O)=O Amb25385940 [0,0,0,0,0,1|2,0,0]=3 850 B10R0.93 OC(=O)C(O)CC(O)C(O)=O Amb18645944 [0,0,0,0,0,1|0,0,0]=1 851 B10R0.93 OC(=O)C(S)CC(S)C(O)=O Amb25384913 [0,0,0,0,0,1|0,2,0]=3 852 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)F)N Amb10839750 [0,0,0,0,0,1|2,0,0]=3 853 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)N)C Amb10807462 [0,0,0,0,0,1|2,0,0]=3 854 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)F)N Amb10839751 [0,0,0,0,0,1|2,0,0]=3 855 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)N)C Amb17617454 [0,0,0,0,0,1|2,0,0]=3 856 B10R0.93 OC(=O)[C@H](O)C[C@@H](O)C(O)=O Amb25386296 [0,0,0,0,0,1|0,0,0]=1 857 B10R0.93 OC(=O)[C@H](S)C[C@@H](S)C(O)=O Amb25386192 [0,0,0,0,0,1|0,2,0]=3 858 B10R0.93 OC(C(=O)O)CC(=O)C(=O)O Amb17615458 [0,0,0,0,0,1|0,0,2]=3 859 B10R0.93 OC(SC(O)C(O)=O)C(O)=O Amb17772308 [0,0,0,0,0,1|0,0,0]=1 860 B10R0.93 O[C@H](CC(=O)C(O)=O)C(O)=O Amb25383809 [0,0,0,0,0,1|0,0,2]=3 861 B10R0.93 [NH3+]C(CC(O)C(O)=O)C([O-])=O Amb25385683 [0,0,0,0,0,1|1,0,1]=3 862 B7R0.2 C#CC(O)CC(O)=O Amb25737576 [2,0,0,0,0,0|1,0,1]=4 863 B7R0.2 C=CC(Br)CC(O)=O Amb18125534 [2,0,0,0,0,0|2,0,0]=4 864 B7R0.2 C=CC(Cl)CC(O)=O Amb18124408 [2,0,0,0,0,0|2,0,0]=4 865 B7R0.2 C=CC(F)CC(O)=O Amb25359137 [2,0,0,0,0,0|2,0,0]=4 866 B7R0.2 C=CC(N)CC(O)=O Amb22641963 [2,0,0,0,0,0|2,0,0]=4 867 B7R0.2 C=CC(O)CC(N)=O Amb25799663 [2,0,0,0,0,0|2,0,0]=4 868 B7R0.2 C=CC(O)CC(O)=O Amb18641866 [2,0,0,0,0,0|1,0,0]=3 869 B7R0.2 C=C[C@@H](O)CC(O)=O Amb25314661 [2,0,0,0,0,0|1,0,0]=3 870 B7R0.2 C=C[C@H](O)CC(O)=O Amb25844309 [2,0,0,0,0,0|1,0,0]=3 871 B7R0.2 CC(=O)CC(O)C=C Amb25103770 [2,0,0,0,0,0|2,0,0]=4 872 B7R0.2 CC(=O)CC(O)C=O Amb24481554 [2,0,0,0,0,0|1,0,0]=3 873 B7R0.2 CC(=O)CC(O)CO Amb25304727 [2,0,0,0,0,0|1,0,1]=4 874 B7R0.2 CC(=O)CC(S)C=O Amb25838806 [2,0,0,0,0,0|1,1,0]=4 875 B7R0.2 CC(=O)C[C@@H](O)CO Amb24640954 [2,0,0,0,0,0|1,0,1]=4 876 B7R0.2 CC(=O)C[C@H](O)C=C Amb25051451 [2,0,0,0,0,0|2,0,0]=4 877 B7R0.2 CC(CC(C)=O)C=O Amb18641789 [2,0,0,0,0,0|2,0,0]=4 878 B7R0.2 CC(CC(O)=O)C=C Amb18641774 [2,0,0,0,0,0|2,0,0]=4 879 B7R0.2 CC(CC(O)=O)C=O Amb25836603 [2,0,0,0,0,0|1,0,0]=3 880 B7R0.2 CC(CC(O)=O)CO Amb18198168 [2,0,0,0,0,0|1,0,1]=4 881 B7R0.2 CCC(CC(=O)O)O Amb10844270 [2,0,0,0,0,0|1,0,1]=4 882 B7R0.2 CCC(O)CC(O)=O Amb22363067 [2,0,0,0,0,0|1,0,1]=4 883 B7R0.2 CN(CC(O)=O)C=O Amb18951578 [2,0,0,0,0,0|2,0,0]=4 884 B7R0.2 C[C@@H](CC(C)=O)C=O Amb24379584 [2,0,0,0,0,0|2,0,0]=4 885 B7R0.2 C[C@H](CC(O)=O)C=C Amb25791667 [2,0,0,0,0,0|2,0,0]=4 886 B7R0.2 NC(=O)CC(O)CO Amb25662216 [2,0,0,0,0,0|1,0,1]=4 887 B7R0.2 NC(CC(N)=O)C=O Amb24482471 [2,0,0,0,0,0|2,0,0]=4 888 B7R0.2 N[C@@H](CC(N)=O)C=O Amb24446454 [2,0,0,0,0,0|2,0,0]=4 889 B7R0.2 N[C@@H](CC([O-])=O)C=O Amb22800169 [2,0,0,0,0,0|1,0,1]=4 890 B7R0.2 N[C@H](CC(O)=O)C=O Amb24643781 [2,0,0,0,0,0|1,0,0]=3 891 B7R0.2 N[C@H](CC(O)=O)CO Amb22388520 [2,0,0,0,0,0|1,0,1]=4 892 B7R0.2 OC(=O)CC(F)C=O Amb25114270 [2,0,0,0,0,0|1,0,0]=3 893 B7R0.2 OC(=O)CN(O)C=O Amb25367291 [2,0,0,0,0,0|1,0,0]=3 894 B7R0.2 OC(=O)CN(O)N=O Amb25041862 [2,0,0,0,0,0|2,0,0]=4 895 B7R0.2 OC(CCl)CC(O)=O Amb18643354 [2,0,0,0,0,0|1,0,1]=4 896 B7R0.2 OCC(O)CP(O)=O Amb25316128 [2,0,0,0,0,0|1,0,1]=4 897 B7R0.2 OC[C@@H](CC(=O)O)N Amb16184020 [2,0,0,0,0,0|1,0,1]=4 898 B7R0.2 OC[C@H](O)CC(O)=O Amb25326979 [2,0,0,0,0,0|0,0,1]=3 899 B7R0.2 O[C@H](CBr)CC(O)=O Amb22265826 [2,0,0,0,0,0|1,0,1]=4 900 B7R0.2 [O-]C(=O)CC(O)C=O Amb22733997 [2,0,0,0,0,0|0,0,1]=3 901 B7R0.2 [O-]C(=O)CC(O)CO Amb24117078 [2,0,0,0,0,0|0,0,2]=4 902 B7R0.5 C#CC[C@@H](O)C(O)=O Amb25189884 [2,0,0,0,0,0|1,0,1]=4 903 B7R0.5 C=CCC(Br)C(O)=O Amb18648213 [2,0,0,0,0,0|2,0,0]=4 904 B7R0.5 C=CCC(Cl)C(O)=O Amb25056173 [2,0,0,0,0,0|2,0,0]=4 905 B7R0.5 C=CCC(N)C(O)=O Amb21856826 [2,0,0,0,0,0|2,0,0]=4 906 B7R0.5 C=CCC(O)C(=C)O Amb25072081 [2,0,0,0,0,0|2,0,0]=4 907 B7R0.5 C=CC[C@@H](F)C(O)=O Amb24481338 [2,0,0,0,0,0|2,0,0]=4 908 B7R0.5 C=CC[C@@H](N)C(O)=O Amb22745310 [2,0,0,0,0,0|2,0,0]=4 909 B7R0.5 C=CC[C@@H](O)C(O)=O Amb24548731 [2,0,0,0,0,0|1,0,0]=3 910 B7R0.5 CC(=C)C(O)CC=O Amb24481571 [2,0,0,0,0,0|2,0,0]=4 911 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [2,0,0,0,0,0|2,0,0]=4 912 B7R0.5 CC(=O)[C@@H](O)CC=O Amb25839860 [2,0,0,0,0,0|1,0,0]=3 913 B7R0.5 CC(=O)[C@H](O)CC=C Amb24662420 [2,0,0,0,0,0|2,0,0]=4 914 B7R0.5 CC(CC=O)C(C)=O Amb18641772 [2,0,0,0,0,0|2,0,0]=4 915 B7R0.5 CC(CCO)C(O)=O Amb18641949 [2,0,0,0,0,0|1,0,1]=4 916 B7R0.5 CC(O)C(O)CC=O Amb25745503 [2,0,0,0,0,0|1,0,1]=4 917 B7R0.5 CCCC(C(=O)O)O Amb2582532 [2,0,0,0,0,0|1,0,1]=4 918 B7R0.5 CCC[C@@H](O)C(O)=O Amb22746731 [2,0,0,0,0,0|1,0,1]=4 919 B7R0.5 CCC[C@H](O)C(O)=O Amb22226514 [2,0,0,0,0,0|1,0,1]=4 920 B7R0.5 CNC[C@H](O)C(O)=O Amb25689188 [2,0,0,0,0,0|2,0,0]=4 921 B7R0.5 COCC(O)C(O)=O Amb18124273 [2,0,0,0,0,0|2,0,0]=4 922 B7R0.5 COC[C@@H](O)C(O)=O Amb25829059 [2,0,0,0,0,0|2,0,0]=4 923 B7R0.5 CSCC(O)C(O)=O Amb25131873 [2,0,0,0,0,0|2,0,0]=4 924 B7R0.5 CSC[C@H](O)C(O)=O Amb24435256 [2,0,0,0,0,0|2,0,0]=4 925 B7R0.5 C[C@@H](C(=O)O)CC=C Amb10844040 [2,0,0,0,0,0|2,0,0]=4 926 B7R0.5 C[C@@H](NC=O)C(O)=O Amb22746684 [2,0,0,0,0,0|2,0,0]=4 927 B7R0.5 C[C@H](C(=O)O)CC=C Amb10844033 [2,0,0,0,0,0|2,0,0]=4 928 B7R0.5 C[C@H](CCO)C(O)=O Amb24483065 [2,0,0,0,0,0|1,0,1]=4 929 B7R0.5 C\C=C\C(O)C(O)=O Amb24481382 [2,0,0,0,0,0|1,0,1]=4 930 B7R0.5 N#CCC(O)C(O)=O Amb25678609 [2,0,0,0,0,0|1,0,1]=4 931 B7R0.5 NC(=O)C(O)CCO Amb25703294 [2,0,0,0,0,0|1,0,1]=4 932 B7R0.5 NC(CS=O)C(O)=O Amb24557184 [2,0,0,0,0,0|2,0,0]=4 933 B7R0.5 NC(CSO)C(O)=O Amb24746797 [2,0,0,0,0,0|2,0,0]=4 934 B7R0.5 NCCC(C(=O)O)O Amb16232090 [2,0,0,0,0,0|1,0,1]=4 935 B7R0.5 NCC[C@@H](O)C(O)=O Amb22225364 [2,0,0,0,0,0|1,0,1]=4 936 B7R0.5 NCC[C@@H](O)C(O)=O Amb22748225 [2,0,0,0,0,0|1,0,1]=4 937 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [2,0,0,0,0,0|1,0,0]=3 938 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [2,0,0,0,0,0|1,0,0]=3 939 B7R0.5 N[C@@H](CCO)C(O)=O Amb20242705 [2,0,0,0,0,0|1,0,1]=4 940 B7R0.5 N[C@@H](CNO)C(O)=O Amb24481412 [2,0,0,0,0,0|2,0,0]=4 941 B7R0.5 N[C@@H](CSO)C(O)=O Amb24481432 [2,0,0,0,0,0|2,0,0]=4 942 B7R0.5 N[C@H](C(=O)O)CC=C Amb10982568 [2,0,0,0,0,0|2,0,0]=4 943 B7R0.5 N[C@H](CNO)C(O)=O Amb24745929 [2,0,0,0,0,0|2,0,0]=4 944 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [2,0,0,0,0,0|1,0,0]=3 945 B7R0.5 O=CNC(C(=O)O)C Amb1144629 [2,0,0,0,0,0|2,0,0]=4 946 B7R0.5 OC(=O)C(O)=CC=O Amb25339531 [2,0,0,0,0,0|0,0,2]=4 947 B7R0.5 OC(=O)\C(\O)=C\C=O Amb25082413 [2,0,0,0,0,0|0,0,2]=4 948 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [2,0,0,0,0,0|0,0,0]=2 949 B7R0.5 OC(CCS)C(O)=O Amb24586206 [2,0,0,0,0,0|0,1,1]=4 950 B7R0.5 OCCC(O)C(O)=O Amb24689942 [2,0,0,0,0,0|0,0,1]=3 951 B7R0.5 O[15NH]CC(C(=O)O)N Amb17608097 [2,0,0,0,0,0|2,0,0]=4 952 B7R0.5 O[C@@H](CCF)C(O)=O Amb24481351 [2,0,0,0,0,0|1,0,1]=4 953 B7R0.10 C=CC(O)C(O)C=C Amb22167268 [2,0,0,0,0,0|2,0,0]=4 954 B7R0.10 C=CC(O)C(O)C=O Amb25318889 [2,0,0,0,0,0|1,0,0]=3 955 B7R0.10 C=CC(O)C(O)CO Amb25082759 [2,0,0,0,0,0|1,0,1]=4 956 B7R0.10 C=CC(O)[C@H](O)CO Amb25716025 [2,0,0,0,0,0|1,0,1]=4 957 B7R0.10 C=C[C@@H](O)[C@@H](O)C=O Amb24383182 [2,0,0,0,0,0|1,0,0]=3 958 B7R0.10 C=C[C@@H](O)[C@H](O)C=O Amb24444427 [2,0,0,0,0,0|1,0,0]=3 959 B7R0.10 C=C[C@H](O)[C@@H](O)C=C Amb24593284 [2,0,0,0,0,0|2,0,0]=4 960 B7R0.10 C=C[C@H](O)[C@@H](O)C=O Amb25733477 [2,0,0,0,0,0|1,0,0]=3 961 B7R0.10 C=C[C@H](O)[C@@H](O)CO Amb25280157 [2,0,0,0,0,0|1,0,1]=4 962 B7R0.10 CC(C=O)C(C)C=O Amb18641795 [2,0,0,0,0,0|2,0,0]=4 963 B7R0.10 CC(C=O)C(O)C=C Amb24481507 [2,0,0,0,0,0|2,0,0]=4 964 B7R0.10 C[C@@H](C=O)[C@@H](C)C=O Amb25827162 [2,0,0,0,0,0|2,0,0]=4 965 B7R0.10 C[C@H](C=O)[C@@H](C)C=O Amb25827161 [2,0,0,0,0,0|2,0,0]=4 966 B7R0.10 C[C@H](C=O)[C@@H](O)C=O Amb24502787 [2,0,0,0,0,0|1,0,0]=3 967 B7R0.10 C[C@H](C=O)[C@H](C)C=O Amb24482506 [2,0,0,0,0,0|2,0,0]=4 968 B7R0.10 OC([PH2]=O)C(O)[PH2]=O Amb24448184 [2,0,0,0,0,0|2,0,0]=4 969 B7R0.10 OCC(O)[C@H](O)C=O Amb25733091 [2,0,0,0,0,0|0,0,1]=3 970 B7R0.10 OC[C@@H](O)C(O)C=O Amb24481538 [2,0,0,0,0,0|0,0,1]=3 971 B7R0.10 OC[C@@H](O)[C@H](O)C=O Amb22746428 [2,0,0,0,0,0|0,0,1]=3 972 B7R0.10 OC[C@H](O)[C@@H](O)C=O Amb24481533 [2,0,0,0,0,0|0,0,1]=3 973 B7R0.10 OC[C@H](O)[C@H](O)C=O Amb25839823 [2,0,0,0,0,0|0,0,1]=3 974 B7R0.10 O[C@@H](C=O)[C@@H](O)C=O Amb25309636 [2,0,0,0,0,0|0,0,0]=2 975 B7R0.10 O[C@@H](CO)C(O)CO Amb25682221 [2,0,0,0,0,0|0,0,2]=4 976 B7R0.10 O[C@H](C=O)[C@@H](O)C=O Amb25046496 [2,0,0,0,0,0|0,0,0]=2 977 B7R0.10 O[C@H](C=O)[C@H](O)C=O Amb24482037 [2,0,0,0,0,0|0,0,0]=2 978 B7R0.10 O[C@H](CO)[C@H](O)CO Amb20242423 [2,0,0,0,0,0|0,0,2]=4 979 B7R0.16 BrC(C(=O)O)C(=O)O Amb17594708 [2,0,0,0,0,0|1,0,1]=4 980 B7R0.16 C=C(Br)C(O)C(O)=O Amb24692957 [2,0,0,0,0,0|1,0,1]=4 981 B7R0.16 CC(C(C(=O)O)Br)O Amb17594710 [2,0,0,0,0,0|1,0,1]=4 982 B7R0.16 CC(C(C(=O)O)C)O Amb17615515 [2,0,0,0,0,0|1,0,1]=4 983 B7R0.16 CC(C(C(=O)O)Cl)O Amb17593522 [2,0,0,0,0,0|1,0,1]=4 984 B7R0.16 CC(C(O)=O)S(O)=O Amb25680146 [2,0,0,0,0,0|2,0,0]=4 985 B7R0.16 CC(Cl)C(O)C(O)=O Amb25222028 [2,0,0,0,0,0|1,0,1]=4 986 B7R0.16 CC(F)C(O)C(O)=O Amb24385715 [2,0,0,0,0,0|1,0,1]=4 987 B7R0.16 CC(N)C(O)C(O)=O Amb18641970 [2,0,0,0,0,0|1,0,1]=4 988 B7R0.16 CC(O)C(O)C(O)=O Amb18124272 [2,0,0,0,0,0|0,0,1]=3 989 B7R0.16 CC(O)C(O)C(O)O Amb25792462 [2,0,0,0,0,0|1,0,1]=4 990 B7R0.16 CC(O)[C@@H](C)C(O)=O Amb25857406 [2,0,0,0,0,0|1,0,1]=4 991 B7R0.16 C[C@@H](Cl)[C@@H](O)C(O)=O Amb24445574 [2,0,0,0,0,0|1,0,1]=4 992 B7R0.16 C[C@@H](O)C(C)C(O)=O Amb24469914 [2,0,0,0,0,0|1,0,1]=4 993 B7R0.16 C[C@@H](O)[13C@H](N)[13C](O)=O Amb22336905 [2,0,0,0,0,0|1,0,1]=4 994 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O Amb24481394 [2,0,0,0,0,0|1,0,1]=4 995 B7R0.16 C[C@@H](O)[C@@H](O)C(C)=O Amb24701454 [2,0,0,0,0,0|1,0,1]=4 996 B7R0.16 C[C@@H](O)[C@H](F)C(O)=O Amb24470562 [2,0,0,0,0,0|1,0,1]=4 997 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O Amb22351168 [2,0,0,0,0,0|1,0,1]=4 998 B7R0.16 C[C@@H](O)[C@H](O)C(C)=O Amb24481484 [2,0,0,0,0,0|1,0,1]=4 999 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(O)=O Amb22353591 [2,0,0,0,0,0|1,0,1]=4 1000 B7R0.16 C[C@@H]([C@H](C(=O)O)C)O Amb10844569 [2,0,0,0,0,0|1,0,1]=4 1001 B7R0.16 C[C@H](N)C(O)C(O)=O Amb24649032 [2,0,0,0,0,0|1,0,1]=4 1002 B7R0.16 C[C@H](N)[C@H](O)C(O)=O Amb19929490 [2,0,0,0,0,0|1,0,1]=4 1003 B7R0.16 C[C@H](N)[C@H](O)C(O)=O Amb24407396 [2,0,0,0,0,0|1,0,1]=4 1004 B7R0.16 C[C@H](O)C(N)C(O)=O Amb24377632 [2,0,0,0,0,0|1,0,1]=4 1005 B7R0.16 C[C@H](O)[C@@H](O)C(O)=O Amb25844932 [2,0,0,0,0,0|0,0,1]=3 1006 B7R0.16 C[C@H]([C@@H](C(=O)O)C)O Amb10844572 [2,0,0,0,0,0|1,0,1]=4 1007 B7R0.16 C[C@H]([C@@H]([13C](=O)O)N)O Amb17620634 [2,0,0,0,0,0|1,0,1]=4 1008 B7R0.16 NC(=O)C(O)C(O)=O Amb24548669 [2,0,0,0,0,0|1,0,1]=4 1009 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [2,0,0,0,0,0|1,0,1]=4 1010 B7R0.16 NC(C(O)=O)S(O)=O Amb24464759 [2,0,0,0,0,0|2,0,0]=4 1011 B7R0.16 NC(C(O)O)C(O)=O Amb25682498 [2,0,0,0,0,0|1,0,0]=3 1012 B7R0.16 OC(=O)C(Cl)C(O)=O Amb18643353 [2,0,0,0,0,0|1,0,1]=4 1013 B7R0.16 OC(=O)C(F)C(O)=O Amb24055884 [2,0,0,0,0,0|1,0,1]=4 1014 B7R0.16 OC(C(=O)O)C(=O)O Amb1215315 [2,0,0,0,0,0|0,0,1]=3 1015 B7R0.16 OC(C(=O)O)C(C)C Amb2582547 [2,0,0,0,0,0|1,0,1]=4 1016 B7R0.16 OC(C(F)F)C(O)=O Amb25074883 [2,0,0,0,0,0|2,0,0]=4 1017 B7R0.16 OC(C(O)=O)S(O)=O Amb24551214 [2,0,0,0,0,0|1,0,0]=3 1018 B7R0.16 O[C@@H](C(=O)O)C(C)C Amb10071589 [2,0,0,0,0,0|1,0,1]=4 1019 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](O)=O Amb22353590 [2,0,0,0,0,0|1,0,1]=4 1020 B7R0.16 [14CH3][14CH](O)[14CH](N)[14C](O)=O Amb22352529 [2,0,0,0,0,0|1,0,1]=4 1021 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [2,0,0,0,0,0|2,0,0]=4 1022 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [2,0,0,0,0,0|2,0,0]=4 1023 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [2,0,0,0,0,0|2,0,0]=4 1024 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [2,0,0,0,0,0|2,0,0]=4 1025 B7R0.6 CC(=O)CCC(=O)Cl Amb17142859 [2,0,0,0,0,0|2,0,0]=4 1026 B7R0.6 CC(=O)CCC(=O)N Amb17142854 [2,0,0,0,0,0|2,0,0]=4 1027 B7R0.6 CC(=O)CCC([O-])=O Amb22350071 [2,0,0,0,0,0|1,0,1]=4 1028 B7R0.6 CC(=O)CCP(O)=O Amb24647699 [2,0,0,0,0,0|2,0,0]=4 1029 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [2,0,0,0,0,0|2,0,0]=4 1030 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [2,0,0,0,0,0|2,0,0]=4 1031 B7R0.6 CC(=O)SCC(=O)O Amb17607669 [2,0,0,0,0,0|2,0,0]=4 1032 B7R0.6 CC(O)CCC(O)=O Amb18294804 [2,0,0,0,0,0|1,0,1]=4 1033 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [2,0,0,0,0,0|2,0,0]=4 1034 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [2,0,0,0,0,0|2,0,0]=4 1035 B7R0.6 NC(=O)CCC(=O)N Amb1353209 [2,0,0,0,0,0|2,0,0]=4 1036 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [2,0,0,0,0,0|2,0,0]=4 1037 B7R0.6 NC(=O)CNC(O)=O Amb24705097 [2,0,0,0,0,0|2,0,0]=4 1038 B7R0.6 NC(=O)NCC(=O)O Amb16205895 [2,0,0,0,0,0|2,0,0]=4 1039 B7R0.6 NC(=O)OCC(O)=O Amb25777061 [2,0,0,0,0,0|2,0,0]=4 1040 B7R0.6 NC(=O)SCC(O)=O Amb24640543 [2,0,0,0,0,0|2,0,0]=4 1041 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [2,0,0,0,0,0|1,1,0]=4 1042 B7R0.6 O=C(F)CCC(=O)F Amb24483270 [2,0,0,0,0,0|2,0,0]=4 1043 B7R0.6 OB(O)CCC(O)=O Amb24640288 [2,0,0,0,0,0|1,0,1]=4 1044 B7R0.6 OC(=O)C=CC(O)=O Amb22487311 [2,0,0,0,0,0|0,0,2]=4 1045 B7R0.6 OC(=O)C=CC(O)=O Amb22487315 [2,0,0,0,0,0|0,0,2]=4 1046 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [2,0,0,0,0,0|1,0,0]=3 1047 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [2,0,0,0,0,0|0,0,0]=2 1048 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [2,0,0,0,0,0|0,0,0]=2 1049 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [2,0,0,0,0,0|0,0,0]=2 1050 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [2,0,0,0,0,0|0,0,0]=2 1051 B7R0.6 OC(=O)CNC(=O)Cl Amb25277149 [2,0,0,0,0,0|2,0,0]=4 1052 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [2,0,0,0,0,0|0,0,0]=2 1053 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [2,0,0,0,0,0|1,0,0]=3 1054 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [2,0,0,0,0,0|0,0,0]=2 1055 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [2,0,0,0,0,0|0,0,0]=2 1056 B7R0.6 OC(=O)\C=C/C(O)=O Amb22274309 [2,0,0,0,0,0|0,0,2]=4 1057 B7R0.6 OC(=O)\C=C/C(O)=O Amb22350132 [2,0,0,0,0,0|0,0,2]=4 1058 B7R0.6 OC(=O)\C=C\C(=O)O Amb10072561 [2,0,0,0,0,0|0,0,2]=4 1059 B7R0.6 OC(=O)\C=C\C(O)=O Amb22336584 [2,0,0,0,0,0|0,0,2]=4 1060 B7R0.6 OC(=O)\C=C\C(O)=O Amb22352586 [2,0,0,0,0,0|0,0,2]=4 1061 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353441 [2,0,0,0,0,0|0,0,2]=4 1062 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353537 [2,0,0,0,0,0|0,0,2]=4 1063 B7R0.6 OC(=O)\C=C\C(O)=O Amb22360655 [2,0,0,0,0,0|0,0,2]=4 1064 B7R0.6 OC(=O)\[13CH]=[13CH]\C(O)=O Amb22363150 [2,0,0,0,0,0|0,0,2]=4 1065 B7R0.6 OC(=O)\[14CH]=[14CH]/C(O)=O Amb22352435 [2,0,0,0,0,0|0,0,2]=4 1066 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [2,0,0,0,0,0|0,1,0]=3 1067 B7R0.6 OC(O)CCC(O)=O Amb25762802 [2,0,0,0,0,0|0,0,2]=4 1068 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [2,0,0,0,0,0|0,0,0]=2 1069 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [2,0,0,0,0,0|0,0,0]=2 1070 B7R0.6 O[13C](=O)\[13CH]=[13CH]\[13C](O)=O Amb22055283 [2,0,0,0,0,0|0,0,2]=4 1071 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [2,0,0,0,0,0|0,0,0]=2 1072 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [2,0,0,0,0,0|1,0,0]=3 1073 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [2,0,0,0,0,0|0,0,1]=3 1074 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [2,0,0,0,0,0|0,0,1]=3 1075 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22230230 [2,0,0,0,0,0|0,0,2]=4 1076 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22330623 [2,0,0,0,0,0|0,0,2]=4 1077 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22360668 [2,0,0,0,0,0|0,0,2]=4 1078 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22731284 [2,0,0,0,0,0|0,0,2]=4 1079 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [2,0,0,0,0,0|1,0,1]=4 1080 B9R0.6 C=CCC(N)C(O)C(O)=O Amb25147612 [1,1,0,0,0,0|2,0,0]=4 1081 B9R0.6 C=CC[C@@H](O)[C@H](N)C(O)=O Amb24459826 [1,1,0,0,0,0|2,0,0]=4 1082 B9R0.6 CC(=O)C(O)C(O)CCO Amb24458926 [1,1,0,0,0,0|1,0,1]=4 1083 B9R0.6 CC(=O)[C@@H](O)[C@H](O)CCO Amb24409676 [1,1,0,0,0,0|1,0,1]=4 1084 B9R0.6 CC(C(C)CC=O)C(O)=O Amb18644133 [1,1,0,0,0,0|2,0,0]=4 1085 B9R0.6 CC(C(C)NC=O)C(O)=O Amb24543868 [1,1,0,0,0,0|2,0,0]=4 1086 B9R0.6 CC(C(O)\C=C\C)C(O)=O Amb18644138 [1,1,0,0,0,0|2,0,0]=4 1087 B9R0.6 CC(CCO)C(O)C(O)=O Amb24392760 [1,1,0,0,0,0|1,0,1]=4 1088 B9R0.6 CC(\C=C\C)C(O)C(O)=O Amb18644120 [1,1,0,0,0,0|2,0,0]=4 1089 B9R0.6 CCC[C@@H](O)[C@H](O)C(O)=O Amb24480722 [1,1,0,0,0,0|1,0,1]=4 1090 B9R0.6 COCC(O)C(N)C(O)=O Amb25147551 [1,1,0,0,0,0|1,0,1]=4 1091 B9R0.6 C[C@@H](O)[C@H](O)[C@@H](O)CC=O Amb24711764 [1,1,0,0,0,0|1,0,1]=4 1092 B9R0.6 C[C@@H](O)[C@H](O)[C@H](O)CC=O Amb25253399 [1,1,0,0,0,0|1,0,1]=4 1093 B9R0.6 C[C@@H]([C@H](O)\C=C\C)C(O)=O Amb25340404 [1,1,0,0,0,0|2,0,0]=4 1094 B9R0.6 C[C@@H](\C=C\C)[C@@H](O)C(O)=O Amb24480683 [1,1,0,0,0,0|2,0,0]=4 1095 B9R0.6 C[C@H](CCO)[C@H](O)C(O)=O Amb25122108 [1,1,0,0,0,0|1,0,1]=4 1096 B9R0.6 C[C@H](O)[C@@H](O)[C@@H](O)CC=O Amb25679039 [1,1,0,0,0,0|1,0,1]=4 1097 B9R0.6 C[C@H](O)[C@H](O)[C@@H](O)CC=O Amb24477017 [1,1,0,0,0,0|1,0,1]=4 1098 B9R0.6 C[C@H](O)[C@H](O)[C@H](O)CC=O Amb25773334 [1,1,0,0,0,0|1,0,1]=4 1099 B9R0.6 C[C@H]([C@@H](O)\C=C\C)C(O)=O Amb24359088 [1,1,0,0,0,0|2,0,0]=4 1100 B9R0.6 C[C@H]([C@H](C)OC=O)C(O)=O Amb24479221 [1,1,0,0,0,0|2,0,0]=4 1101 B9R0.6 C[C@H]([C@H](O)\C=C\C)C(O)=O Amb25378724 [1,1,0,0,0,0|2,0,0]=4 1102 B9R0.6 OCCC(O)C(O)C(O)=O Amb24482452 [1,1,0,0,0,0|0,0,1]=3 1103 B9R0.25 OC[C@@H](O)[C@@H](O)P(O)(O)=O Amb25806053 [1,1,0,0,0,0|1,0,1]=4 1104 B9R0.25 OC[C@@H](O)[C@H](O)P(O)(O)=O Amb25044300 [1,1,0,0,0,0|1,0,1]=4 1105 B9R0.27 C=CC(O)C(O)C(=O)CO Amb25723933 [1,1,0,0,0,0|1,0,0]=3 1106 B9R0.27 C=C[C@@H](O)[C@H](O)C(=O)CO Amb25282755 [1,1,0,0,0,0|1,0,0]=3 1107 B9R0.27 CC(C(C)C=O)C(=O)OC Amb25828591 [1,1,0,0,0,0|2,0,0]=4 1108 B9R0.27 CC(C=C)C(O)C(=O)OC Amb25125510 [1,1,0,0,0,0|2,0,0]=4 1109 B9R0.27 CC(C=C)[C@@H](O)C(=O)OC Amb24422774 [1,1,0,0,0,0|2,0,0]=4 1110 B9R0.27 CC(C=C)[C@H](O)C(=O)OC Amb25107561 [1,1,0,0,0,0|2,0,0]=4 1111 B9R0.27 CC(C=O)C(Br)C(=O)OC Amb24640254 [1,1,0,0,0,0|2,0,0]=4 1112 B9R0.27 CC(C=O)C(O)C(=O)CC Amb25162779 [1,1,0,0,0,0|2,0,0]=4 1113 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO Amb24647600 [1,1,0,0,0,0|1,0,1]=4 1114 B9R0.27 CCC(O)C(O)C(=O)CO Amb25146801 [1,1,0,0,0,0|1,0,1]=4 1115 B9R0.27 CCC(O)C(O)C(=O)OC Amb24457791 [1,1,0,0,0,0|1,0,1]=4 1116 B9R0.27 CCC(O)C(O)C(O)C=O Amb25833335 [1,1,0,0,0,0|1,0,1]=4 1117 B9R0.27 CC[C@@H](O)[C@@H](O)C(=O)CO Amb25663072 [1,1,0,0,0,0|1,0,1]=4 1118 B9R0.27 CC[C@H](O)[C@@H](O)C(=O)CO Amb25370711 [1,1,0,0,0,0|1,0,1]=4 1119 B9R0.27 CC[C@H](O)[C@H](O)C(=O)CO Amb24478272 [1,1,0,0,0,0|1,0,1]=4 1120 B9R0.27 COC(=O)C(F)C(O)CO Amb25120052 [1,1,0,0,0,0|1,0,1]=4 1121 B9R0.27 COC(=O)C(O)C(F)C=O Amb25143460 [1,1,0,0,0,0|1,0,0]=3 1122 B9R0.27 COC(=O)C(O)C(F)CO Amb25097732 [1,1,0,0,0,0|1,0,1]=4 1123 B9R0.27 COC(=O)C(O)C(N)C=C Amb24685503 [1,1,0,0,0,0|2,0,0]=4 1124 B9R0.27 COC(=O)C(O)C(N)CO Amb25288549 [1,1,0,0,0,0|1,0,1]=4 1125 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CO Amb25288997 [1,1,0,0,0,0|1,0,1]=4 1126 B9R0.27 COC(=O)[C@@H](F)[C@@H](O)CO Amb24353362 [1,1,0,0,0,0|1,0,1]=4 1127 B9R0.27 COC(=O)[C@@H](O)[C@@H](F)CO Amb24524431 [1,1,0,0,0,0|1,0,1]=4 1128 B9R0.27 COC(=O)[C@@H](O)[C@H](F)CO Amb25712976 [1,1,0,0,0,0|1,0,1]=4 1129 B9R0.27 COC(=O)[C@@H](O)[C@H](N)CO Amb25265465 [1,1,0,0,0,0|1,0,1]=4 1130 B9R0.27 COC(=O)[C@H](O)[C@@H](O)CCl Amb24480650 [1,1,0,0,0,0|1,0,1]=4 1131 B9R0.27 COC(=O)[C@H](O)[C@H](O)CBr Amb25311327 [1,1,0,0,0,0|1,0,1]=4 1132 B9R0.27 C[C@@H]([C@@H](C)C=O)C(=O)OC Amb25142663 [1,1,0,0,0,0|2,0,0]=4 1133 B9R0.27 C[C@@H]([C@H](O)C=C)C(=O)OC Amb24429580 [1,1,0,0,0,0|2,0,0]=4 1134 B9R0.27 C[C@H](C=C)[C@@H](O)C(=O)OC Amb25097689 [1,1,0,0,0,0|2,0,0]=4 1135 B9R0.27 C[C@H](C=O)[C@@H](O)C(=O)CC Amb25093264 [1,1,0,0,0,0|2,0,0]=4 1136 B9R0.27 C[C@H]([C@@H](O)C=C)C(=O)OC Amb25215424 [1,1,0,0,0,0|2,0,0]=4 1137 B9R0.27 C[C@H]([C@H](O)C=C)C(=O)OC Amb25706084 [1,1,0,0,0,0|2,0,0]=4 1138 B9R0.27 NCC(=O)C(O)C(O)CO Amb25095234 [1,1,0,0,0,0|1,0,1]=4 1139 B9R0.27 NCC(O)C(O)C(O)C=O Amb24419787 [1,1,0,0,0,0|1,0,1]=4 1140 B9R0.27 NC[C@@H](O)[C@H](O)[C@@H](O)C=O Amb24683002 [1,1,0,0,0,0|1,0,1]=4 1141 B9R0.27 NNC(=O)C(O)C(O)CO Amb25739705 [1,1,0,0,0,0|1,0,1]=4 1142 B9R0.27 NNC(=O)[C@H](O)[C@H](O)CO Amb25332394 [1,1,0,0,0,0|1,0,1]=4 1143 B9R0.27 N[C@@H](CO)[C@@H](O)[C@H](O)C=O Amb24546992 [1,1,0,0,0,0|1,0,1]=4 1144 B9R0.27 N[C@@H](CO)[C@H](O)[C@H](O)C=O Amb25147294 [1,1,0,0,0,0|1,0,1]=4 1145 B9R0.27 OC(C(O)CBr)C(O)C=O Amb25799010 [1,1,0,0,0,0|1,0,1]=4 1146 B9R0.27 OC(C(O)CF)C(O)C=O Amb25066224 [1,1,0,0,0,0|1,0,1]=4 1147 B9R0.27 OC(C=O)C(Br)C(=O)C=O Amb25857350 [1,1,0,0,0,0|1,0,1]=4 1148 B9R0.27 OC(CO)C(O)C(=O)CO Amb25099014 [1,1,0,0,0,0|0,0,1]=3 1149 B9R0.27 OC(CO)[C@H](O)C(=O)CO Amb25146835 [1,1,0,0,0,0|0,0,1]=3 1150 B9R0.27 OC([C@H](O)C=O)[C@H](O)C=O Amb25075654 [1,1,0,0,0,0|0,0,1]=3 1151 B9R0.27 OCC(=O)C(O)C(O)CF Amb25830531 [1,1,0,0,0,0|1,0,1]=4 1152 B9R0.27 OCC(=O)[C@@H](O)C(O)CF Amb25146806 [1,1,0,0,0,0|1,0,1]=4 1153 B9R0.27 OCC(=O)[C@@H](O)[C@H](O)CBr Amb24477214 [1,1,0,0,0,0|1,0,1]=4 1154 B9R0.27 OCC(=O)[C@@H](O)[C@H](O)CCl Amb24562237 [1,1,0,0,0,0|1,0,1]=4 1155 B9R0.27 OCC(=O)[C@@H](O)[C@H](O)CS Amb25839360 [1,1,0,0,0,0|0,1,1]=4 1156 B9R0.27 OCC(Cl)C(O)C(O)C=O Amb24476993 [1,1,0,0,0,0|1,0,1]=4 1157 B9R0.27 OCC(O)C(O)C(=O)C=O Amb25370795 [1,1,0,0,0,0|0,0,2]=4 1158 B9R0.27 OCC(O)C(O)C(=O)NO Amb25676772 [1,1,0,0,0,0|0,0,1]=3 1159 B9R0.27 OCC(O)[C@@H](O)[C@@H](O)C=O Amb25205443 [1,1,0,0,0,0|0,0,2]=4 1160 B9R0.27 OCC(O)[C@H](O)[C@@H](O)C=O Amb25797947 [1,1,0,0,0,0|0,0,2]=4 1161 B9R0.27 OC[C@@H](O)C(O)[C@@H](O)C=O Amb24413837 [1,1,0,0,0,0|0,0,2]=4 1162 B9R0.27 OC[C@@H](O)[C@H](O)C(=O)NO Amb25057744 [1,1,0,0,0,0|0,0,1]=3 1163 B9R0.27 OC[C@H](Cl)[C@@H](O)[C@H](O)C=O Amb24634295 [1,1,0,0,0,0|1,0,1]=4 1164 B9R0.27 OC[C@H](O)[C@@H](O)[C@@H](O)C=O Amb25146279 [1,1,0,0,0,0|0,0,2]=4 1165 B9R0.27 OC[C@H](O)\C(\O)=C(/O)\C=O Amb25269544 [1,1,0,0,0,0|0,0,2]=4 1166 B9R0.27 OC[C@H]([C@@H]([C@@H](C=O)O)O)O Amb10807416 [1,1,0,0,0,0|0,0,2]=4 1167 B9R0.27 OC[C@H]([C@@H]([C@H](C=O)O)O)O Amb10843531 [1,1,0,0,0,0|0,0,2]=4 1168 B9R0.27 O[C@@H](CO)[C@@H](O)C(=O)CO Amb22800928 [1,1,0,0,0,0|0,0,1]=3 1169 B9R0.27 O[C@@H](CO)[C@H](O)C(=O)CO Amb22352819 [1,1,0,0,0,0|0,0,1]=3 1170 B9R0.27 O[C@H](CO)[C@@H](O)C(=O)CO Amb22230606 [1,1,0,0,0,0|0,0,1]=3 1171 B9R0.27 O[C@H]([C@H](O)CF)[C@@H](O)C=O Amb25858526 [1,1,0,0,0,0|1,0,1]=4 1172 B9R0.28 CC(=O)C(O)(O)C(O)CO Amb24722053 [1,1,0,0,0,0|1,0,1]=4 1173 B9R0.28 CC(C)(C(O)C=C)C(O)=O Amb24568657 [1,1,0,0,0,0|2,0,0]=4 1174 B9R0.28 CC(C=C)C(C)(O)C(O)=O Amb18644094 [1,1,0,0,0,0|2,0,0]=4 1175 B9R0.28 CC(C=O)C(C)(C)C(O)=O Amb25063874 [1,1,0,0,0,0|2,0,0]=4 1176 B9R0.28 CC(O)([C@H](O)CO)C(O)=O Amb24524547 [1,1,0,0,0,0|0,0,1]=3 1177 B9R0.28 CCC(O)C(C)(O)C(O)=O Amb18644353 [1,1,0,0,0,0|1,0,1]=4 1178 B9R0.28 CC[C@@H](O)[C@](C)(O)C(O)=O Amb25111955 [1,1,0,0,0,0|1,0,1]=4 1179 B9R0.28 CC[C@H](O)[C@](C)(O)C(O)=O Amb24624659 [1,1,0,0,0,0|1,0,1]=4 1180 B9R0.28 C[C@@H](C=C)[C@](C)(O)C(O)=O Amb24683050 [1,1,0,0,0,0|2,0,0]=4 1181 B9R0.28 C[C@@](O)([C@H](O)CO)C(O)=O Amb24687216 [1,1,0,0,0,0|0,0,1]=3 1182 B9R0.29 CCC(O)C(OC)C(O)=O Amb18644355 [1,1,0,0,0,0|1,0,1]=4 1183 B9R0.29 CO[C@@H]([C@H](O)CO)C(N)=O Amb24427631 [1,1,0,0,0,0|1,0,1]=4 1184 B9R0.29 CO[C@H]([C@@H](O)CO)C(O)=O Amb25065328 [1,1,0,0,0,0|0,0,1]=3 1185 B9R0.29 CO[C@H]([C@H](O)CO)C(O)=O Amb25053877 [1,1,0,0,0,0|0,0,1]=3 1186 B9R0.29 C[C@@H](C=C)[C@H](OC)C(O)=O Amb25824161 [1,1,0,0,0,0|2,0,0]=4 1187 B9R0.29 C[C@@H](O)[C@H](OC)[C@@H](O)C=O Amb25732574 [1,1,0,0,0,0|1,0,1]=4 1188 B9R0.32 CC(C)(C=C)C(O)C(O)=O Amb25789992 [1,1,0,0,0,0|2,0,0]=4 1189 B9R0.32 CC(C)(C=O)C(O)C(O)=O Amb25118019 [1,1,0,0,0,0|1,0,0]=3 1190 B9R0.32 CC(C)(CO)C(O)C(O)=O Amb18644357 [1,1,0,0,0,0|1,0,1]=4 1191 B9R0.32 CC(O)(CF)C(O)C(O)=O Amb24440807 [1,1,0,0,0,0|1,0,1]=4 1192 B9R0.32 CC(O)C(O)C(C)(O)C=O Amb25145537 [1,1,0,0,0,0|1,0,1]=4 1193 B9R0.32 CC[C@@](C)(O)[C@H](O)C(O)=O Amb25825540 [1,1,0,0,0,0|1,0,1]=4 1194 B9R0.32 C[C@@](O)(CO)[C@H](N)C(O)=O Amb25251068 [1,1,0,0,0,0|1,0,1]=4 1195 B9R0.32 C[C@](O)(CN)[C@@H](O)C(O)=O Amb25727684 [1,1,0,0,0,0|1,0,1]=4 1196 B9R0.32 C[C@](O)(CN)[C@H](O)C(O)=O Amb25701236 [1,1,0,0,0,0|1,0,1]=4 1197 B9R0.32 OCP(O)(=O)C(O)C(O)=O Amb24462681 [1,1,0,0,0,0|1,0,1]=4 1198 B9R0.41 CC(=O)[C@H](O)[C@H](CC)C=O Amb25142665 [1,1,0,0,0,0|2,0,0]=4 1199 B9R0.41 CC(C(C=C)OC)C(O)=O Amb25340446 [1,1,0,0,0,0|2,0,0]=4 1200 B9R0.41 CCC(OC)C(O)C(O)=O Amb25695288 [1,1,0,0,0,0|1,0,1]=4 1201 B9R0.41 CO[C@@H](CO)[C@@H](O)C(N)=O Amb25147298 [1,1,0,0,0,0|1,0,1]=4 1202 B9R0.41 C[C@@H]([C@@H](C=C)OC)C(O)=O Amb25840435 [1,1,0,0,0,0|2,0,0]=4 1203 B9R0.41 NC(C(CO)CO)C(O)=O Amb24436950 [1,1,0,0,0,0|1,0,1]=4 1204 B9R0.41 N[C@H](C(CO)CO)C(O)=O Amb25757902 [1,1,0,0,0,0|1,0,1]=4 1205 B9R0.10 CC(C)(O)C(O)CC(O)=O Amb25808868 [1,1,0,0,0,0|1,0,1]=4 1206 B9R0.10 CC(CC(O)=O)P(C)(O)=O Amb25059136 [1,1,0,0,0,0|2,0,0]=4 1207 B9R0.10 C[C@H](CC(O)=O)S(O)(=O)=O Amb25210783 [1,1,0,0,0,0|2,0,0]=4 1208 B9R0.10 N[C@@H](CC(O)=O)P(O)(O)=O Amb25322981 [1,1,0,0,0,0|2,0,0]=4 1209 B9R0.11 CC(=C)CC(C)(O)C(O)=O Amb24763776 [1,1,0,0,0,0|2,0,0]=4 1210 B9R0.11 CC(=O)C(C)(Br)CC(O)=O Amb24682759 [1,1,0,0,0,0|2,0,0]=4 1211 B9R0.11 CC(=O)C(C)(O)CC(O)=O Amb25733298 [1,1,0,0,0,0|1,0,0]=3 1212 B9R0.11 CC(=O)CC(C)(C)C(O)=O Amb18644092 [1,1,0,0,0,0|2,0,0]=4 1213 B9R0.11 CC(=O)NC(O)(Cl)C(O)=O Amb25772842 [1,1,0,0,0,0|2,0,0]=4 1214 B9R0.11 CC(=O)[C@](C)(O)CC(C)=O Amb25738871 [1,1,0,0,0,0|2,0,0]=4 1215 B9R0.11 CC(C)(CC(=O)Cl)C(O)=O Amb25211275 [1,1,0,0,0,0|2,0,0]=4 1216 B9R0.11 CC(C)(CC(N)=O)C(O)=O Amb24721912 [1,1,0,0,0,0|2,0,0]=4 1217 B9R0.11 CC(Cl)(CC(O)=O)C(O)=O Amb18126463 [1,1,0,0,0,0|1,0,0]=3 1218 B9R0.11 CC(N)(CC(O)=O)C(O)=O Amb22800383 [1,1,0,0,0,0|1,0,0]=3 1219 B9R0.11 CC(N)(CC(O)=O)P(O)=O Amb25701546 [1,1,0,0,0,0|2,0,0]=4 1220 B9R0.11 CC(O)(CC(N)=O)C(O)=O Amb24744548 [1,1,0,0,0,0|1,0,0]=3 1221 B9R0.11 CC(O)(CC(O)=O)C(N)=O Amb24669300 [1,1,0,0,0,0|1,0,0]=3 1222 B9R0.11 CC(O)(CC(O)=O)C(O)=O Amb22352645 [1,1,0,0,0,0|0,0,0]=2 1223 B9R0.11 CC(O)(CC([O-])=O)C([O-])=O Amb22353060 [1,1,0,0,0,0|0,0,2]=4 1224 B9R0.11 CC(O)CC(C)(O)C(O)=O Amb25265252 [1,1,0,0,0,0|1,0,1]=4 1225 B9R0.11 CC(S)(CC(O)=O)C(O)=O Amb25053889 [1,1,0,0,0,0|0,1,0]=3 1226 B9R0.11 C[C@@](N)(CC(N)=O)C(O)=O Amb22225025 [1,1,0,0,0,0|2,0,0]=4 1227 B9R0.11 C[C@@](O)(CC(O)=O)C(O)=O Amb22336254 [1,1,0,0,0,0|0,0,0]=2 1228 B9R0.11 NC(=O)C(F)(F)CC(O)=O Amb25109736 [1,1,0,0,0,0|2,0,0]=4 1229 B9R0.11 NC(N)(CC(O)=O)C(O)=O Amb24460545 [1,1,0,0,0,0|1,0,0]=3 1230 B9R0.11 OC(=O)C(O)(F)CC(O)=O Amb25798979 [1,1,0,0,0,0|0,0,0]=2 1231 B9R0.11 OC(=O)C(S)(S)CC(O)=O Amb22230560 [1,1,0,0,0,0|0,1,0]=3 1232 B9R0.11 OC(=O)CC(C(=O)O)(N)C Amb10807406 [1,1,0,0,0,0|1,0,0]=3 1233 B9R0.11 OC(=O)CC(C(=O)O)(O)O Amb16232015 [1,1,0,0,0,0|0,0,0]=2 1234 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C Amb10601663 [1,1,0,0,0,0|1,0,0]=3 1235 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb10601664 [1,1,0,0,0,0|1,0,0]=3 1236 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb17608152 [1,1,0,0,0,0|1,0,0]=3 1237 B9R0.23 CC(=C)CC(O)C(=O)OC Amb24464009 [1,1,0,0,0,0|2,0,0]=4 1238 B9R0.23 CC(=O)CC(N)C(=O)OC Amb25367296 [1,1,0,0,0,0|2,0,0]=4 1239 B9R0.23 CC(=O)CC(O)C(=O)CC Amb25767775 [1,1,0,0,0,0|2,0,0]=4 1240 B9R0.23 CC(=O)C[C@@H](O)C(=O)OC Amb24408458 [1,1,0,0,0,0|1,0,0]=3 1241 B9R0.23 CC(=O)C[C@H](O)C(=O)OC Amb25146504 [1,1,0,0,0,0|1,0,0]=3 1242 B9R0.23 CC(=O)NC(O)C(=O)OC Amb25147262 [1,1,0,0,0,0|2,0,0]=4 1243 B9R0.23 CC(CC(O)=O)C(=O)CN Amb25072734 [1,1,0,0,0,0|2,0,0]=4 1244 B9R0.23 CC(O)C[C@H](O)C(=O)CO Amb25146805 [1,1,0,0,0,0|1,0,1]=4 1245 B9R0.23 CCC(=O)[C@@H](C)CC(O)=O Amb24504994 [1,1,0,0,0,0|2,0,0]=4 1246 B9R0.23 CCC(=O)[C@H](C)CC(O)=O Amb24426900 [1,1,0,0,0,0|2,0,0]=4 1247 B9R0.23 CCC(O)C(O)CC(O)=O Amb25132101 [1,1,0,0,0,0|1,0,1]=4 1248 B9R0.23 CN(CC(O)=O)C(=O)CO Amb25848387 [1,1,0,0,0,0|2,0,0]=4 1249 B9R0.23 CNC(=O)C(N)CC(O)=O Amb18862479 [1,1,0,0,0,0|2,0,0]=4 1250 B9R0.23 CNC(=O)[C@@H](N)CC(O)=O Amb25694374 [1,1,0,0,0,0|2,0,0]=4 1251 B9R0.23 COC(=O)C(Br)CC(N)=O Amb24728398 [1,1,0,0,0,0|2,0,0]=4 1252 B9R0.23 COC(=O)C(Br)CC(O)=O Amb18656999 [1,1,0,0,0,0|1,0,0]=3 1253 B9R0.23 COC(=O)C(C)CC(=O)Cl Amb24648102 [1,1,0,0,0,0|2,0,0]=4 1254 B9R0.23 COC(=O)C(C)CC(N)=O Amb25113876 [1,1,0,0,0,0|2,0,0]=4 1255 B9R0.23 COC(=O)C(C)CC(O)=O Amb18644248 [1,1,0,0,0,0|1,0,0]=3 1256 B9R0.23 COC(=O)C(CC(=O)N)N Amb16243083 [1,1,0,0,0,0|2,0,0]=4 1257 B9R0.23 COC(=O)C(CC(=O)N)N Amb17601698 [1,1,0,0,0,0|2,0,0]=4 1258 B9R0.23 COC(=O)C(CC(=O)O)O Amb17615865 [1,1,0,0,0,0|0,0,0]=2 1259 B9R0.23 COC(=O)C(N)CC(O)=O Amb18644309 [1,1,0,0,0,0|1,0,0]=3 1260 B9R0.23 COC(=O)C(O)CN(C)O Amb24713209 [1,1,0,0,0,0|2,0,0]=4 1261 B9R0.23 COC(=O)C(O)CS(C)=O Amb25369004 [1,1,0,0,0,0|2,0,0]=4 1262 B9R0.23 COC(=O)[C@@H](C)CC(N)=O Amb24351411 [1,1,0,0,0,0|2,0,0]=4 1263 B9R0.23 COC(=O)[C@@H](C)CC(O)=O Amb22226152 [1,1,0,0,0,0|1,0,0]=3 1264 B9R0.23 COC(=O)[C@@H](CC(=O)O)O Amb17615866 [1,1,0,0,0,0|0,0,0]=2 1265 B9R0.23 COC(=O)[C@@H](N)CC(O)=O Amb22746069 [1,1,0,0,0,0|1,0,0]=3 1266 B9R0.23 COC(=O)[C@@H](N)CS(O)=O Amb24592787 [1,1,0,0,0,0|2,0,0]=4 1267 B9R0.23 COC(=O)[C@@H](O)CC(N)=O Amb25147368 [1,1,0,0,0,0|1,0,0]=3 1268 B9R0.23 COC(=O)[C@H](C)CC(N)=O Amb25824598 [1,1,0,0,0,0|2,0,0]=4 1269 B9R0.23 COC(=O)[C@H](C)CC(O)=O Amb24561954 [1,1,0,0,0,0|1,0,0]=3 1270 B9R0.23 COC(=O)[C@H](CC(=O)N)N Amb10844909 [1,1,0,0,0,0|2,0,0]=4 1271 B9R0.23 COC(=O)[C@H](CC(=O)O)O Amb17615867 [1,1,0,0,0,0|0,0,0]=2 1272 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [1,1,0,0,0,0|2,0,0]=4 1273 B9R0.23 COC(=O)[C@H](N)CC(O)=O Amb19944281 [1,1,0,0,0,0|1,0,0]=3 1274 B9R0.23 COC(O)C(O)CC(O)=O Amb24650997 [1,1,0,0,0,0|0,0,2]=4 1275 B9R0.23 C\C(=C/C)\C(O)CC(O)=O Amb18644100 [1,1,0,0,0,0|2,0,0]=4 1276 B9R0.23 NC(CC(O)=O)C(=O)O[Na] Amb22352689 [1,1,0,0,0,0|1,0,0]=3 1277 B9R0.23 NC(CC([O-])=O)C(=O)O[Cu+] Amb22540451 [1,1,0,0,0,0|1,0,1]=4 1278 B9R0.23 NCC(=O)C(N)CC(O)=O Amb24745663 [1,1,0,0,0,0|2,0,0]=4 1279 B9R0.23 NCC(=O)N(O)CC(O)=O Amb24480719 [1,1,0,0,0,0|2,0,0]=4 1280 B9R0.23 N[C@@H](CC(O)=O)C(=O)NO Amb25762946 [1,1,0,0,0,0|1,0,0]=3 1281 B9R0.23 OC(=O)CC(C(=O)CBr)Br Amb15772353 [1,1,0,0,0,0|2,0,0]=4 1282 B9R0.23 OC(=O)CC(Cl)C(=O)CCl Amb24426203 [1,1,0,0,0,0|2,0,0]=4 1283 B9R0.23 OC(=O)CC(O)C(=O)CO Amb25124913 [1,1,0,0,0,0|0,0,0]=2 1284 B9R0.23 OC(=O)C[C@H](O)C(=O)CO Amb25259211 [1,1,0,0,0,0|0,0,0]=2 1285 B9R0.23 OC[C@@H](O)[C@@H](O)CC(O)=O Amb24509722 [1,1,0,0,0,0|0,0,2]=4 1286 B9R0.23 OC[C@@H](O)[C@H](O)CC(O)=O Amb25258026 [1,1,0,0,0,0|0,0,2]=4 1287 B9R0.23 OC[C@H](O)[C@H](O)CC(O)=O Amb24726353 [1,1,0,0,0,0|0,0,2]=4 1288 B9R0.39 C=NC(CC(O)=O)C(O)=O Amb24350770 [1,1,0,0,0,0|1,0,0]=3 1289 B9R0.39 CC(=O)C(CC(O)=O)CC Amb24410015 [1,1,0,0,0,0|2,0,0]=4 1290 B9R0.39 CC(=O)C(CC(O)=O)NC Amb18611382 [1,1,0,0,0,0|2,0,0]=4 1291 B9R0.39 CC(=O)CC(CC)C(O)=O Amb18644109 [1,1,0,0,0,0|2,0,0]=4 1292 B9R0.39 CC(=O)CC(NC)C(O)=O Amb25690263 [1,1,0,0,0,0|2,0,0]=4 1293 B9R0.39 CC(=O)N[C@@H](CO)C(O)=O Amb22746917 [1,1,0,0,0,0|2,0,0]=4 1294 B9R0.39 CC(=O)N[C@H](CO)C(O)=O Amb22886955 [1,1,0,0,0,0|2,0,0]=4 1295 B9R0.39 CCC(C(=O)O)CC(=O)O Amb10071696 [1,1,0,0,0,0|1,0,0]=3 1296 B9R0.39 CCC(CP(O)=O)C(O)=O Amb24482481 [1,1,0,0,0,0|2,0,0]=4 1297 B9R0.39 CC[C@H](CC(O)=O)C(O)=O Amb24643194 [1,1,0,0,0,0|1,0,0]=3 1298 B9R0.39 CNC(C(=O)O)CC(=O)O Amb1905634 [1,1,0,0,0,0|1,0,0]=3 1299 B9R0.39 CNC(CC(N)=O)C(O)=O Amb18644255 [1,1,0,0,0,0|2,0,0]=4 1300 B9R0.39 CNC(CS(O)=O)C(O)=O Amb25765774 [1,1,0,0,0,0|2,0,0]=4 1301 B9R0.39 CN[C@@H](CC(O)=O)C(O)=O Amb22748003 [1,1,0,0,0,0|1,0,0]=3 1302 B9R0.39 CN[C@@H](CS(O)=O)C(O)=O Amb24482415 [1,1,0,0,0,0|2,0,0]=4 1303 B9R0.39 COC(=CC(O)=O)C(O)=O Amb24615646 [1,1,0,0,0,0|0,0,2]=4 1304 B9R0.39 COC(CC(N)=O)C(N)=O Amb24685112 [1,1,0,0,0,0|2,0,0]=4 1305 B9R0.39 COC(CC(O)=O)C(N)=O Amb23536075 [1,1,0,0,0,0|1,0,0]=3 1306 B9R0.39 COC(CC(O)=O)C(O)=O Amb18124863 [1,1,0,0,0,0|0,0,0]=2 1307 B9R0.39 COC(NC(N)=O)C(O)=O Amb18124866 [1,1,0,0,0,0|2,0,0]=4 1308 B9R0.39 CON(CC(O)=O)C(N)=O Amb24359859 [1,1,0,0,0,0|2,0,0]=4 1309 B9R0.39 CO[C@@H](CC(N)=O)C(N)=O Amb25268728 [1,1,0,0,0,0|2,0,0]=4 1310 B9R0.39 CO[C@@H](CC(O)=O)C(O)=O Amb25122107 [1,1,0,0,0,0|0,0,0]=2 1311 B9R0.39 CO\C(=C/C(O)=O)\C(O)=O Amb24480750 [1,1,0,0,0,0|0,0,2]=4 1312 B9R0.39 CSC(CC(N)=O)C(O)=O Amb25694730 [1,1,0,0,0,0|1,1,0]=4 1313 B9R0.39 CSC(CC(O)=O)C(O)=O Amb18646024 [1,1,0,0,0,0|0,1,0]=3 1314 B9R0.39 CS[C@@H](CC(O)=O)C(O)=O Amb25191487 [1,1,0,0,0,0|0,1,0]=3 1315 B9R0.39 CS[C@H](CC(N)=O)C(O)=O Amb25101496 [1,1,0,0,0,0|1,1,0]=4 1316 B9R0.39 CS[C@H](CC(O)=O)C(O)=O Amb24423669 [1,1,0,0,0,0|0,1,0]=3 1317 B9R0.39 C\C=C(\CC(O)=O)/C(O)=O Amb25292254 [1,1,0,0,0,0|1,0,1]=4 1318 B9R0.39 N#CC(CC(O)=O)C(O)=O Amb24434922 [1,1,0,0,0,0|1,0,0]=3 1319 B9R0.39 NC(=O)N[C@@H](CO)C(O)=O Amb24505082 [1,1,0,0,0,0|2,0,0]=4 1320 B9R0.39 NC(=O)N[C@H](CO)C(O)=O Amb25147528 [1,1,0,0,0,0|2,0,0]=4 1321 B9R0.39 NCC(CC(O)=O)C(O)=O Amb22546423 [1,1,0,0,0,0|1,0,0]=3 1322 B9R0.39 NCC(CC(O)=O)C(O)=O Amb24538047 [1,1,0,0,0,0|1,0,0]=3 1323 B9R0.39 NC[C@H](CC(O)=O)C(O)=O Amb25147272 [1,1,0,0,0,0|1,0,0]=3 1324 B9R0.39 NN[C@@H](CC(O)=O)C(O)=O Amb24117193 [1,1,0,0,0,0|1,0,0]=3 1325 B9R0.39 OC(=O)C(CBr)CC(O)=O Amb22752144 [1,1,0,0,0,0|1,0,0]=3 1326 B9R0.39 OC(=O)C(CC(O)=O)=CBr Amb25225990 [1,1,0,0,0,0|1,0,1]=4 1327 B9R0.39 OC(=O)C(CC(O)=O)=CCl Amb25321956 [1,1,0,0,0,0|1,0,1]=4 1328 B9R0.39 OC(=O)C(CC(O)=O)C=O Amb24732382 [1,1,0,0,0,0|0,0,1]=3 1329 B9R0.39 OC(=O)C(CC(O)=O)NO Amb24685872 [1,1,0,0,0,0|0,0,0]=2 1330 B9R0.39 OC(=O)C(CC(O)=O)NS Amb25808901 [1,1,0,0,0,0|0,1,0]=3 1331 B9R0.39 OC(=O)C(CCl)CC(O)=O Amb25840030 [1,1,0,0,0,0|1,0,0]=3 1332 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24117497 [1,1,0,0,0,0|0,0,0]=2 1333 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24630025 [1,1,0,0,0,0|0,0,0]=2 1334 B9R0.39 OC(=O)\C(\CC(O)=O)=C\Br Amb25758898 [1,1,0,0,0,0|1,0,1]=4 1335 B9R0.39 OC(=O)\C(\CC(O)=O)=N\O Amb24117074 [1,1,0,0,0,0|0,0,1]=3 1336 B9R0.39 OCC(C(=O)O)NC(=O)C Amb1115493 [1,1,0,0,0,0|2,0,0]=4 1337 B9R0.39 OCC(C(=O)O)NC(=O)N Amb1055147 [1,1,0,0,0,0|2,0,0]=4 1338 B9R0.39 OCC(CC(O)=O)C(O)=O Amb24629722 [1,1,0,0,0,0|0,0,0]=2 1339 B9R0.42 CC(=O)C(Cl)CC(=O)OC Amb25061154 [1,1,0,0,0,0|2,0,0]=4 1340 B9R0.42 CC(=O)C(N)CC(=O)OC Amb24529258 [1,1,0,0,0,0|2,0,0]=4 1341 B9R0.42 CC(=O)C(O)CC(=O)CC Amb24467028 [1,1,0,0,0,0|2,0,0]=4 1342 B9R0.42 CC(=O)C(O)CC(=O)OC Amb25146688 [1,1,0,0,0,0|1,0,0]=3 1343 B9R0.42 CC(CC(=O)CCl)C(O)=O Amb24585160 [1,1,0,0,0,0|2,0,0]=4 1344 B9R0.42 CC(CC(=O)CN)C(O)=O Amb25758299 [1,1,0,0,0,0|2,0,0]=4 1345 B9R0.42 CC(CC(O)C(O)=O)=NO Amb25291967 [1,1,0,0,0,0|1,0,0]=3 1346 B9R0.42 CC(OC(=O)CO)C(O)=O Amb24480687 [1,1,0,0,0,0|2,0,0]=4 1347 B9R0.42 CCC(=C)CC(O)C(O)=O Amb25200851 [1,1,0,0,0,0|2,0,0]=4 1348 B9R0.42 CCC(=O)CC(N)C(O)=O Amb22546324 [1,1,0,0,0,0|2,0,0]=4 1349 B9R0.42 CCC(=O)CC(N)C(O)=O Amb24479073 [1,1,0,0,0,0|2,0,0]=4 1350 B9R0.42 CCC(=O)C[C@@H](C)C(O)=O Amb24680887 [1,1,0,0,0,0|2,0,0]=4 1351 B9R0.42 CCC(=O)C[C@H](N)C(O)=O Amb24479266 [1,1,0,0,0,0|2,0,0]=4 1352 B9R0.42 CCN(O)CC(O)C(O)=O Amb24699297 [1,1,0,0,0,0|2,0,0]=4 1353 B9R0.42 CNC(=O)C[C@@H](N)C(O)=O Amb20240891 [1,1,0,0,0,0|2,0,0]=4 1354 B9R0.42 CNC(=O)C[C@H](N)C(O)=O Amb20242140 [1,1,0,0,0,0|2,0,0]=4 1355 B9R0.42 COC(=O)CC(=O)C(O)=O Amb22728219 [1,1,0,0,0,0|0,0,2]=4 1356 B9R0.42 COC(=O)CC(Br)C(O)=O Amb18656998 [1,1,0,0,0,0|1,0,0]=3 1357 B9R0.42 COC(=O)CC(C(=O)C)Br Amb17403794 [1,1,0,0,0,0|2,0,0]=4 1358 B9R0.42 COC(=O)CC(C)C(N)=O Amb24604307 [1,1,0,0,0,0|2,0,0]=4 1359 B9R0.42 COC(=O)CC(C)C(O)=O Amb18644239 [1,1,0,0,0,0|1,0,0]=3 1360 B9R0.42 COC(=O)CC(N)C(O)=O Amb22489498 [1,1,0,0,0,0|1,0,0]=3 1361 B9R0.42 COC(=O)CC(O)C(O)=O Amb25786182 [1,1,0,0,0,0|0,0,0]=2 1362 B9R0.42 COC(=O)C[C@@H](C(=O)O)N Amb13884879 [1,1,0,0,0,0|1,0,0]=3 1363 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl Amb24556752 [1,1,0,0,0,0|2,0,0]=4 1364 B9R0.42 COC(=O)C[C@@H](N)C(O)=O Amb22745861 [1,1,0,0,0,0|1,0,0]=3 1365 B9R0.42 COC(=O)C[C@@H](O)C(O)=O Amb23603858 [1,1,0,0,0,0|0,0,0]=2 1366 B9R0.42 COC(=O)C[C@H](Br)C(N)=O Amb25326024 [1,1,0,0,0,0|2,0,0]=4 1367 B9R0.42 COC(=O)C[C@H](O)C(O)=O Amb25367304 [1,1,0,0,0,0|0,0,0]=2 1368 B9R0.42 COC(=O)C[C@H]([NH3+])C(=O)O Amb10574406 [1,1,0,0,0,0|1,0,0]=3 1369 B9R0.42 COC(=O)N[C@@H](C)C(O)=O Amb24477985 [1,1,0,0,0,0|2,0,0]=4 1370 B9R0.42 COC(=O)N[C@H](C)C(O)=O Amb24381066 [1,1,0,0,0,0|2,0,0]=4 1371 B9R0.42 C[C@H](OC(=O)CO)C(O)=O Amb24469338 [1,1,0,0,0,0|2,0,0]=4 1372 B9R0.42 NC(CC(=O)CBr)C(O)=O Amb24477386 [1,1,0,0,0,0|2,0,0]=4 1373 B9R0.42 NC(CC(=O)CCl)C(O)=O Amb24061070 [1,1,0,0,0,0|2,0,0]=4 1374 B9R0.42 NC(CC(=O)CO)C(O)=O Amb18644310 [1,1,0,0,0,0|1,0,0]=3 1375 B9R0.42 NC(CC(=O)NCl)C(O)=O Amb24454054 [1,1,0,0,0,0|2,0,0]=4 1376 B9R0.42 NC(CC(=O)NO)C(O)=O Amb22349932 [1,1,0,0,0,0|1,0,0]=3 1377 B9R0.42 NCC(=O)CC(F)C(O)=O Amb25367166 [1,1,0,0,0,0|2,0,0]=4 1378 B9R0.42 NCC(=O)CC(N)C(O)=O Amb24462002 [1,1,0,0,0,0|2,0,0]=4 1379 B9R0.42 NCC(=O)C[C@H](N)C(O)=O Amb25757838 [1,1,0,0,0,0|2,0,0]=4 1380 B9R0.42 NC[C@H](O)C[C@H](O)C(O)=O Amb24383534 [1,1,0,0,0,0|1,0,1]=4 1381 B9R0.42 NNC(=O)C[C@H](N)C(O)=O Amb24680907 [1,1,0,0,0,0|2,0,0]=4 1382 B9R0.42 N[C@@H](CC(=O)CBr)C(O)=O Amb24477399 [1,1,0,0,0,0|2,0,0]=4 1383 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O Amb25367252 [1,1,0,0,0,0|1,0,1]=4 1384 B9R0.42 N[C@H](CC(=O)NO)C(O)=O Amb24451287 [1,1,0,0,0,0|1,0,0]=3 1385 B9R0.42 O=NN(CC(C(=O)O)N)O Amb17607757 [1,1,0,0,0,0|2,0,0]=4 1386 B9R0.42 O=NN(C[C@@H](C(=O)O)N)O Amb17607759 [1,1,0,0,0,0|2,0,0]=4 1387 B9R0.42 O=[15N][15N](CC(C(=O)O)N)O Amb17607758 [1,1,0,0,0,0|2,0,0]=4 1388 B9R0.42 OC(=O)C(O)CC(=O)CBr Amb24477419 [1,1,0,0,0,0|1,0,0]=3 1389 B9R0.42 OCC(O)CC(O)C(O)=O Amb18644410 [1,1,0,0,0,0|0,0,2]=4 1390 B9R0.42 OC[C@@H](O)C[C@@H](O)C(O)=O Amb25227512 [1,1,0,0,0,0|0,0,2]=4 1391 B9R0.42 OC[C@@H](O)C[C@H](O)C(O)=O Amb25336564 [1,1,0,0,0,0|0,0,2]=4 1392 B9R0.42 OC[C@H](O)C[C@@H](O)C(O)=O Amb25774509 [1,1,0,0,0,0|0,0,2]=4 1393 B9R0.57 CC(CS(O)(=O)=O)C(O)=O Amb25101588 [1,1,0,0,0,0|2,0,0]=4 1394 B9R0.57 CS(=O)(=O)CC(O)C(O)=O Amb24398186 [1,1,0,0,0,0|1,0,1]=4 1395 B9R0.57 NC(CS(O)(=O)=O)C(O)=O Amb21929317 [1,1,0,0,0,0|2,0,0]=4 1396 B9R0.57 N[C@@H](CS(O)(=O)=O)C(O)=O Amb17942867 [1,1,0,0,0,0|2,0,0]=4 1397 B9R0.57 OC(=O)[C@H](C[C](=O)(O)C)N Amb10604178 [1,1,0,0,0,0|1,0,1]=4 1398 B9R0.57 OC(CS(O)(=O)=O)C(O)=O Amb20247567 [1,1,0,0,0,0|1,0,0]=3 1399 B9R0.57 OC(OP(O)(O)=O)C(O)=O Amb25380880 [1,1,0,0,0,0|2,0,0]=4 1400 B9R0.57 O[C@H](CS(O)(=O)=O)C(O)=O Amb24482388 [1,1,0,0,0,0|1,0,0]=3 1401 B11R0.206 OC(C(O)=C(O)C(O)=O)C(O)=O Amb24366635 [0,1,0,0,0,1|0,0,1]=3 1402 B11R0.206 [O-]C(=O)C(O)C(O)C(O)C([O-])=O Amb23478773 [0,1,0,0,0,1|0,0,2]=4 1403 B11R0.335 [2H]C([2H])(CC(O)=O)C(N)C(O)=O Amb22367249 [0,1,0,0,0,1|2,0,0]=4 1404 B11R0.117 CC(CC(C)C(=O)OC)C(O)=O Amb18647808 [0,1,0,0,0,1|2,0,0]=4 1405 B11R0.169 CC(C(=O)O)SC(C(=O)O)(C)C Amb17501629 [0,1,0,0,0,1|2,0,0]=4 1406 B11R0.169 CC(C)(C[C@@H](N)C(O)=O)C(O)=O Amb19131979 [0,1,0,0,0,1|2,0,0]=4 1407 B11R0.169 NC(C(=O)O)CC(C(=O)O)(F)F Amb16185493 [0,1,0,0,0,1|2,0,0]=4 1408 B11R0.169 N[C@@H](CC(F)(F)C(O)=O)C(O)=O Amb19375300 [0,1,0,0,0,1|2,0,0]=4 1409 B11R0.275 CCC(C(=O)O)SC(C(=O)O)C Amb17501326 [0,1,0,0,0,1|2,0,0]=4 1410 B11R0.66 CC(C(C)C(=O)NO)C(=O)NO Amb24363524 [0,2,0,0,0,0|2,0,0]=4 1411 B11R0.66 CNC(=O)C(C(C(=O)NC)O)O Amb1144477 [0,2,0,0,0,0|2,0,0]=4 1412 B11R0.66 CNC(=O)[C@H](O)[C@@H](O)C(=O)NC Amb25859206 [0,2,0,0,0,0|2,0,0]=4 1413 B11R0.66 COC(=O)C(C(C(=O)OC)F)Br Amb10845730 [0,2,0,0,0,0|2,0,0]=4 1414 B11R0.66 COC(=O)C(C(C(=O)OC)O)O Amb1781465 [0,2,0,0,0,0|0,0,0]=2 1415 B11R0.66 COC(=O)[C@@H](Br)[C@@H](F)C(=O)OC Amb22735469 [0,2,0,0,0,0|2,0,0]=4 1416 B11R0.66 COC(=O)[C@@H](O)[C@@H](O)C(=O)OC Amb22747698 [0,2,0,0,0,0|0,0,0]=2 1417 B11R0.66 COC(=O)\C(\O)=C(/O)\C(=O)OC Amb20240781 [0,2,0,0,0,0|0,0,2]=4 1418 B11R0.66 NC(C(Cl)C(=O)NO)C(=O)NO Amb24595831 [0,2,0,0,0,0|2,0,0]=4 1419 B11R0.66 NNC(=O)[C@@H](O)[C@H](O)C(=O)NN Amb25334741 [0,2,0,0,0,0|2,0,0]=4 1420 B11R0.66 NNC(=O)[C@H](O)[C@@H](O)C(=O)NN Amb25368294 [0,2,0,0,0,0|2,0,0]=4 1421 B11R0.66 OC[C@@H]([C@H]([C@@H](C(=O)CO)O)O)O Amb10838112 [0,2,0,0,0,0|0,0,2]=4 1422 B11R0.66 O[C@@H](CO)[C@H](O)[C@@H](O)C(=O)CO Amb19930183 [0,2,0,0,0,0|0,0,2]=4 1423 B11R0.66 O[C@H](CO)[C@@H](O)[C@@H](O)C(=O)CO Amb22230605 [0,2,0,0,0,0|0,0,2]=4 1424 B11R0.66 O[C@H](CO)[C@@H](O)[C@H](O)C(=O)CO Amb22230516 [0,2,0,0,0,0|0,0,2]=4 1425 B11R0.66 O[C@H](CO)[C@H](O)[C@@H](O)C(=O)CO Amb22230608 [0,2,0,0,0,0|0,0,2]=4 1426 B11R0.66 O[C@H]([C@@H](O)C(=O)NO)C(=O)NO Amb25158050 [0,2,0,0,0,0|0,0,0]=2 1427 B11R0.296 CCC(C(CC)C(O)=O)C(O)=O Amb18647820 [0,2,0,0,0,0|2,0,0]=4 1428 B11R0.317 CC(C)[C@@H]([C@H](O)C(O)=O)C(O)=O Amb24117453 [0,2,0,0,0,0|1,0,0]=3 1429 B11R0.198 CC(=O)C(C(C(=O)C)(O)C)(O)C Amb17594380 [0,2,0,0,0,0|2,0,0]=4 1430 B11R0.198 CC(Cl)(C(O)=O)C(C)(Cl)C(O)=O Amb24680231 [0,2,0,0,0,0|2,0,0]=4 1431 B11R0.198 CC(N)(C(O)=O)C(C)(N)C(O)=O Amb18647946 [0,2,0,0,0,0|2,0,0]=4 1432 B11R0.198 CC(O)(C(O)=O)C(C)(O)C(O)=O Amb18648093 [0,2,0,0,0,0|0,0,0]=2 1433 B11R0.198 C[C@@](N)(C(O)=O)[C@](C)(N)C(O)=O Amb25331126 [0,2,0,0,0,0|2,0,0]=4 1434 B11R0.198 C[C@@](O)(C(C)=O)[C@](C)(O)C(C)=O Amb24645442 [0,2,0,0,0,0|2,0,0]=4 1435 B11R0.198 C[C@@](O)(C(O)=O)[C@](C)(O)C(O)=O Amb24423911 [0,2,0,0,0,0|0,0,0]=2 1436 B11R0.198 OC(=O)C(F)(Cl)C(F)(F)C(O)=O Amb22411294 [0,2,0,0,0,0|2,0,0]=4 1437 B11R0.198 OC(O)(C(O)=O)C(O)(O)C(O)=O Amb22168362 [0,2,0,0,0,0|0,0,0]=2 1438 B11R0.198 [2H]C([2H])(C(O)=O)C([2H])(N)C(O)=O Amb22336772 [0,2,0,0,0,0|2,0,0]=4 1439 B11R0.198 [2H]C([2H])(C(O)=O)C([2H])(O)C(O)=O Amb22338980 [0,2,0,0,0,0|1,0,0]=3 1440 B11R0.198 [2H]C([2H])(C(O)=O)C([2H])([2H])C(O)=O Amb22363164 [0,2,0,0,0,0|2,0,0]=4 1441 B11R0.198 [2H][13C]([2H])([13C](O)=O)[13C@]([2H])([15NH2])[13C](O)=O Amb22337018 [0,2,0,0,0,0|2,0,0]=4 1442 B11R0.198 [O-]C(=O)C(O)(O)C(O)(O)C([O-])=O Amb22733043 [0,2,0,0,0,0|0,0,2]=4 1443 B9R1.3 OC1CCOC(=O)C1O Amb24735003 [1,0,0,1,0,0|1,0,1]=4 1444 B9R1.37 CC1C(N)C(=O)OC1=O Amb24549009 [1,0,0,1,0,0|2,0,0]=4 1445 B9R1.37 CC1C(O)C(=O)NC1=O Amb24749603 [1,0,0,1,0,0|2,0,0]=4 1446 B9R1.37 CC1OC(=O)C(O)C1O Amb25137171 [1,0,0,1,0,0|1,0,1]=4 1447 B9R1.37 CC=1OC(=O)C(O)C1O Amb25769590 [1,0,0,1,0,0|1,0,1]=4 1448 B9R1.37 C[C@@H]1OC(=O)C(O)C1O Amb24605729 [1,0,0,1,0,0|1,0,1]=4 1449 B9R1.37 C[C@@H]1OC(=O)[C@@H](O)[C@H]1O Amb25261892 [1,0,0,1,0,0|1,0,1]=4 1450 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb25327544 [1,0,0,1,0,0|1,0,1]=4 1451 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb24714713 [1,0,0,1,0,0|1,0,1]=4 1452 B9R1.37 C[C@H]1OC(=O)C(O)C1O Amb24527858 [1,0,0,1,0,0|1,0,1]=4 1453 B9R1.37 O=C1OC(=O)C(Br)C1Br Amb22339491 [1,0,0,1,0,0|2,0,0]=4 1454 B9R1.37 O=C1OC(=O)C(Br)C1Cl Amb25119148 [1,0,0,1,0,0|2,0,0]=4 1455 B9R1.37 O=C1OC(=O)[C@H](Cl)[C@H]1Cl Amb25257992 [1,0,0,1,0,0|2,0,0]=4 1456 B9R1.37 OC1C(O)C(=O)OC1=O Amb25188995 [1,0,0,1,0,0|0,0,0]=2 1457 B9R1.37 OC1OC(=O)C(O)C1O Amb24419120 [1,0,0,1,0,0|0,0,1]=3 1458 B9R1.37 O[C@@H]1[C@@H](O)C(=O)NC1=O Amb25359783 [1,0,0,1,0,0|1,0,0]=3 1459 B9R1.37 O[C@H]1[C@H](O)C(=O)NC1=O Amb24545319 [1,0,0,1,0,0|1,0,0]=3 1460 B9R1.55 CC1C(NC1=O)C(O)=O Amb25339232 [1,0,0,1,0,0|2,0,0]=4 1461 B9R1.93 CC1(OC1CO)C(O)=O Amb24746000 [1,0,0,1,0,0|1,0,1]=4 1462 B9R1.96 OC(=O)C1CCC1C=O Amb25302625 [1,0,0,1,0,0|2,0,0]=4 1463 B9R1.111 CC1(CO1)C(O)C(O)=O Amb24590009 [1,0,0,1,0,0|1,0,1]=4 1464 B9R1.111 C[C@]1(CO1)[C@H](O)C(O)=O Amb25174908 [1,0,0,1,0,0|1,0,1]=4 1465 B9R1.132 O[C@@H]1[C@@H](C=O)OC[C@H]1O Amb24629264 [1,0,0,1,0,0|1,0,1]=4 1466 B9R1.132 O[C@@H]1[C@H](C=O)OC[C@H]1O Amb24611196 [1,0,0,1,0,0|1,0,1]=4 1467 B9R1.132 O[C@H]1[C@H](COC1=O)CO Amb24733237 [1,0,0,1,0,0|1,0,1]=4 1468 B9R1.159 CC1(N=CC1O)C(O)=O Amb24078332 [1,0,0,1,0,0|2,0,0]=4 1469 B9R1.159 OC1CCC1(O)C(O)=O Amb24477886 [1,0,0,1,0,0|1,0,1]=4 1470 B9R1.35 CC(=O)[C@@H]1CC(=O)OC1 Amb18832647 [1,0,0,1,0,0|2,0,0]=4 1471 B9R1.35 CC(=O)[C@H]1CC(=O)OC1 Amb24390313 [1,0,0,1,0,0|2,0,0]=4 1472 B9R1.35 CC=1C[C@H](ON1)C(O)=O Amb25189709 [1,0,0,1,0,0|2,0,0]=4 1473 B9R1.35 O=C1CC(CO1)C(=O)Cl Amb25146217 [1,0,0,1,0,0|2,0,0]=4 1474 B9R1.35 O=C1NCC(C1)C(=O)O Amb1129202 [1,0,0,1,0,0|2,0,0]=4 1475 B9R1.35 O=C1OCC(N1)C(=O)O Amb15701690 [1,0,0,1,0,0|2,0,0]=4 1476 B9R1.35 O=C1SCC(C1)C(=O)O Amb10073724 [1,0,0,1,0,0|1,1,0]=4 1477 B9R1.35 OC(=O)C1CC(=O)CS1 Amb24061425 [1,0,0,1,0,0|1,1,0]=4 1478 B9R1.35 OC(=O)C1CC(=O)NN1 Amb18642739 [1,0,0,1,0,0|2,0,0]=4 1479 B9R1.35 OC(=O)C1CC(=O)OC1 Amb22642307 [1,0,0,1,0,0|1,0,0]=3 1480 B9R1.35 OC(=O)C1COC(=O)N1 Amb24288785 [1,0,0,1,0,0|2,0,0]=4 1481 B9R1.35 OC(=O)C1COC(=O)O1 Amb25767974 [1,0,0,1,0,0|2,0,0]=4 1482 B9R1.35 OC(=O)C=1CC(=O)ON1 Amb25700026 [1,0,0,1,0,0|1,0,1]=4 1483 B9R1.35 OC(=O)[C@@H]1CC(=O)CC1 Amb22746923 [1,0,0,1,0,0|2,0,0]=4 1484 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb19516117 [1,0,0,1,0,0|2,0,0]=4 1485 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb22747440 [1,0,0,1,0,0|2,0,0]=4 1486 B9R1.35 OC(=O)[C@@H]1CC(=O)NC1 Amb23439643 [1,0,0,1,0,0|2,0,0]=4 1487 B9R1.35 OC(=O)[C@@H]1COC(=O)N1 Amb19517080 [1,0,0,1,0,0|2,0,0]=4 1488 B9R1.35 OC(=O)[C@H]1CC(=O)CN1 Amb25360885 [1,0,0,1,0,0|2,0,0]=4 1489 B9R1.35 OC(=O)[C@H]1COC(=O)N1 Amb24340149 [1,0,0,1,0,0|2,0,0]=4 1490 B9R1.35 OC1COC(C1)C(O)=O Amb18642869 [1,0,0,1,0,0|1,0,1]=4 1491 B9R1.35 O[C@@H]1CO[C@@H](C1)C(O)=O Amb24501449 [1,0,0,1,0,0|1,0,1]=4 1492 B9R1.35 O[C@@H]1CO[C@H](C1)C(O)=O Amb24501448 [1,0,0,1,0,0|1,0,1]=4 1493 B9R1.69 OC1COC(=O)CC1O Amb25057673 [1,0,0,1,0,0|1,0,1]=4 1494 B9R1.137 OC(CC(O)=O)C1CO1 Amb25854287 [1,0,0,1,0,0|1,0,1]=4 1495 B9R1.152 CC(=O)[C@]1(C)CC(=O)O1 Amb24340260 [1,0,0,1,0,0|2,0,0]=4 1496 B9R1.152 CC1(CC(=O)C1)C(O)=O Amb22406208 [1,0,0,1,0,0|2,0,0]=4 1497 B9R1.161 CC(=O)C1OC1C(O)=O Amb25233192 [1,0,0,1,0,0|1,0,0]=3 1498 B9R1.161 CC(O)C1OC1C(O)=O Amb25227852 [1,0,0,1,0,0|1,0,1]=4 1499 B9R1.161 C[C@@H](O)[C@H]1O[C@@H]1C(O)=O Amb25224671 [1,0,0,1,0,0|1,0,1]=4 1500 B9R1.161 C[C@H](O)[C@@H]1O[C@@H]1C(O)=O Amb25368573 [1,0,0,1,0,0|1,0,1]=4 1501 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|2,0,0]=4 1502 B9R1.161 NC(=O)C1OC1C(O)=O Amb25695985 [1,0,0,1,0,0|1,0,0]=3 1503 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(O)=O Amb24623178 [1,0,0,1,0,0|2,0,0]=4 1504 B9R1.161 NC(=O)[C@H]1O[C@H]1C(O)=O Amb25174864 [1,0,0,1,0,0|1,0,0]=3 1505 B9R1.161 O=C(Cl)C1OC1C(=O)Cl Amb24060960 [1,0,0,1,0,0|2,0,0]=4 1506 B9R1.161 OC(=O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|1,0,0]=3 1507 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25175103 [1,0,0,1,0,0|2,0,0]=4 1508 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)Cl Amb24402096 [1,0,0,1,0,0|2,0,0]=4 1509 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(O)=O Amb22901897 [1,0,0,1,0,0|1,0,0]=3 1510 B9R1.161 OC(=O)[C@@H]1O[C@H]1C(O)=O Amb22799776 [1,0,0,1,0,0|0,0,0]=2 1511 B9R1.161 OC(=O)[C@H]1O[C@@H]1C(O)=O Amb22262951 [1,0,0,1,0,0|0,0,0]=2 1512 B9R1.161 [O-]C(=O)[C@@H]1O[C@@H]1C(=O)[O-] Amb17608755 [1,0,0,1,0,0|0,0,2]=4 1513 B11R1.313 NC1[C@H](CC(O)=O)ONC1=O Amb25255749 [0,0,0,1,0,1|2,0,0]=4 1514 B11R1.314 NC(C1CC(O)=NO1)C(O)=O Amb24484694 [0,0,0,1,0,1|2,0,0]=4 1515 B11R1.314 N[C@@H]([C@@H]1CC(O)=NO1)C(O)=O Amb25210833 [0,0,0,1,0,1|2,0,0]=4 1516 B11R1.314 N[C@@H]([C@H]1CC(O)=NO1)C(O)=O Amb25242466 [0,0,0,1,0,1|2,0,0]=4 1517 B11R1.314 N[C@H]([C@H]1CC(=O)NO1)C(O)=O Amb24391177 [0,0,0,1,0,1|2,0,0]=4 1518 B11R1.314 OC(=O)C(O)C1C=CC(=O)O1 Amb24355325 [0,0,0,1,0,1|2,0,0]=4 1519 B11R1.314 OC(=O)C(O)C1CCC(=O)O1 Amb24691407 [0,0,0,1,0,1|2,0,0]=4 1520 B11R1.314 OC(=O)[C@H](O)[C@@H]1CC(=O)C=C1 Amb24539294 [0,0,0,1,0,1|2,0,0]=4 1521 B11R1.490 CC1CC(=O)OC1(C)C(O)=O Amb18644983 [0,0,0,1,0,1|2,0,0]=4 1522 B11R1.490 C[C@@H]1CC(=O)O[C@]1(C)C(O)=O Amb25238261 [0,0,0,1,0,1|2,0,0]=4 1523 B11R1.672 CC(=C)C1OC(=O)C(O)C1O Amb25152083 [0,0,0,1,0,1|2,0,0]=4 1524 B11R1.672 CC(=C)[C@H]1OC(=O)[C@H](O)[C@H]1O Amb25332226 [0,0,0,1,0,1|2,0,0]=4 1525 B11R1.672 CC1C(OC(=O)C1C)C(O)=O Amb25111156 [0,0,0,1,0,1|2,0,0]=4 1526 B11R1.672 CC1C(OC(=O)C1O)C(O)=O Amb25191183 [0,0,0,1,0,1|1,0,0]=3 1527 B11R1.672 C[C@@H](O)[C@@H]1OC(=O)C(O)C1O Amb25226343 [0,0,0,1,0,1|1,0,1]=4 1528 B11R1.672 C[C@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O Amb24675447 [0,0,0,1,0,1|1,0,1]=4 1529 B11R1.672 NC1C(O)[C@H](NC1=O)C(O)=O Amb24582227 [0,0,0,1,0,1|2,0,0]=4 1530 B11R1.672 OC(=O)[C@@H]1OC(=O)[C@@H](O)[C@H]1O Amb24711456 [0,0,0,1,0,1|0,0,0]=2 1531 B11R1.672 OC(=O)[C@H]1NC(=O)[C@@H](O)[C@H]1O Amb25241663 [0,0,0,1,0,1|1,0,0]=3 1532 B11R1.672 OC(O)C1OC(=O)C(O)C1O Amb25280237 [0,0,0,1,0,1|0,0,2]=4 1533 B11R1.672 OC1C(O)OC(C1O)C(O)=O Amb24445981 [0,0,0,1,0,1|0,0,2]=4 1534 B11R1.672 O[C@@H]1[C@@H](O)O[C@@H]([C@@H]1O)C(O)=O Amb25363244 [0,0,0,1,0,1|0,0,2]=4 1535 B11R1.672 O[C@@H]1[C@H](O)C[C@H]([C@H]1O)C(O)=O Amb25176132 [0,0,0,1,0,1|1,0,1]=4 1536 B11R1.672 O[C@@H]1[C@H](O)[C@H](OC1=O)C(O)Br Amb25227660 [0,0,0,1,0,1|1,0,1]=4 1537 B11R1.672 O[C@H]1C(O)OC([C@@H]1O)C(O)=O Amb25302346 [0,0,0,1,0,1|0,0,2]=4 1538 B11R1.672 O[C@H]1[C@@H](O)O[C@@H]([C@@H]1O)C(O)=O Amb24739647 [0,0,0,1,0,1|0,0,2]=4 1539 B11R1.672 O[C@H]1[C@@H](O)O[C@@H]([C@H]1O)C(O)=O Amb25361091 [0,0,0,1,0,1|0,0,2]=4 1540 B11R1.704 NC(C1CC1C(O)=O)C(O)=O Amb24447417 [0,0,0,1,0,1|2,0,0]=4 1541 B11R1.704 NC(C1C[C@@H]1C(O)=O)C(O)=O Amb25689113 [0,0,0,1,0,1|2,0,0]=4 1542 B11R1.704 N[C@@H](C1CC1C(O)=O)C(O)=O Amb25794472 [0,0,0,1,0,1|2,0,0]=4 1543 B11R1.704 N[C@@H]([C@@H]1CC1C(O)=O)C(O)=O Amb24512148 [0,0,0,1,0,1|2,0,0]=4 1544 B11R1.704 N[C@@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb22352678 [0,0,0,1,0,1|2,0,0]=4 1545 B11R1.704 N[C@@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25210847 [0,0,0,1,0,1|2,0,0]=4 1546 B11R1.704 N[C@@H]([C@H]1CC1C(O)=O)C(O)=O Amb25273752 [0,0,0,1,0,1|2,0,0]=4 1547 B11R1.704 N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O Amb19930360 [0,0,0,1,0,1|2,0,0]=4 1548 B11R1.704 N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb22388556 [0,0,0,1,0,1|2,0,0]=4 1549 B11R1.704 N[C@H]([C@@H]1CC1C(O)=O)C(O)=O Amb25274088 [0,0,0,1,0,1|2,0,0]=4 1550 B11R1.704 N[C@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb25274089 [0,0,0,1,0,1|2,0,0]=4 1551 B11R1.704 N[C@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25242512 [0,0,0,1,0,1|2,0,0]=4 1552 B11R1.704 N[C@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb24692814 [0,0,0,1,0,1|2,0,0]=4 1553 B11R1.708 OC(=O)CC1CCC1C(O)=O Amb25758770 [0,0,0,1,0,1|2,0,0]=4 1554 B11R1.708 OC(=O)C[C@@H]1CC[C@H]1C(O)=O Amb24612096 [0,0,0,1,0,1|2,0,0]=4 1555 B11R1.708 OC(=O)C[C@@H]1CN[C@H]1C(O)=O Amb19131121 [0,0,0,1,0,1|2,0,0]=4 1556 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb19148343 [0,0,0,1,0,1|2,0,0]=4 1557 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb25321870 [0,0,0,1,0,1|2,0,0]=4 1558 B11R1.927 N[C@]1(C[C@H]1CC(O)=O)C(O)=O Amb25179270 [0,0,0,1,0,1|2,0,0]=4 1559 B11R1.1293 CC1C(C(O)=O)C1(C)C(O)=O Amb25201988 [0,0,0,1,0,1|2,0,0]=4 1560 B11R1.1293 C[C@@H]1[C@@H](C(O)=O)[C@@]1(C)C(O)=O Amb24512172 [0,0,0,1,0,1|2,0,0]=4 1561 B11R1.1293 C[C@@H]1[C@@H](C(O)=O)[C@@]1(Cl)C(O)=O Amb24512150 [0,0,0,1,0,1|2,0,0]=4 1562 B11R1.1293 C[C@@H]1[C@@H](C(O)=O)[C@]1(Cl)C(O)=O Amb24626629 [0,0,0,1,0,1|2,0,0]=4 1563 B11R1.1293 C[C@H]1[C@@H](C(O)=O)[C@@]1(Cl)C(O)=O Amb25361066 [0,0,0,1,0,1|2,0,0]=4 1564 B11R1.21 CC1CC(COC1=O)C(O)=O Amb24442976 [0,0,0,1,0,1|2,0,0]=4 1565 B11R1.175 CC(=O)C1CC(CO1)C(O)=O Amb24374536 [0,0,0,1,0,1|2,0,0]=4 1566 B11R1.175 OC(=O)C1C=CC(O1)C(O)=O Amb24433954 [0,0,0,1,0,1|2,0,0]=4 1567 B11R1.175 OC(=O)C1CC(CO1)C(O)=O Amb23454154 [0,0,0,1,0,1|1,0,0]=3 1568 B11R1.175 OC(=O)C1CC(CS1)C(O)=O Amb18647960 [0,0,0,1,0,1|1,1,0]=4 1569 B11R1.175 OC(=O)C1CC(SS1)C(O)=O Amb24433441 [0,0,0,1,0,1|0,2,0]=4 1570 B11R1.175 OC(=O)C1CCC(C1)C(=O)O Amb2505466 [0,0,0,1,0,1|2,0,0]=4 1571 B11R1.175 OC(=O)C1CCC(O1)C(O)=O Amb18126226 [0,0,0,1,0,1|2,0,0]=4 1572 B11R1.175 OC(=O)C1SCC(N1)C(=O)O Amb2421539 [0,0,0,1,0,1|1,1,0]=4 1573 B11R1.175 OC(=O)C=1CC(OC1)C(O)=O Amb25780021 [0,0,0,1,0,1|1,0,1]=4 1574 B11R1.175 OC(=O)C=1CC(ON1)C(O)=O Amb23453807 [0,0,0,1,0,1|1,0,1]=4 1575 B11R1.175 OC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Amb17620468 [0,0,0,1,0,1|2,0,0]=4 1576 B11R1.175 OC(=O)[C@@H]1CC[C@@H](S1)C(O)=O Amb23560340 [0,0,0,1,0,1|2,0,0]=4 1577 B11R1.175 OC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb25174831 [0,0,0,1,0,1|2,0,0]=4 1578 B11R1.175 OC(=O)[C@@H]1CC[C@H](S1)C(O)=O Amb23560341 [0,0,0,1,0,1|2,0,0]=4 1579 B11R1.175 OC(=O)[C@@H]1COC(N1)C(O)=O Amb24375687 [0,0,0,1,0,1|1,0,0]=3 1580 B11R1.175 OC(=O)[C@@H]1C[C@@H](CN1)C(O)=O Amb22262950 [0,0,0,1,0,1|2,0,0]=4 1581 B11R1.175 OC(=O)[C@@H]1C[C@@H](CS1)C(O)=O Amb24692652 [0,0,0,1,0,1|1,1,0]=4 1582 B11R1.175 OC(=O)[C@@H]1C[C@H](CC1)C(O)=O Amb22744933 [0,0,0,1,0,1|2,0,0]=4 1583 B11R1.175 OC(=O)[C@@H]1C[C@H](CN1)C(O)=O Amb19930523 [0,0,0,1,0,1|2,0,0]=4 1584 B11R1.175 OC(=O)[C@@H]1C[C@H](CS1)C(O)=O Amb25295506 [0,0,0,1,0,1|1,1,0]=4 1585 B11R1.175 OC(=O)[C@@H]1C[C@H](NN1)C(O)=O Amb24626610 [0,0,0,1,0,1|2,0,0]=4 1586 B11R1.175 OC(=O)[C@@H]1SC[C@H](N1)C(=O)O Amb16203732 [0,0,0,1,0,1|1,1,0]=4 1587 B11R1.175 OC(=O)[C@H]1CC(CN1)C(O)=O Amb25701728 [0,0,0,1,0,1|2,0,0]=4 1588 B11R1.175 OC(=O)[C@H]1CC[C@@H](O1)C(O)=O Amb25241964 [0,0,0,1,0,1|2,0,0]=4 1589 B11R1.175 OC(=O)[C@H]1CC[C@@H](S1)C(O)=O Amb24611890 [0,0,0,1,0,1|2,0,0]=4 1590 B11R1.175 OC(=O)[C@H]1CC[C@H](N1)C(O)=O Amb24538157 [0,0,0,1,0,1|2,0,0]=4 1591 B11R1.175 OC(=O)[C@H]1CO[C@H](O1)C(O)=O Amb24584796 [0,0,0,1,0,1|1,0,0]=3 1592 B11R1.175 OC(=O)[C@H]1CSC(N1)C(O)=O Amb24759082 [0,0,0,1,0,1|1,1,0]=4 1593 B11R1.175 OC(=O)[C@H]1CS[C@@H](N1)C(O)=O Amb24635691 [0,0,0,1,0,1|1,1,0]=4 1594 B11R1.175 OC(=O)[C@H]1CS[C@H](N1)C(O)=O Amb25179305 [0,0,0,1,0,1|1,1,0]=4 1595 B11R1.175 OC(=O)[C@H]1C[C@@H](CN1)C(O)=O Amb24559908 [0,0,0,1,0,1|2,0,0]=4 1596 B11R1.175 OC(=O)[C@H]1C[C@@H](NN1)C(O)=O Amb24061688 [0,0,0,1,0,1|2,0,0]=4 1597 B11R1.175 OC(=O)[C@H]1C[C@H](NN1)C(O)=O Amb24061689 [0,0,0,1,0,1|2,0,0]=4 1598 B11R1.175 OC(=O)[C@H]1C[C@H](SS1)C(O)=O Amb25101012 [0,0,0,1,0,1|0,2,0]=4 1599 B11R1.175 [C@H]1(CSC(N1)C(O)=O)C(O)=O Amb17872022 [0,0,0,1,0,1|1,1,0]=4 1600 B11R1.487 CC1(C=C(O)C(=O)O1)C(O)=O Amb24739429 [0,0,0,1,0,1|1,0,1]=4 1601 B11R1.487 CC1(CC(N)C(=O)O1)C(O)=O Amb24561712 [0,0,0,1,0,1|2,0,0]=4 1602 B11R1.487 CC1CC(O)(NC1=O)C(O)=O Amb24694924 [0,0,0,1,0,1|2,0,0]=4 1603 B11R1.487 CC1SC(C)(OC1=O)C(O)=O Amb24488008 [0,0,0,1,0,1|2,0,0]=4 1604 B11R1.487 OC(=O)C1(O)CC(O)C(=O)O1 Amb25320929 [0,0,0,1,0,1|0,0,0]=2 1605 B11R1.1387 CC1(CC1(C)C(O)=O)C(O)=O Amb25373993 [0,0,0,1,0,1|2,0,0]=4 1606 B11R1.1387 CC1(CC1(Cl)C(O)=O)C(O)=O Amb25363285 [0,0,0,1,0,1|2,0,0]=4 1607 B11R1.1387 CC1(OC1(C)C(O)=O)C(O)=O Amb25315650 [0,0,0,1,0,1|2,0,0]=4 1608 B11R1.1389 NC1(CC(C1)C(O)=O)C(O)=O Amb23592289 [0,0,0,1,0,1|2,0,0]=4 1609 B11R1.1389 N[C@@]1(C[C@@H](C1)C(O)=O)C(O)=O Amb19297840 [0,0,0,1,0,1|2,0,0]=4 1610 B11R1.1389 N[C@@]1(C[C@H](C1)C(O)=O)C(O)=O Amb24468408 [0,0,0,1,0,1|2,0,0]=4 1611 B11R1.32 CC1=CC(=O)[C@H](O)[C@H](O)C1=O Amb24620168 [0,1,0,1,0,0|2,0,0]=4 1612 B11R1.32 C[C@@H]1OC(=O)[C@H](O)[C@H](O)[C@H]1O Amb24520448 [0,1,0,1,0,0|1,0,1]=4 1613 B11R1.32 OC1=CC(=O)C(O)C(O)C1O Amb24378990 [0,1,0,1,0,0|1,0,1]=4 1614 B11R1.32 OC1=CC(=O)[C@H](O)[C@@H](O)[C@@H]1O Amb24725287 [0,1,0,1,0,0|1,0,1]=4 1615 B11R1.89 CC(C1CCOC1=O)C(O)=O Amb25701768 [0,1,0,1,0,0|2,0,0]=4 1616 B11R1.89 OC(=O)C(O)C1CCCC1=O Amb25321958 [0,1,0,1,0,0|2,0,0]=4 1617 B11R1.159 OC(=O)C1CCNC(=O)C1O Amb25145722 [0,1,0,1,0,0|2,0,0]=4 1618 B11R1.278 OC1C(O)C(CO)=NNC1=O Amb25828517 [0,1,0,1,0,0|2,0,0]=4 1619 B11R1.278 O[C@H]1[C@H](O)C(CO)=NNC1=O Amb24061564 [0,1,0,1,0,0|2,0,0]=4 1620 B11R1.295 COC(=O)[C@H](O)[C@@H]1CCC1=O Amb25235729 [0,1,0,1,0,0|2,0,0]=4 1621 B11R1.419 OCC1(O)OC(=O)[C@@H](O)[C@@H]1O Amb24697804 [0,1,0,1,0,0|0,0,2]=4 1622 B11R1.419 OCC1(O)OC(=O)[C@H](O)[C@H]1O Amb24655989 [0,1,0,1,0,0|0,0,2]=4 1623 B11R1.419 OC[C@@]1(O)OC(=O)[C@@H](O)[C@@H]1O Amb25285580 [0,1,0,1,0,0|0,0,2]=4 1624 B11R1.499 OC1C(O)C(=O)O[BH2-]OC1=O Amb24704491 [0,1,0,1,0,0|0,0,0]=2 1625 B11R1.865 COC(=O)C1OCC(O)C1O Amb25185233 [0,1,0,1,0,0|1,0,1]=4 1626 B11R1.865 COC(=O)[C@H]1OC[C@@H](O)[C@H]1O Amb24675359 [0,1,0,1,0,0|1,0,1]=4 1627 B11R1.865 OCC(=O)C1OCC(O)C1O Amb25748972 [0,1,0,1,0,0|1,0,1]=4 1628 B11R1.865 OCC(=O)[C@H]1OC[C@@H](O)[C@H]1O Amb24676791 [0,1,0,1,0,0|1,0,1]=4 1629 B11R1.868 COC(=O)[C@H]1C[C@@]1(C)C(O)=O Amb25363170 [0,1,0,1,0,0|2,0,0]=4 1630 B11R1.870 COC(=O)C1C=CC1C(O)=O Amb25028121 [0,1,0,1,0,0|2,0,0]=4 1631 B11R1.870 COC(=O)C1CCC1C(O)=O Amb25844392 [0,1,0,1,0,0|2,0,0]=4 1632 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(O)=O Amb23439085 [0,1,0,1,0,0|2,0,0]=4 1633 B11R1.870 COC(=O)[C@H]1C=C[C@H]1C(O)=O Amb25200966 [0,1,0,1,0,0|2,0,0]=4 1634 B11R1.888 COC(=O)C1(C)CC1C(O)=O Amb25104877 [0,1,0,1,0,0|2,0,0]=4 1635 B11R1.1270 OC1C(O)COC1(O)C(O)=O Amb25243018 [0,1,0,1,0,0|0,0,2]=4 1636 B11R1.1270 O[C@H]1[C@@H](O)COC1(O)C(O)=O Amb25241156 [0,1,0,1,0,0|0,0,2]=4 1637 B11R1.64 CCC1C(COC1=O)C(O)=O Amb25189307 [0,1,0,1,0,0|2,0,0]=4 1638 B11R1.64 CC[C@@H]1[C@H](COC1=O)C(O)=O Amb25216956 [0,1,0,1,0,0|2,0,0]=4 1639 B11R1.64 CC[C@H]1[C@@H](COC1=O)C(O)=O Amb24571752 [0,1,0,1,0,0|2,0,0]=4 1640 B11R1.64 CC[C@H]1[C@H](COC1=O)C(O)=O Amb24600687 [0,1,0,1,0,0|2,0,0]=4 1641 B11R1.64 OC(=O)C1COC(=O)C1CO Amb24453282 [0,1,0,1,0,0|1,0,0]=3 1642 B11R1.64 OC(=O)[C@@H]1COC(=O)[C@H]1CO Amb25238334 [0,1,0,1,0,0|1,0,0]=3 1643 B11R1.108 C=C1CC(C1C(O)=O)C(O)=O Amb25109156 [0,1,0,1,0,0|2,0,0]=4 1644 B11R1.178 NC(=O)C1N=COC1C(O)=O Amb18644981 [0,1,0,1,0,0|2,0,0]=4 1645 B11R1.178 NC(=O)[C@@H]1N=CO[C@H]1C(O)=O Amb25102078 [0,1,0,1,0,0|2,0,0]=4 1646 B11R1.178 OC(=O)C1CCC[C@@H]1C(O)=O Amb25172821 [0,1,0,1,0,0|2,0,0]=4 1647 B11R1.178 OC(=O)C1CNCC1C(O)=O Amb22495455 [0,1,0,1,0,0|2,0,0]=4 1648 B11R1.178 OC(=O)C1COCC1C(O)=O Amb23571987 [0,1,0,1,0,0|1,0,0]=3 1649 B11R1.178 OC(=O)C1NCCC1C(O)=O Amb22741053 [0,1,0,1,0,0|2,0,0]=4 1650 B11R1.178 OC(=O)C1NCCC1C(O)=O Amb24060966 [0,1,0,1,0,0|2,0,0]=4 1651 B11R1.178 OC(=O)C1OCOC1C(O)=O Amb24513880 [0,1,0,1,0,0|0,0,0]=2 1652 B11R1.178 OC(=O)[C@@H]1CCC[C@@H]1C(=O)O Amb13890829 [0,1,0,1,0,0|2,0,0]=4 1653 B11R1.178 OC(=O)[C@@H]1CNC[C@H]1C(O)=O Amb25200351 [0,1,0,1,0,0|2,0,0]=4 1654 B11R1.178 OC(=O)[C@@H]1OCO[C@H]1C(O)=O Amb25173184 [0,1,0,1,0,0|0,0,0]=2 1655 B11R1.178 OC(=O)[C@H]1CC=C[C@@H]1C(O)=O Amb24551403 [0,1,0,1,0,0|2,0,0]=4 1656 B11R1.178 OC(=O)[C@H]1CCC[C@@H]1C(O)=O Amb25173035 [0,1,0,1,0,0|2,0,0]=4 1657 B11R1.178 OC(=O)[C@H]1CSC[C@H]1C(O)=O Amb25322060 [0,1,0,1,0,0|1,1,0]=4 1658 B11R1.418 CCC1(CC1C(O)=O)C(O)=O Amb25772933 [0,1,0,1,0,0|2,0,0]=4 1659 B11R1.418 CC[C@@]1(O[C@H]1C(O)=O)C(O)=O Amb24692745 [0,1,0,1,0,0|1,0,0]=3 1660 B11R1.418 CC[C@]1(C[C@@H]1C(O)=O)C(O)=O Amb24511921 [0,1,0,1,0,0|2,0,0]=4 1661 B11R1.418 COC1(CC1C(O)=O)C(O)=O Amb24385414 [0,1,0,1,0,0|1,0,0]=3 1662 B11R1.418 CS[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb24580417 [0,1,0,1,0,0|1,1,0]=4 1663 B11R1.418 CS[C@]1(C[C@H]1C(O)=O)C(O)=O Amb25176096 [0,1,0,1,0,0|1,1,0]=4 1664 B11R1.673 CC1NC(=O)C(O)C1C(O)=O Amb25772524 [0,1,0,1,0,0|2,0,0]=4 1665 B11R1.673 CC1OC(=O)C(N)C1C(O)=O Amb25351485 [0,1,0,1,0,0|2,0,0]=4 1666 B11R1.673 CC1OC(=O)C(O)C1C(O)=O Amb25185337 [0,1,0,1,0,0|1,0,0]=3 1667 B11R1.673 C[C@@H]1OC(=O)[C@H](C)[C@@H]1C(O)=O Amb25257398 [0,1,0,1,0,0|2,0,0]=4 1668 B11R1.673 C[C@H]1OC(=O)[C@@H](N)[C@@H]1C(O)=O Amb24652351 [0,1,0,1,0,0|2,0,0]=4 1669 B11R1.723 CC1(C=CC1C(O)=O)C(O)=O Amb24650921 [0,1,0,1,0,0|2,0,0]=4 1670 B11R1.723 NC1(CCC1C(O)=O)C(O)=O Amb24381448 [0,1,0,1,0,0|2,0,0]=4 1671 B11R1.1109 N[C@@H](C(O)=O)C1(CC1)C(O)=O Amb24558206 [0,1,0,1,0,0|2,0,0]=4 1672 B11R1.1109 N[C@H](C(O)=O)C1(CC1)C(O)=O Amb22802389 [0,1,0,1,0,0|2,0,0]=4 1673 B11R1.1109 OC(C(O)=O)C1(CC1)C(O)=O Amb25806065 [0,1,0,1,0,0|1,0,0]=3 1674 B11R1.315 CC1(C)C(COC1=O)C(O)=O Amb24470090 [0,1,0,1,0,0|2,0,0]=4 1675 B11R1.315 CC1(C)[C@@H](COC1=O)C(O)=O Amb24739644 [0,1,0,1,0,0|2,0,0]=4 1676 B11R1.511 C[C@]1(O)[C@@H](O)C(=O)C=CC1=O Amb24620167 [0,1,0,1,0,0|2,0,0]=4 1677 B11R2.60 O=C1COC2C1OCC2=O Amb25807579 [0,0,0,2,0,0|2,0,0]=4 1678 B9R0.7 C=C(NCC(O)=O)C(O)=O Amb24350752 [1,0,0,0,0,1|1,0,1]=4 1679 B9R0.7 CC(=O)C(Br)CCC(O)=O Amb25733508 [1,0,0,0,0,1|2,0,0]=4 1680 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [1,0,0,0,0,1|2,0,0]=4 1681 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [1,0,0,0,0,1|2,0,0]=4 1682 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [1,0,0,0,0,1|2,0,0]=4 1683 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [1,0,0,0,0,1|2,0,0]=4 1684 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [1,0,0,0,0,1|2,0,0]=4 1685 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [1,0,0,0,0,1|2,0,0]=4 1686 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [1,0,0,0,0,1|2,0,0]=4 1687 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [1,0,0,0,0,1|2,0,0]=4 1688 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [1,0,0,0,0,1|1,0,0]=3 1689 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [1,0,0,0,0,1|2,0,0]=4 1690 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [1,0,0,0,0,1|1,0,0]=3 1691 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [1,0,0,0,0,1|2,0,0]=4 1692 B9R0.7 CC(=O)OCC(Cl)C(O)=O Amb24425506 [1,0,0,0,0,1|2,0,0]=4 1693 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [1,0,0,0,0,1|2,0,0]=4 1694 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [1,0,0,0,0,1|2,0,0]=4 1695 B9R0.7 CC(=O)SCC(Cl)C(O)=O Amb24423824 [1,0,0,0,0,1|2,0,0]=4 1696 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [1,0,0,0,0,1|2,0,0]=4 1697 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [1,0,0,0,0,1|2,0,0]=4 1698 B9R0.7 CC(=O)[C@@H](C)CCC(O)=O Amb25333003 [1,0,0,0,0,1|2,0,0]=4 1699 B9R0.7 CC(=O)[C@@H](N)CCC(O)=O Amb24386065 [1,0,0,0,0,1|2,0,0]=4 1700 B9R0.7 CC(=O)[C@H](C)CCC(O)=O Amb24671283 [1,0,0,0,0,1|2,0,0]=4 1701 B9R0.7 CC(CNC(N)=O)C(O)=O Amb18298054 [1,0,0,0,0,1|2,0,0]=4 1702 B9R0.7 CC(N=CC(O)=O)C(O)=O Amb24446584 [1,0,0,0,0,1|1,0,1]=4 1703 B9R0.7 CC(O)C(O)CCC(O)=O Amb25054706 [1,0,0,0,0,1|1,0,1]=4 1704 B9R0.7 CC(OCC(N)=O)C(O)=O Amb24660109 [1,0,0,0,0,1|2,0,0]=4 1705 B9R0.7 CC(OCC(O)=O)C(O)=O Amb25292152 [1,0,0,0,0,1|1,0,0]=3 1706 B9R0.7 CC(\C=C\C(O)=O)C(O)=O Amb24409525 [1,0,0,0,0,1|1,0,1]=4 1707 B9R0.7 CS(=O)NCC(O)C(O)=O Amb25177159 [1,0,0,0,0,1|2,0,0]=4 1708 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [1,0,0,0,0,1|1,0,0]=3 1709 B9R0.7 C[C@@H](NCC(N)=O)C(O)=O Amb25849548 [1,0,0,0,0,1|2,0,0]=4 1710 B9R0.7 C[C@@H](NCC(O)=O)C(O)=O Amb22748947 [1,0,0,0,0,1|1,0,0]=3 1711 B9R0.7 C[C@@H](SCC(O)=O)C(O)=O Amb24482305 [1,0,0,0,0,1|1,0,0]=3 1712 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [1,0,0,0,0,1|1,0,0]=3 1713 B9R0.7 C[C@H](NCC(N)=O)C(O)=O Amb24753576 [1,0,0,0,0,1|2,0,0]=4 1714 B9R0.7 C[C@H](NCC(O)=O)C(O)=O Amb25133540 [1,0,0,0,0,1|1,0,0]=3 1715 B9R0.7 C[C@H](OCC(O)=O)C(O)=O Amb24393806 [1,0,0,0,0,1|1,0,0]=3 1716 B9R0.7 N=C(CCC(O)=O)C(O)=O Amb25064299 [1,0,0,0,0,1|1,0,1]=4 1717 B9R0.7 NC(=N)NC[C@H](O)C(O)=O Amb25126652 [1,0,0,0,0,1|2,0,0]=4 1718 B9R0.7 NC(=O)C(N)CCC(O)=O Amb18644256 [1,0,0,0,0,1|2,0,0]=4 1719 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [1,0,0,0,0,1|2,0,0]=4 1720 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [1,0,0,0,0,1|1,0,0]=3 1721 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [1,0,0,0,0,1|2,0,0]=4 1722 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [1,0,0,0,0,1|2,0,0]=4 1723 B9R0.7 NC(=O)CC[C@H](O)C(N)=O Amb24480731 [1,0,0,0,0,1|2,0,0]=4 1724 B9R0.7 NC(=O)NCC(C(=O)O)F Amb17610485 [1,0,0,0,0,1|2,0,0]=4 1725 B9R0.7 NC(=O)NC[C@@H](C(=O)O)C Amb10844047 [1,0,0,0,0,1|2,0,0]=4 1726 B9R0.7 NC(=O)NC[C@@H](F)C(O)=O Amb24389552 [1,0,0,0,0,1|2,0,0]=4 1727 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [1,0,0,0,0,1|2,0,0]=4 1728 B9R0.7 NC(=O)N[13CH2][13CH]([13C](=O)O)F Amb17610486 [1,0,0,0,0,1|2,0,0]=4 1729 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [1,0,0,0,0,1|2,0,0]=4 1730 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [1,0,0,0,0,1|2,0,0]=4 1731 B9R0.7 NC(=O)[C@@H](N)CCC(O)=O Amb22745051 [1,0,0,0,0,1|2,0,0]=4 1732 B9R0.7 NC(=O)[C@H](N)CCC(O)=O Amb24557281 [1,0,0,0,0,1|2,0,0]=4 1733 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [1,0,0,0,0,1|2,0,0]=4 1734 B9R0.7 NC(CCC(O)=O)C(=O)[Na] Amb24375221 [1,0,0,0,0,1|2,0,0]=4 1735 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [1,0,0,0,0,1|1,0,0]=3 1736 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [1,0,0,0,0,1|1,0,0]=3 1737 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [1,0,0,0,0,1|2,0,0]=4 1738 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [1,0,0,0,0,1|1,0,0]=3 1739 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [1,0,0,0,0,1|1,1,0]=4 1740 B9R0.7 NC(CCP(O)=O)C(O)=O Amb25276313 [1,0,0,0,0,1|2,0,0]=4 1741 B9R0.7 NC(CCS(O)=O)C(O)=O Amb22349645 [1,0,0,0,0,1|2,0,0]=4 1742 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [1,0,0,0,0,1|1,0,0]=3 1743 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [1,0,0,0,0,1|2,0,0]=4 1744 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [1,0,0,0,0,1|2,0,0]=4 1745 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [1,0,0,0,0,1|2,0,0]=4 1746 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [1,0,0,0,0,1|2,0,0]=4 1747 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O Amb22745619 [1,0,0,0,0,1|1,0,1]=4 1748 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [1,0,0,0,0,1|1,0,0]=3 1749 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [1,0,0,0,0,1|1,1,0]=4 1750 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [1,0,0,0,0,1|1,0,1]=4 1751 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [1,0,0,0,0,1|1,0,1]=4 1752 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [1,0,0,0,0,1|1,0,1]=4 1753 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [1,0,0,0,0,1|1,0,1]=4 1754 B9R0.7 N[C@@H](CCP(O)=O)C(O)=O Amb22904307 [1,0,0,0,0,1|2,0,0]=4 1755 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [1,0,0,0,0,1|1,0,0]=3 1756 B9R0.7 N[C@H](CCS(O)=O)C(O)=O Amb24099404 [1,0,0,0,0,1|2,0,0]=4 1757 B9R0.7 OC(=O)C(=S)NCC(O)=O Amb24423880 [1,0,0,0,0,1|0,1,1]=4 1758 B9R0.7 OC(=O)C(Cl)SCC(O)=O Amb24390363 [1,0,0,0,0,1|1,0,0]=3 1759 B9R0.7 OC(=O)C(O)SCC(O)=O Amb24524554 [1,0,0,0,0,1|0,0,0]=2 1760 B9R0.7 OC(=O)CCC(=O)C(=O)O Amb1154117 [1,0,0,0,0,1|0,0,2]=4 1761 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22349893 [1,0,0,0,0,1|0,0,2]=4 1762 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22350267 [1,0,0,0,0,1|0,0,2]=4 1763 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22746233 [1,0,0,0,0,1|0,0,2]=4 1764 B9R0.7 OC(=O)CCC(=O)[13C](O)=O Amb22055609 [1,0,0,0,0,1|0,0,2]=4 1765 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [1,0,0,0,0,1|1,0,0]=3 1766 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [1,0,0,0,0,1|1,0,0]=3 1767 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [1,0,0,0,0,1|1,0,0]=3 1768 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [1,0,0,0,0,1|0,0,0]=2 1769 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [1,0,0,0,0,1|0,0,0]=2 1770 B9R0.7 OC(=O)CNC(=O)C(=O)O Amb2447304 [1,0,0,0,0,1|0,0,2]=4 1771 B9R0.7 OC(=O)CSC(C(=O)O)C Amb2431034 [1,0,0,0,0,1|1,0,0]=3 1772 B9R0.7 OC(=O)\C(\Br)=C/CC(O)=O Amb25364176 [1,0,0,0,0,1|1,0,1]=4 1773 B9R0.7 OC(=O)\C=C/C(O)C(O)=O Amb25757882 [1,0,0,0,0,1|0,0,1]=3 1774 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [1,0,0,0,0,1|2,0,0]=4 1775 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [1,0,0,0,0,1|2,0,0]=4 1776 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [1,0,0,0,0,1|1,0,0]=3 1777 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [1,0,0,0,0,1|1,0,0]=3 1778 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [1,0,0,0,0,1|2,0,0]=4 1779 B9R0.7 [O-]C(=O)CCC(O)C([O-])=O Amb22055443 [1,0,0,0,0,1|0,0,2]=4 1780 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)[O-])O Amb17615400 [1,0,0,0,0,1|0,0,2]=4 1781 B9R0.7 [O-]C(=O)CC[C@H](C(=O)[O-])O Amb17615399 [1,0,0,0,0,1|0,0,2]=4 1782 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [1,0,0,0,0,1|1,0,1]=4 1783 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [1,0,0,0,0,1|2,0,0]=4 1784 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [1,0,0,0,0,1|2,0,0]=4 1785 B9R0.53 CC(=O)OC(C)CC(O)=O Amb18644244 [1,0,0,0,0,1|2,0,0]=4 1786 B9R0.53 CC(=O)O[C@H](C)CC(O)=O Amb25062672 [1,0,0,0,0,1|2,0,0]=4 1787 B9R0.53 CC(C)=CC(O)CC(O)=O Amb18644102 [1,0,0,0,0,1|2,0,0]=4 1788 B9R0.53 CC(C)=C[C@@H](O)CC(O)=O Amb24393168 [1,0,0,0,0,1|2,0,0]=4 1789 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [1,0,0,0,0,1|1,0,1]=4 1790 B9R0.53 CC(CC(O)=O)CC(N)=O Amb19034796 [1,0,0,0,0,1|2,0,0]=4 1791 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [1,0,0,0,0,1|2,0,0]=4 1792 B9R0.53 CN(O)CC(O)CC(O)=O Amb24611959 [1,0,0,0,0,1|2,0,0]=4 1793 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [1,0,0,0,0,1|1,0,1]=4 1794 B9R0.53 NC(=O)CC(O)CC(O)=O Amb25147276 [1,0,0,0,0,1|1,0,0]=3 1795 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,0,0,0,0,1|1,0,0]=3 1796 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [1,0,0,0,0,1|1,0,1]=4 1797 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [1,0,0,0,0,1|1,0,0]=3 1798 B9R0.53 OC(=O)CN(Br)CC(O)=O Amb25277216 [1,0,0,0,0,1|2,0,0]=4 1799 B9R0.53 OC(=O)CN(Cl)CC(O)=O Amb24482142 [1,0,0,0,0,1|2,0,0]=4 1800 B9R0.53 OC(=O)C[C@@H](NC(=O)C)C Amb2372568 [1,0,0,0,0,1|2,0,0]=4 1801 B9R0.53 OC(=O)C[C@H](NC(=O)C)C Amb2372567 [1,0,0,0,0,1|2,0,0]=4 1802 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [1,0,0,0,0,1|1,0,1]=4 1803 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [1,0,0,0,0,1|0,0,0]=2 1804 B9R0.53 ON(CC(O)=O)CC(O)=O Amb25062474 [1,0,0,0,0,1|1,0,0]=3 1805 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb23453377 [1,0,0,0,0,1|2,0,0]=4 1806 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb24121533 [1,0,0,0,0,1|2,0,0]=4 1807 B11R0.149 NC(CC(O)=O)C(N)CC(O)=O Amb24114097 [0,0,0,0,0,2|2,0,0]=4 1808 B11R0.149 OC(C(NC(=O)C)O)NC(=O)C Amb1033021 [0,0,0,0,0,2|2,0,0]=4 1809 B11R0.150 CC(CCC(C)C(O)=O)C(O)=O Amb18127177 [0,0,0,0,0,2|2,0,0]=4 1810 B11R0.150 CC(SSC(C)C(O)=O)C(O)=O Amb22731793 [0,0,0,0,0,2|2,0,0]=4 1811 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb10602546 [0,0,0,0,0,2|2,0,0]=4 1812 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb17594468 [0,0,0,0,0,2|2,0,0]=4 1813 B11R0.150 N[C@H](C(=O)O)CC[C@H](C(=O)O)N Amb10603182 [0,0,0,0,0,2|2,0,0]=4