0 B10R1.34 C=C1C(O)C(CBr)OC1=O Amb24694230 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.34 C=C1C(O)C(CO)OC1=O Amb24384068 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.34 CC1C(C)C(CO)OC1=O Amb25280223 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.34 CC1C(CC)OC(=O)C1=O Amb25146621 [0,0,0,0,0,0|0,0,2]=2 4 B10R1.34 CC1C(CN)OC(=O)N1C Amb24541247 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.34 CC1C(CO)OC(=O)N1C Amb25787341 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.34 CC1C(N)C(=O)OC1CC Amb24357552 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.34 CC=1C(=O)CC(CO)C1C Amb25142645 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.34 CC=1C(=O)OC(CO)C1C Amb24430847 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.34 CC=1C(=O)O[C@H](CO)C1C Amb24481131 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.34 CC=1C(=O)SC(CC)C1O Amb24480535 [0,0,0,0,0,0|2,1,0]=3 11 B10R1.34 CC=1C(CC(=O)C1O)CC Amb25707285 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.34 CC=1CC(CC)C(=O)C1O Amb24062910 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.34 CC=1O\C(=C\C)\C(=O)C1O Amb25112154 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.34 CCC1CC(=O)C(C)=C1C Amb25146593 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.34 CCC1NC(=O)C(C)C1C Amb24599667 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.34 CCC1NC(=O)N(C)C1=O Amb24473034 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.34 CCC1NC(=O)N(N)C1=O Amb18124627 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.34 CC[C@@H]1OC(=O)C(=C)C1O Amb24407469 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.34 CC[C@@H]1OC(=O)[C@@H](O)[C@H]1O Amb25175501 [0,0,0,0,0,0|1,0,2]=3 20 B10R1.34 CC[C@H]1OC(=O)C(=C)[C@H]1O Amb24620798 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.34 CC[n]1[n]c(C)c(O)c1C Amb25274551 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.34 CC[n]1[n]c(C)c(S)c1C Amb25146299 [0,0,0,0,0,0|3,1,0]=4 23 B10R1.34 CCc1[nH]c(C)c(C)c1C Amb17938712 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.34 CCn1nc(c(c1C)I)C Amb16230358 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.34 CCn1nc(c(c1C)N)C Amb1934357 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.34 CCn1nc(c(c1C)N)N Amb16186824 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.34 COC1NC(=O)C(Cl)=C1Cl Amb25243558 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.34 COC1OC(=O)C(Cl)=C1N Amb25794137 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.34 C[C@@H]1[C@@H](F)C(=O)O[C@H]1CO Amb25215702 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.34 C[C@@H]1[C@H](N)C(=O)OC1CC Amb24515062 [0,0,0,0,0,0|1,0,2]=3 31 B10R1.34 C[C@@H]1[C@H](N)C(=O)O[C@H]1CC Amb25291601 [0,0,0,0,0,0|1,0,2]=3 32 B10R1.34 C[C@H]1[C@@H](CO)OC(=O)N1C Amb25214420 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.34 C[C@H]1[C@H](N)C(=O)O[C@@H]1CC Amb24580894 [0,0,0,0,0,0|1,0,2]=3 34 B10R1.34 C\C=C/1\OC(=O)C(=O)C1C Amb24439254 [0,0,0,0,0,0|0,0,4]=4 35 B10R1.34 Cc1c(I)c(N)[n][n]1CC Amb23449669 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.34 Cc1c(N)c(Br)[s]c1CC Amb25810083 [0,0,0,0,0,0|2,1,1]=4 37 B10R1.34 Cc1c(N)c(N)[n][n]1CC Amb19889136 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.34 Cc1c(O)[n](C)[n]c1CC Amb24620410 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.34 NC1C(CO)OC(=O)C1O Amb25200004 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.34 NC=1C(=O)O[C@H](CO)C1O Amb25299244 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.34 OC1C(O)C(CCl)OC1=O Amb24558641 [0,0,0,0,0,0|2,0,2]=4 42 B10R1.34 OC1C(O)C(CS)OC1=O Amb24362708 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.34 OCC1CC(=O)C(O)=C1O Amb25373972 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.34 OCC1OC(=O)C(O)=C1O Amb25758818 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.34 OCC1OC(=O)C(O)C1O Amb17939855 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.34 OCC1OC(=O)[C@@H](O)[C@H]1O Amb19133819 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.34 OCC1OC(=O)[C@@H]([C@@H]1O)O Amb17619935 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.34 OC[C@@H]1OC(=O)C(O)C1O Amb24667004 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.34 OC[C@@H]1OC(=O)[C@@H](O)[C@@H]1O Amb22799884 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.34 OC[C@@H]1OC(=O)[C@@H](O)[C@H]1O Amb22750699 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.34 OC[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb25213906 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.34 OC[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb22800744 [0,0,0,0,0,0|2,0,2]=4 53 B10R1.34 OC[C@H]1OC(=O)C(=O)C1=O Amb25060580 [0,0,0,0,0,0|2,0,1]=3 54 B10R1.34 OC[C@H]1OC(=O)C(O)=C1O Amb25697045 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.34 OC[C@H]1OC(=O)C(O)C1O Amb25266968 [0,0,0,0,0,0|2,0,2]=4 56 B10R1.34 OC[C@H]1OC(=O)[C@@H](O)C1O Amb25277825 [0,0,0,0,0,0|2,0,2]=4 57 B10R1.34 O[C@@H]1[C@@H](O)[C@@H](CBr)OC1=O Amb25288213 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.34 O[C@@H]1[C@H](O)C(CBr)OC1=O Amb25207117 [0,0,0,0,0,0|2,0,2]=4 59 B10R1.34 O[C@@H]1[C@H](O)[C@@H](CBr)OC1=O Amb25201554 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.34 O[C@@H]1[C@H](O)[C@@H](CS)OC1=O Amb24619150 [0,0,0,0,0,0|2,0,2]=4 61 B10R1.34 O[C@H]1[C@@H](O)[C@@H](CBr)OC1=O Amb24550173 [0,0,0,0,0,0|2,0,2]=4 62 B10R1.34 O[C@H]1[C@H](O)[C@@H](CBr)OC1=O Amb25249004 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.34 O[C@H]1[C@H](O)[C@@H](CCl)OC1=O Amb24655081 [0,0,0,0,0,0|2,0,2]=4 64 B9R1.22 CC1=CC(=O)C(CC)O1 Amb25143499 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.22 CC1=CC(=O)C=C1CC Amb24553152 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.22 CC1=CC(=O)CC1CC Amb24686502 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.22 CC1=CC(=O)OC1=CBr Amb25259288 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.22 CC1=CC(=O)OC1CO Amb25116791 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.22 CC1=CC(=O)O[C@@H]1CO Amb25830656 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.22 CC1CC(=O)CC1CC Amb25032178 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.22 CC1CC(=O)NC1CC Amb24578188 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.22 CC1CC(=O)OC1CBr Amb25240937 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.22 CC1CC(=O)OC1CCl Amb24480344 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.22 CC1CC(=O)OC1CN Amb25300550 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.22 CC1CC(=O)O[C@@H]1CN Amb25222804 [1,0,0,0,0,0|1,0,2]=4 76 B9R1.22 CC1NC(=N)OC1CC Amb25779190 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.22 CC1NC(=O)OC1CC Amb25679025 [1,0,0,0,0,0|1,0,1]=3 78 B9R1.22 CC=1CC(CC)C(=O)C1 Amb25759515 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.22 CC=1NC(=O)NC1CC Amb19766314 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.22 CC=1NC(=O)SC1CC Amb24689106 [1,0,0,0,0,0|1,1,1]=4 81 B9R1.22 CC=1OC(=O)OC1CBr Amb19894710 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.22 CC=1OC(=O)OC1CCl Amb19957854 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.22 CC=1OC(=O)OC1CO Amb21962117 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.22 CCC1CC(=O)NC1=O Amb24117084 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.22 CCC1CC(=O)NN1C Amb24598970 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.22 CCC1CC(=O)OC1=O Amb24571652 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.22 CCC1NC(=O)CC1=O Amb18203277 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.22 CCC1NC(=O)NC1=O Amb1126591 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.22 CCC1NC(=O)OC1=O Amb25127713 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.22 CCC1OC(=O)CC1O Amb25788884 [1,0,0,0,0,0|1,0,2]=4 91 B9R1.22 CCC1OC(=O)NC1=O Amb24613855 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.22 CCC1SC(=O)NC1=N Amb25276441 [1,0,0,0,0,0|2,1,0]=4 93 B9R1.22 CCC1SC(=O)NC1=O Amb10782080 [1,0,0,0,0,0|2,1,0]=4 94 B9R1.22 CCC1SC(=O)NC1=S Amb25253494 [1,0,0,0,0,0|2,1,0]=4 95 B9R1.22 CC[C@@H]1NC(=O)NC1=O Amb25146165 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.22 CC[C@@H]1OC(=O)C[C@H]1Br Amb25362262 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.22 CC[C@H]1CC(=O)NC1=O Amb24606518 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.22 CC[C@H]1OC(=O)C[C@@H]1O Amb25195896 [1,0,0,0,0,0|1,0,2]=4 99 B9R1.22 CC[n+]1oc(C)cc1C Amb22440681 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.22 CCc1[nH]c(=O)[nH]c1C Amb1926580 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.22 CCc1[nH]c(C)cc1C Amb17938709 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.22 COC1NC(=O)C=C1Br Amb24713571 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.22 COC1NC(=O)C=C1Cl Amb24392866 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.22 COC1OC(=O)C=C1Br Amb22490505 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.22 COC1OC(=O)C=C1Cl Amb25295362 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.22 COC1OC(=O)C=C1N Amb25724761 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.22 C[C@@H]1CC(=O)O[C@@H]1CO Amb25176497 [1,0,0,0,0,0|1,0,2]=4 108 B9R1.22 C[C@@H]1NC(=N)O[C@H]1CC Amb24516121 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.22 C[C@@H]1NC(=O)OC1CC Amb25694156 [1,0,0,0,0,0|1,0,1]=3 110 B9R1.22 C[C@@H]1OC(=O)N[C@H]1CC Amb24699385 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.22 C[C@H]1CC(=O)C[C@H]1CC Amb25179756 [1,0,0,0,0,0|1,0,2]=4 112 B9R1.22 C[C@H]1CC(=O)O[C@@H]1CBr Amb25210841 [1,0,0,0,0,0|1,0,2]=4 113 B9R1.22 C[C@H]1CC(=O)O[C@H]1CCl Amb24554768 [1,0,0,0,0,0|1,0,2]=4 114 B9R1.22 C[C@H]1CC(=O)O[C@H]1CO Amb25175374 [1,0,0,0,0,0|1,0,2]=4 115 B9R1.22 C[C@H]1NC(=N)O[C@H]1CC Amb24516141 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.22 C[C@H]1NC(=O)O[C@@H]1CC Amb24713487 [1,0,0,0,0,0|1,0,1]=3 117 B9R1.22 C\C=C\1/OC(=O)C=C1N Amb24426967 [1,0,0,0,0,0|1,0,2]=4 118 B9R1.22 Cc1[n]c(I)oc1CC Amb24733561 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.22 Cc1[n]c(N)oc1CC Amb18642431 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.22 Cc1cc(Br)[n][n]1CC Amb20619951 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.22 Cc1cc(C)oc1CN Amb18642317 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.22 Cc1cc(Cl)[n][n]1CC Amb22755186 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.22 Cc1cc(I)[n][n]1CC Amb20620000 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.22 Cc1cc(N)[s]c1CC Amb18143528 [1,0,0,0,0,0|1,1,1]=4 125 B9R1.22 Cc1cc(N)oc1CC Amb18832815 [1,0,0,0,0,0|1,0,1]=3 126 B9R1.22 Cc1oc(=O)oc1CO Amb22270084 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.22 NCC1OC(=O)NC1=O Amb25301574 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.23 C=C1CC(CO)OC1=O Amb24524234 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.23 C=C1C[C@H](CO)OC1=O Amb24733132 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.23 CC1=CC(CCl)OC1=O Amb24340254 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.23 CC1=CC(CO)NC1=O Amb25799453 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.23 CC1=CC(NC1=O)OC Amb25678815 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.23 CC1=C[C@H](CO)NC1=O Amb24685779 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.23 CC1=C[C@H](CO)OC1=O Amb25357559 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.23 CCC1CC(=O)C(=O)C1 Amb25838664 [1,0,0,0,0,0|1,0,2]=4 136 B9R1.23 CCC1CC(=O)C(O)=C1 Amb25706973 [1,0,0,0,0,0|1,0,0]=2 137 B9R1.23 CCC1CC(Br)C(=O)O1 Amb25839843 [1,0,0,0,0,0|1,0,2]=4 138 B9R1.23 CCC1CC(O)C(=O)N1 Amb24426760 [1,0,0,0,0,0|1,0,2]=4 139 B9R1.23 CCC=1CC(=O)C(O)C1 Amb24522759 [1,0,0,0,0,0|1,0,2]=4 140 B9R1.23 CC[C@@H]1C[C@H](N)C(=O)O1 Amb25163624 [1,0,0,0,0,0|1,0,2]=4 141 B9R1.23 CC[C@@H]1OC(=O)[C@H](F)S1 Amb25054175 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.23 CC[C@H]1OC(=O)[C@@H](F)S1 Amb24514953 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.23 COC1C=C(Br)C(=O)N1 Amb24451456 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.23 COC1C=C(Cl)C(=O)N1 Amb24476684 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.23 NC1=CC(CO)OC1=O Amb25275545 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.23 NCC1C=C(O)C(=O)O1 Amb25204300 [1,0,0,0,0,0|1,0,0]=2 147 B9R1.23 OC[C@@H]1C=C(Br)C(=O)O1 Amb25782292 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.23 OC[C@@H]1C=C(Cl)C(=O)O1 Amb25296371 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.23 O[C@@H]1C[C@H](CCl)OC1=O Amb25213067 [1,0,0,0,0,0|1,0,2]=4 150 B9R1.23 O[C@@H]1C[C@H](CO)OC1=O Amb25324131 [1,0,0,0,0,0|1,0,2]=4 151 B9R1.37 CC1=C(Br)C(=O)OC1=O Amb22499286 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.37 CC1=C(C)C(=O)CN1C Amb24340128 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.37 CC1=C(C)C(=O)OC1O Amb17778789 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.37 CC1=C(O)C(=O)CC1=O Amb22338544 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.37 CC1C(C)OC(=O)C1=C Amb24481883 [1,0,0,0,0,0|1,0,1]=3 156 B9R1.37 CC1C(O)C(=O)OC1C Amb24748283 [1,0,0,0,0,0|0,0,2]=3 157 B9R1.37 CC1CC(=O)C(C)=C1C Amb25139953 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.37 CC1CC(N)=C(O)C1=O Amb25303972 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.37 CC1CC(O)=C(O)C1=O Amb25807703 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.37 CC1NC(=O)N(O)C1=O Amb25293992 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.37 CC1OC(=O)C(=O)C1C Amb24360322 [1,0,0,0,0,0|0,0,2]=3 162 B9R1.37 CC1OC(=O)C(C)=C1C Amb21926616 [1,0,0,0,0,0|1,0,0]=2 163 B9R1.37 CC1OC(=O)C(C)C1=O Amb25347361 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.37 CC1OC(=O)C(F)C1=O Amb24736506 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.37 CC1OC(=O)C(N)=C1O Amb24339304 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.37 CC1OC(=O)C(N)C1=N Amb24580975 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.37 CC1OC(=O)C(O)C1O Amb25137171 [1,0,0,0,0,0|1,0,2]=4 168 B9R1.37 CC1[C-]=C(C)C(C)=C1C Amb22231409 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.37 CC=1C(=O)C(C)OC1C Amb25108540 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.37 CC=1C(=O)CC(O)C1C Amb24722764 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.37 CC=1C(=O)OC(Cl)C1C Amb24434007 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.37 CC=1C(=O)OC(O)C1Br Amb24529085 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.37 CC=1C(=O)O[C@H](O)C1C Amb25853978 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.37 CC=1C(C)=NC(=O)C1C Amb24618542 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.37 CC=1C(C)OC(=O)C1N Amb24340138 [1,0,0,0,0,0|1,0,0]=2 176 B9R1.37 CC=1C(Cl)OC(=O)C1Cl Amb25275030 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.37 CC=1C(O)C(=O)OC1C Amb24419290 [1,0,0,0,0,0|0,0,2]=3 178 B9R1.37 CC=1C(O)OC(=O)C1Br Amb24099868 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.37 CC=1C(O)OC(=O)C1Cl Amb24401510 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.37 CC=1CC(C)C(=N)C1O Amb25137642 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.37 CC=1CC(C)C(=O)C1O Amb24527436 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.37 CC=1OC(=O)C(O)C1O Amb25769590 [1,0,0,0,0,0|1,0,2]=4 183 B9R1.37 CC=1O[C@@H](C)C(=O)C1O Amb25092220 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.37 CC=1SC(C)C(=O)C1O Amb24066090 [1,0,0,0,0,0|2,1,0]=4 185 B9R1.37 CC=1[C@@H](C)OC(=O)C1N Amb24529118 [1,0,0,0,0,0|1,0,0]=2 186 B9R1.37 C[C@@H]1NC(=O)N(O)C1=O Amb25714204 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.37 C[C@@H]1OC(=O)C(O)=C1O Amb25332813 [1,0,0,0,0,0|1,0,0]=2 188 B9R1.37 C[C@@H]1OC(=O)C(O)C1O Amb24605729 [1,0,0,0,0,0|1,0,2]=4 189 B9R1.37 C[C@@H]1OC(=O)[C@@H](O)[C@H]1O Amb25261892 [1,0,0,0,0,0|1,0,2]=4 190 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb25327544 [1,0,0,0,0,0|1,0,2]=4 191 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb24714713 [1,0,0,0,0,0|1,0,2]=4 192 B9R1.37 C[C@@H]1[C@@H](N)C(=O)O[C@H]1C Amb24575237 [1,0,0,0,0,0|1,0,2]=4 193 B9R1.37 C[C@@H]1[C@H](N)C(=O)O[C@@H]1C Amb24606913 [1,0,0,0,0,0|1,0,2]=4 194 B9R1.37 C[C@@H]1[C@H](O)C(=O)O[C@@H]1C Amb24592551 [1,0,0,0,0,0|0,0,2]=3 195 B9R1.37 C[C@H]1OC(=O)C(=C)[C@@H]1O Amb25332246 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.37 C[C@H]1OC(=O)C(=O)C1C Amb24748953 [1,0,0,0,0,0|0,0,2]=3 197 B9R1.37 C[C@H]1OC(=O)C(O)C1O Amb24527858 [1,0,0,0,0,0|1,0,2]=4 198 B9R1.37 C[C@H]1[C@@H](N)C(=O)O[C@@H]1C Amb25259190 [1,0,0,0,0,0|1,0,2]=4 199 B9R1.37 C[C@H]1[C@H](N)C(=O)OC1C Amb24585127 [1,0,0,0,0,0|1,0,2]=4 200 B9R1.37 Cc1c(C)oc(C)c1C Amb22339529 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.37 Cc1c(O)c(Br)[s]c1C Amb23590848 [1,0,0,0,0,0|1,1,1]=4 202 B9R1.37 Cc1c(O)c(C)[n][n]1C Amb19337696 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.37 NC=1C(O)OC(=O)C1Cl Amb25790018 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.37 O=C1OC(Cl)C(Cl)=C1Cl Amb25341605 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.37 [13CH3]C1OC(=C(C1=O)O)C Amb10072162 [1,0,0,0,0,0|2,0,0]=3 206 B9R1.132 CC=1C(=O)NOC1CC Amb24481691 [1,0,0,0,0,0|1,0,2]=4 207 B9R1.132 CCc1[nH]cc(C)c1C Amb17938711 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.132 CCc1o[n]c(O)c1F Amb25071409 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.132 CCn1ccc(C)c1C Amb17666665 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.132 Cc1c(I)cnn1CC Amb16230357 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.132 Cc1c(N)[n]oc1CC Amb18832753 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.132 Cc1c(N)c[s]c1CC Amb24471496 [1,0,0,0,0,0|1,1,1]=4 213 B9R1.132 Cc1c(N)cnn1CC Amb1946095 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.186 CC=1C(=O)CC(CC=O)C1C Amb18125415 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.186 CC=1C(=O)C[C@H](CC=C)C1C Amb24509414 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.186 CC=1C(=O)O[C@@H](\C=C\C)C1O Amb24309205 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.186 CC\C=C/1\CC(=O)C(C)=C1C Amb25272693 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.186 CC\C=C\1/CC(=O)C(C)=C1C Amb25128878 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.186 OC=1C(=O)OC(CCI)C1O Amb25739619 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.186 OCCC1OC(=O)C(O)C1O Amb25150511 [0,1,0,0,0,0|1,0,2]=4 221 B11R1.370 CC[C@H]1OC(=O)[C@@H](O)[C@]1(C)O Amb25221430 [0,1,0,0,0,0|0,0,2]=3 222 B11R1.374 CC1=C(N)C(CC)OS1(=O)=O Amb25046156 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.419 CC1(CO)OC(=O)C(O)=C1O Amb25149741 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.419 CC1=C(Cl)C(=O)OC1(C)CCl Amb24487819 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.419 CC=1OC(C)(CO)C(=O)C1O Amb25093712 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.419 CCC1(C)CC(=O)C(C)=C1C Amb25834442 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.419 CCC1(C)N=C(C)C(C)=C1C Amb24395128 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.419 CCC1(C)OC(=O)N(C1=O)C Amb10843640 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.470 CC=1C(CC)C(=C)C(=O)C1O Amb24485892 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.470 CC=1C(CC)C(C)C(=O)C1O Amb24380756 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.470 CC=1C(CO)C(=C)C(=O)C1C Amb25087145 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.470 CN1C(=O)C(N)=C(C)N1CC Amb18944806 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.672 CC(C)C1CC(=O)N(O)C1=O Amb25330894 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.672 CC(C)C1NC(=O)N(O)C1=O Amb25766240 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.672 CC(C)C1OC(=O)C(O)C1C Amb25300361 [0,1,0,0,0,0|0,0,2]=3 236 B11R1.672 CC(C)C1OC(=O)C(O)C1O Amb25296123 [0,1,0,0,0,0|1,0,2]=4 237 B11R1.672 CC(C)[C@@H]1OC(=O)[C@@H](O)[C@H]1C Amb25221005 [0,1,0,0,0,0|0,0,2]=3 238 B11R1.672 CC(C)[C@@H]1OC(=O)[C@H](O)[C@H]1C Amb24620895 [0,1,0,0,0,0|0,0,2]=3 239 B11R1.672 CC(C)c1oc(C)c(C)c1C Amb20225982 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.672 CC(O)C1NC(=O)C(O)=C1O Amb25299310 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.672 CC(O)C1OC(=O)C(O)=C1Cl Amb25356173 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.672 CC(O)C1OC(=O)C(O)=C1O Amb24372033 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.672 CC=1C(=O)C(OC1O)C(C)C Amb24639385 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.672 CC=1C(=O)N[C@@H](C(C)C)C1O Amb25707857 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.672 CC=1C(=O)OC(C(C)C)C1O Amb25350173 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.672 CC=1C(OC(=O)C1C)C(N)=O Amb25111058 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.672 CC=1C(OC(=O)C1C)C(O)=O Amb24408855 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.672 CC=1[C@H](CC(=O)C1O)C(C)C Amb24466986 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.672 C[C@@H](O)[C@@H]1OC(=O)C(O)=C1Cl Amb24520117 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.672 C[C@@H](O)[C@@H]1OC(=O)C(O)C1O Amb25226343 [0,1,0,0,0,0|1,0,2]=4 251 B11R1.672 C[C@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O Amb24675447 [0,1,0,0,0,0|1,0,2]=4 252 B11R1.672 Cc1c(O)c(C)[n][n]1C(C)C Amb23450172 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.672 OC(O)C1OC(=O)C(O)=C1O Amb25150433 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.672 OC(O)[C@H]1OC(=O)C(O)=C1O Amb25149562 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.976 CC=1C(=O)NC(CBr)C1CC Amb25772982 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.976 CCC1CC(=O)C(O)=C1CC Amb25144596 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.976 COC1C(O)C(=O)OC1CC Amb24501863 [0,1,0,0,0,0|0,0,2]=3 258 B11R1.976 CO[C@@H]1[C@H](N)C(=O)O[C@@H]1CC Amb24513038 [0,1,0,0,0,0|1,0,2]=4 259 B11R1.976 CO[C@H]1[C@@H](CO)OC(=O)[C@@H]1O Amb25306433 [0,1,0,0,0,0|1,0,2]=4 260 B11R1.976 CO[C@H]1[C@H](CO)OC(=O)[C@@H]1O Amb24577021 [0,1,0,0,0,0|1,0,2]=4 261 B11R1.977 CCC1CC(CC)=C(O)C1=O Amb25272462 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.977 CCC1OC(CC)=C(O)C1=O Amb25151608 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.977 Cc1c(O)c(C=O)[n][n]1CC Amb18200826 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.978 CC=1CC(CC)C(=O)C1OC Amb24409722 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.978 COC1OC(=O)C(OC)=C1Cl Amb25232006 [0,1,0,0,0,0|2,0,0]=3 266 B9R0.6 CC(=C=CC)[C@H](O)C(O)=O Amb25083036 [0,0,1,0,0,0|0,0,3]=4 267 B9R0.6 CC(=O)C(=O)N(C)CCC Amb24357284 [0,0,1,0,0,0|2,0,1]=4 268 B9R0.6 CC(=O)C(O)C(=O)CCC Amb25686201 [0,0,1,0,0,0|2,0,1]=4 269 B9R0.6 CC(=O)[C@@H](O)C(=O)CCC Amb25317546 [0,0,1,0,0,0|2,0,1]=4 270 B9R0.6 CC(=O)[C@H](O)C(=O)CCC Amb25682412 [0,0,1,0,0,0|2,0,1]=4 271 B9R0.6 CC(C(N)=O)=C(N)CCC Amb25327676 [0,0,1,0,0,0|3,0,0]=4 272 B9R0.6 CC(CCC)=C(Br)C(O)=O Amb25365223 [0,0,1,0,0,0|1,0,0]=2 273 B9R0.6 CC(CCC)C(N)C(O)=O Amb20622789 [0,0,1,0,0,0|1,0,2]=4 274 B9R0.6 CC(CCC)C(S)C(O)=O Amb24438702 [0,0,1,0,0,0|0,1,2]=4 275 B9R0.6 CC(CCO)C(O)C(O)=O Amb24392760 [0,0,1,0,0,0|1,0,2]=4 276 B9R0.6 CC(NCC)=C(Cl)C(C)=O Amb25294344 [0,0,1,0,0,0|3,0,0]=4 277 B9R0.6 CC(NCC)C(O)C(O)=O Amb25679409 [0,0,1,0,0,0|1,0,2]=4 278 B9R0.6 CCCC(Br)C(O)C(O)=O Amb25229083 [0,0,1,0,0,0|1,0,2]=4 279 B9R0.6 CCCC(C)C(=O)C(O)=O Amb24747027 [0,0,1,0,0,0|0,0,2]=3 280 B9R0.6 CCCC(N)C(O)C(O)=O Amb20242874 [0,0,1,0,0,0|1,0,2]=4 281 B9R0.6 CCCC(O)C(=C)C(O)=O Amb25131217 [0,0,1,0,0,0|2,0,1]=4 282 B9R0.6 CCCN(C)[C@@H](C)C(O)=O Amb25834811 [0,0,1,0,0,0|2,0,1]=4 283 B9R0.6 CCC[C@@H](N)[C@@H](O)C(O)=O Amb22747816 [0,0,1,0,0,0|1,0,2]=4 284 B9R0.6 CCC[C@@H](N)[C@H](O)C(O)=O Amb22747809 [0,0,1,0,0,0|1,0,2]=4 285 B9R0.6 CCC[C@@H](O)[C@H](O)C(O)=O Amb24480722 [0,0,1,0,0,0|1,0,2]=4 286 B9R0.6 CCC[C@H](N)[C@H](O)C(O)=O Amb25084552 [0,0,1,0,0,0|1,0,2]=4 287 B9R0.6 CCC\C(\C)=C(/C)\C(C)=O Amb25318975 [0,0,1,0,0,0|2,0,0]=3 288 B9R0.6 CCOC(=O)C(=C)C(O)=O Amb25368796 [0,0,1,0,0,0|3,0,0]=4 289 B9R0.6 CCOC(C)=C(C)C(O)=O Amb24629929 [0,0,1,0,0,0|2,0,0]=3 290 B9R0.6 CCS\C(\C)=C(\C)/C(O)=O Amb24740679 [0,0,1,0,0,0|2,0,0]=3 291 B9R0.6 CN(CCO)C(=O)C(O)=O Amb18970475 [0,0,1,0,0,0|2,0,1]=4 292 B9R0.6 COCC(=C)C(O)C(O)=O Amb24607009 [0,0,1,0,0,0|1,0,2]=4 293 B9R0.6 COCC(O)=C(N)C(O)=O Amb25340695 [0,0,1,0,0,0|3,0,0]=4 294 B9R0.6 C[C@@H](CCC)[C@H](O)C(O)=O Amb25368297 [0,0,1,0,0,0|0,0,2]=3 295 B9R0.6 C[C@H](CCC)[C@H](N)C(O)=O Amb25062732 [0,0,1,0,0,0|1,0,2]=4 296 B9R0.6 C[C@H](CCC)[C@H](O)C(O)=O Amb25786123 [0,0,1,0,0,0|0,0,2]=3 297 B9R0.6 C[C@H](CCO)[C@H](O)C(O)=O Amb25122108 [0,0,1,0,0,0|1,0,2]=4 298 B9R0.6 C\C(=C/CC)\C(O)C(N)=O Amb25147605 [0,0,1,0,0,0|1,0,2]=4 299 B9R0.6 C\C(=C/CC)\[C@@H](O)C(C)=O Amb25821326 [0,0,1,0,0,0|1,0,2]=4 300 B9R0.6 C\C(=C\CC)\C(O)C(O)=O Amb24568401 [0,0,1,0,0,0|0,0,2]=3 301 B9R0.6 C\C(\C(O)=O)=C(/Br)\COC Amb18130266 [0,0,1,0,0,0|3,0,0]=4 302 B9R0.6 C\C(\C(O)=O)=C(\C)/CC=C Amb25239368 [0,0,1,0,0,0|1,0,2]=4 303 B9R0.6 C\C(\NCC)=C(/Br)\C(C)=O Amb25315000 [0,0,1,0,0,0|3,0,0]=4 304 B9R0.6 NCCC(Br)=C(Br)C(O)=O Amb25242610 [0,0,1,0,0,0|3,0,0]=4 305 B9R0.6 NCC\C(\Br)=C(/Br)\C(O)=O Amb25329273 [0,0,1,0,0,0|3,0,0]=4 306 B9R0.6 NCC\C(\Cl)=C(/Cl)\C(O)=O Amb25824170 [0,0,1,0,0,0|3,0,0]=4 307 B9R0.8 C=CC(O)C(=O)OCCF Amb25083317 [0,0,1,0,0,0|1,0,2]=4 308 B9R0.8 C=CCOC(=O)\C(=C\C)\C Amb16192930 [0,0,1,0,0,0|1,0,2]=4 309 B9R0.8 CC(=CC)C(=O)CCCC Amb25265828 [0,0,1,0,0,0|2,0,0]=3 310 B9R0.8 CC(=CC)C(=O)NCCC Amb24673224 [0,0,1,0,0,0|2,0,0]=3 311 B9R0.8 CC(=CC)C(=O)NOCC Amb24372572 [0,0,1,0,0,0|3,0,0]=4 312 B9R0.8 CC(=CC)C(=O)OCCC Amb25802721 [0,0,1,0,0,0|1,0,0]=2 313 B9R0.8 CC=C(Cl)C(=O)CCOC Amb25245304 [0,0,1,0,0,0|3,0,0]=4 314 B9R0.8 CCC(=C)C(=O)CCCC Amb25146831 [0,0,1,0,0,0|2,0,1]=4 315 B9R0.8 CCC(=C)C(=O)NCCC Amb24478886 [0,0,1,0,0,0|2,0,1]=4 316 B9R0.8 CCC(=O)C(=O)CCCC Amb25723805 [0,0,1,0,0,0|1,0,2]=4 317 B9R0.8 CCC(=O)C(=O)NCCC Amb25703151 [0,0,1,0,0,0|1,0,2]=4 318 B9R0.8 CCC(Br)C(=O)OCCC Amb18090817 [0,0,1,0,0,0|1,0,2]=4 319 B9R0.8 CCC(O)C(=O)OCCCl Amb24505283 [0,0,1,0,0,0|1,0,2]=4 320 B9R0.8 CCC(O)C(=O)OCCO Amb25845992 [0,0,1,0,0,0|1,0,2]=4 321 B9R0.8 CCC(S)C(=O)OCCC Amb25680878 [0,0,1,0,0,0|0,1,2]=4 322 B9R0.8 CCCCC(=O)C(=O)OC Amb22755702 [0,0,1,0,0,0|2,0,1]=4 323 B9R0.8 CCCCC(=O)C(=S)NC Amb24482026 [0,0,1,0,0,0|2,1,0]=4 324 B9R0.8 CCCCC(=O)C(Cl)=CC Amb25328885 [0,0,1,0,0,0|2,0,0]=3 325 B9R0.8 CCCCC(=O)C(F)=CF Amb24610142 [0,0,1,0,0,0|3,0,0]=4 326 B9R0.8 CCCCC(=O)C(O)CC Amb25792568 [0,0,1,0,0,0|1,0,2]=4 327 B9R0.8 CCCCC(=O)\C(\Cl)=C\C Amb25713487 [0,0,1,0,0,0|2,0,0]=3 328 B9R0.8 CCCCC(=O)\C(\F)=C\F Amb24478394 [0,0,1,0,0,0|3,0,0]=4 329 B9R0.8 CCCNC(=O)C(=C)OC Amb25309787 [0,0,1,0,0,0|3,0,0]=4 330 B9R0.8 CCCNC(=O)C(Cl)=CCl Amb24634054 [0,0,1,0,0,0|3,0,0]=4 331 B9R0.8 CCCOC(=O)C(=C)CBr Amb25082556 [0,0,1,0,0,0|2,0,1]=4 332 B9R0.8 CCCOC(=O)C(=O)CBr Amb25090635 [0,0,1,0,0,0|1,0,2]=4 333 B9R0.8 CCCOC(=O)C(C)NC Amb24477897 [0,0,1,0,0,0|2,0,1]=4 334 B9R0.8 CCCOC(=O)C(O)C=C Amb24685952 [0,0,1,0,0,0|0,0,2]=3 335 B9R0.8 CCCOC(=O)C(O)CO Amb24509365 [0,0,1,0,0,0|1,0,2]=4 336 B9R0.8 CCN(C)C(=O)OCCC Amb24671574 [0,0,1,0,0,0|2,0,1]=4 337 B9R0.8 CCN(O)C(=O)NCCC Amb24479030 [0,0,1,0,0,0|2,0,1]=4 338 B9R0.8 CCN(O)C(=O)OCCC Amb24746094 [0,0,1,0,0,0|1,0,1]=3 339 B9R0.8 CCN(O)C(=O)OCCO Amb25247252 [0,0,1,0,0,0|2,0,1]=4 340 B9R0.8 CC[C@@H](N)C(=O)OCCC Amb25361501 [0,0,1,0,0,0|1,0,2]=4 341 B9R0.8 CC[C@H](N)C(=O)OCCC Amb24371588 [0,0,1,0,0,0|1,0,2]=4 342 B9R0.8 COC(C)C(=O)OCCC Amb25365463 [0,0,1,0,0,0|2,0,1]=4 343 B9R0.8 C\C(=C/C)\C(=O)CCOC Amb25713534 [0,0,1,0,0,0|3,0,0]=4 344 B9R0.8 C\C(=C/C)\C(=O)CCSC Amb24478346 [0,0,1,0,0,0|3,0,0]=4 345 B9R0.8 C\C(=C/C)\C(=O)OCCCl Amb24480554 [0,0,1,0,0,0|2,0,0]=3 346 B9R0.8 C\C(=C/C)\C(=O)\C=C\CC Amb25693003 [0,0,1,0,0,0|2,0,1]=4 347 B9R0.8 C\C(=C\C)\C(=O)NCCN Amb24613772 [0,0,1,0,0,0|3,0,0]=4 348 B9R0.8 C\C(=C\C)\C(=O)OCC=O Amb24612032 [0,0,1,0,0,0|2,0,1]=4 349 B9R0.8 C\C(=C\C)\C(=O)OCCN Amb25214693 [0,0,1,0,0,0|2,0,0]=3 350 B9R0.8 C\C=C(/Cl)\C(=O)CCOC Amb24736382 [0,0,1,0,0,0|3,0,0]=4 351 B9R0.12 CC(C=O)C(CC=O)CC Amb18643909 [0,0,1,0,0,0|1,0,2]=4 352 B9R0.26 CCC(=O)OC(CC)C=C Amb24430616 [0,0,1,0,0,0|1,0,2]=4 353 B9R0.26 CCC(C#C)OC(=O)CO Amb24529209 [0,0,1,0,0,0|0,0,3]=4 354 B9R0.26 CCC(C=C)OC(=O)CO Amb24362344 [0,0,1,0,0,0|0,0,2]=3 355 B9R0.26 CCC(C=C)OC(=O)NC Amb25726876 [0,0,1,0,0,0|2,0,1]=4 356 B9R0.26 CCC(CC(=O)NO)CC Amb24362522 [0,0,1,0,0,0|2,0,1]=4 357 B9R0.26 CCC(CC(=O)NO)SC Amb25080774 [0,0,1,0,0,0|3,0,0]=4 358 B9R0.26 CCC(CC)NC(=O)CO Amb24478047 [0,0,1,0,0,0|1,0,2]=4 359 B9R0.27 CCC(C)C(C)C(O)C=O Amb25101847 [0,0,1,0,0,0|1,0,2]=4 360 B9R0.27 CCC(O)C(O)C(O)C=O Amb25833335 [0,0,1,0,0,0|1,0,2]=4 361 B9R0.27 OC[C@H](O)\C(\O)=C(/O)\C=O Amb25269544 [0,0,1,0,0,0|2,0,0]=3 362 B11R2.8 CC=1C(=O)CC2CSCC12 Amb25146849 [0,0,0,1,0,0|3,0,0]=4 363 B11R2.8 CC=1C(=O)C[C@@H]2COCC12 Amb24625644 [0,0,0,1,0,0|3,0,0]=4 364 B11R2.8 CC=1C(=O)C[C@H]2COCC12 Amb25729909 [0,0,0,1,0,0|3,0,0]=4 365 B11R2.8 Cc1oc2CCCc2c1Br Amb18187182 [0,0,0,1,0,0|2,0,1]=4 366 B11R2.8 Cc1oc2CCCc2c1N Amb18203046 [0,0,0,1,0,0|2,0,1]=4 367 B11R2.8 NC1C2CCCC2OC1=O Amb25218538 [0,0,0,1,0,0|1,0,2]=4 368 B11R2.8 O=C1CC2COCC2=C1Cl Amb25320185 [0,0,0,1,0,0|3,0,0]=4 369 B11R2.120 CC1C2NCCC1OC2=O Amb25689437 [0,0,0,1,0,0|1,0,2]=4 370 B11R2.120 C[C@H]1[C@@H]2NCC[C@H]1OC2=O Amb24597664 [0,0,0,1,0,0|1,0,2]=4 371 B11R2.494 CC=1C2CCC2C(=O)C1C Amb25145623 [0,0,0,1,0,0|2,0,0]=3 372 B9R1.28 CCC1=C(O)C(=O)C1=O Amb25713664 [0,0,0,0,1,0|1,0,2]=4 373 B11R1.8 CC1=CC(=O)OC(CO)C1C Amb25355894 [0,0,0,0,0,1|2,0,1]=4 374 B11R1.8 CC=1C(=O)NC(=O)OC1CC Amb24373500 [0,0,0,0,0,1|0,0,2]=3 375 B11R1.8 CCc1nc(N)nc(c1C)O Amb2387486 [0,0,0,0,0,1|2,0,1]=4 376 B11R1.8 COC1OC(=O)C=C(Cl)C1=O Amb25767009 [0,0,0,0,0,1|3,0,0]=4 377 B11R1.8 C[C@@H]1[C@@H](CC)OC(=O)CC1=O Amb24512662 [0,0,0,0,0,1|0,0,2]=3 378 B11R1.8 C[C@@H]1[C@H](CC)OC(=O)CC1=O Amb24582291 [0,0,0,0,0,1|0,0,2]=3 379 B11R1.8 C[C@H]1[C@@H](CC)OC(=O)CC1=O Amb24707034 [0,0,0,0,0,1|0,0,2]=3 380 B11R1.8 C[C@H]1[C@H](CC)OC(=O)CC1=O Amb25294371 [0,0,0,0,0,1|0,0,2]=3 381 B11R1.8 C[C@H]1[C@H](O)CC(=O)O[C@@H]1CC Amb24748549 [0,0,0,0,0,1|0,0,2]=3 382 B11R1.8 Cc1c(O)cc(O)cc1CC Amb18644511 [0,0,0,0,0,1|1,0,2]=4 383 B11R1.14 CC1=CC(CC)=CC(=O)C1=O Amb25319956 [0,0,0,0,0,1|1,0,2]=4 384 B11R1.14 CC1CC(CO)OC(=O)C1O Amb25136203 [0,0,0,0,0,1|1,0,2]=4 385 B11R1.14 CC=1C(=O)OC(CCl)=CC1C Amb24487850 [0,0,0,0,0,1|2,0,1]=4 386 B11R1.14 CC=1N=C(CC)NC(=O)C1Br Amb25351311 [0,0,0,0,0,1|2,0,1]=4 387 B11R1.14 CC=1N=C(CC)NC(=O)C1Cl Amb22435951 [0,0,0,0,0,1|2,0,1]=4 388 B11R1.14 CC=1N=C(CC)NC(=O)C1F Amb24643270 [0,0,0,0,0,1|2,0,1]=4 389 B11R1.14 CC=1OC(CO)=CC(=O)C1O Amb25713009 [0,0,0,0,0,1|2,0,1]=4 390 B11R1.14 CCC1CC(O)C(O)C(=O)O1 Amb24583700 [0,0,0,0,0,1|1,0,2]=4 391 B11R1.14 CC[C@H]1C[C@H](O)[C@@H](O)C(=O)O1 Amb24632154 [0,0,0,0,0,1|1,0,2]=4 392 B11R1.14 C[C@@H]1C[C@H](CO)OC(=O)[C@H]1O Amb24748522 [0,0,0,0,0,1|1,0,2]=4 393 B11R1.14 Cc1cc(CC)cc(N)c1O Amb24106106 [0,0,0,0,0,1|2,0,1]=4 394 B11R1.14 Cc1cc(CC)cc(O)c1O Amb24509408 [0,0,0,0,0,1|1,0,2]=4 395 B11R1.277 CC=1C=C(I)C(=O)NC1CC Amb23559839 [0,0,0,0,0,1|2,0,1]=4 396 B11R1.277 CCC=1OC(=O)C(Cl)=NC1Cl Amb24485949 [0,0,0,0,0,1|2,0,1]=4 397 B11R1.277 Cc1cc(CC)c(C)cc1O Amb24475204 [0,0,0,0,0,1|2,0,1]=4 398 B11R1.277 Cc1cc(O)c(O)cc1CC Amb24686501 [0,0,0,0,0,1|1,0,2]=4 399 B11R1.278 CC1=C(O)C(=O)C=CN1CC Amb18043727 [0,0,0,0,0,1|2,0,0]=3 400 B11R1.278 CC1=COC(CC)C(C)C1=O Amb25347533 [0,0,0,0,0,1|1,0,2]=4 401 B11R1.278 CC1=CO[C@H](CC)[C@H](C)C1=O Amb25262667 [0,0,0,0,0,1|1,0,2]=4 402 B11R1.278 CCC1CCC(=O)C(C)=C1C Amb25086582 [0,0,0,0,0,1|2,0,0]=3 403 B11R1.278 CCN1C=CC(=O)C(O)=C1F Amb25125749 [0,0,0,0,0,1|3,0,0]=4 404 B11R1.278 CCn1ccc(=O)c(c1C)O Amb17543390 [0,0,0,0,0,1|2,0,0]=3 405 B11R1.278 OC1C(=O)COC(CO)C1=O Amb25768548 [0,0,0,0,0,1|2,0,1]=4 406 B11R1.278 OCC1OCC(=O)C(O)=C1O Amb25723282 [0,0,0,0,0,1|2,0,0]=3 407 B8R0.2 C=C(C(O)CO)C(O)=O Amb18642874 [1,0,1,0,0,0|1,0,1]=4 408 B8R0.2 CC(=C(O)CC)C(C)=O Amb25264815 [1,0,1,0,0,0|1,0,1]=4 409 B8R0.2 CC(C(F)CC)C(O)=O Amb25836213 [1,0,1,0,0,0|1,0,1]=4 410 B8R0.2 CC(C(N)CC)C(O)=O Amb18832531 [1,0,1,0,0,0|1,0,1]=4 411 B8R0.2 CC(C(O)=O)=C(Cl)CC Amb24719968 [1,0,1,0,0,0|1,0,1]=4 412 B8R0.2 CC(CC)=C(F)C(O)=O Amb25305731 [1,0,1,0,0,0|1,0,0]=3 413 B8R0.2 CC(CC)C(O)C(O)=O Amb18288809 [1,0,1,0,0,0|0,0,2]=4 414 B8R0.2 CC(CC)[C@@H](O)C(O)=O Amb25083795 [1,0,1,0,0,0|0,0,2]=4 415 B8R0.2 CC(CC)[C@H](O)C(O)=O Amb24700212 [1,0,1,0,0,0|0,0,2]=4 416 B8R0.2 CC(CO)=C(N)C(O)=O Amb25031515 [1,0,1,0,0,0|2,0,0]=4 417 B8R0.2 CC(CO)=C(O)C(O)=O Amb25757908 [1,0,1,0,0,0|1,0,0]=3 418 B8R0.2 CCC(C(C(=O)O)C)O Amb10844267 [1,0,1,0,0,0|0,0,1]=3 419 B8R0.2 CCC(C)=C(C)C(C)=O Amb24721878 [1,0,1,0,0,0|2,0,0]=4 420 B8R0.2 CCC(C)C(=C)C(O)=O Amb18642655 [1,0,1,0,0,0|1,0,1]=4 421 B8R0.2 CCC(C)C(=O)C(O)=O Amb22731530 [1,0,1,0,0,0|0,0,2]=4 422 B8R0.2 CCC(C)C(C)C(O)=O Amb18290719 [1,0,1,0,0,0|1,0,1]=4 423 B8R0.2 CCC(N)C(=C)C(O)=O Amb24558624 [1,0,1,0,0,0|1,0,1]=4 424 B8R0.2 CCC(O)C(=C)C(N)=O Amb25265250 [1,0,1,0,0,0|1,0,1]=4 425 B8R0.2 CCC(O)C(N)C(O)=O Amb18203168 [1,0,1,0,0,0|1,0,1]=4 426 B8R0.2 CCC(O)C(O)C(O)=O Amb24441607 [1,0,1,0,0,0|1,0,1]=4 427 B8R0.2 CCC(O)[C@@H](N)C(O)=O Amb22750712 [1,0,1,0,0,0|1,0,1]=4 428 B8R0.2 CCC(O)[C@H](N)C(O)=O Amb24364655 [1,0,1,0,0,0|1,0,1]=4 429 B8R0.2 CCC([C@@H](C(=O)O)C)C Amb10844495 [1,0,1,0,0,0|1,0,1]=4 430 B8R0.2 CC[C@@H](C)C(=O)C(O)=O Amb25129590 [1,0,1,0,0,0|0,0,2]=4 431 B8R0.2 CC[C@@H](O)[C@@H](N)C(O)=O Amb24087716 [1,0,1,0,0,0|1,0,1]=4 432 B8R0.2 CC[C@@H](O)[C@H](N)C(O)=O Amb24105353 [1,0,1,0,0,0|1,0,1]=4 433 B8R0.2 CC[C@@H](O)[C@H](O)C(O)=O Amb24431211 [1,0,1,0,0,0|1,0,1]=4 434 B8R0.2 CC[C@@H]([C@@H](C(=O)O)C)C Amb10844498 [1,0,1,0,0,0|1,0,1]=4 435 B8R0.2 CC[C@@H]([C@H](C(=O)O)O)C Amb10576171 [1,0,1,0,0,0|0,0,2]=4 436 B8R0.2 CC[C@H](C)C(=C)C(O)=O Amb24699439 [1,0,1,0,0,0|1,0,1]=4 437 B8R0.2 CC[C@H](C)[C@@H](C)C(O)=O Amb25056174 [1,0,1,0,0,0|1,0,1]=4 438 B8R0.2 CC[C@H](N)C(=C)C(O)=O Amb24468573 [1,0,1,0,0,0|1,0,1]=4 439 B8R0.2 CC\C(\C)=C(\C)/C(C)=O Amb25767749 [1,0,1,0,0,0|2,0,0]=4 440 B8R0.2 C[C@@H](CC)C(O)C(O)=O Amb25088995 [1,0,1,0,0,0|0,0,2]=4 441 B8R0.2 C[C@@H]([C@@H](O)CC)C(O)=O Amb24427100 [1,0,1,0,0,0|0,0,1]=3 442 B8R0.2 C[C@@H]([C@H](N)CC)C(O)=O Amb24496209 [1,0,1,0,0,0|1,0,1]=4 443 B8R0.2 C[C@@H]([C@H](O)CC)C(C)=C Amb24672493 [1,0,1,0,0,0|1,0,1]=4 444 B8R0.2 C[C@@H]([C@H](O)CC)C(O)=O Amb24472165 [1,0,1,0,0,0|0,0,1]=3 445 B8R0.2 C[C@H](CC)[C@H](O)C(O)=O Amb25703176 [1,0,1,0,0,0|0,0,2]=4 446 B8R0.2 C[C@H]([C@@H](O)CC)C(C)=O Amb25096669 [1,0,1,0,0,0|1,0,1]=4 447 B8R0.2 C[C@H]([C@H](N)CC)C(O)=O Amb25737884 [1,0,1,0,0,0|1,0,1]=4 448 B8R0.2 C\C(=C(\O)/CC)\C(C)=O Amb25318800 [1,0,1,0,0,0|1,0,1]=4 449 B8R0.2 C\C(=C\C)\C(O)C(O)=O Amb24495368 [1,0,1,0,0,0|0,0,2]=4 450 B8R0.2 C\C(\C(C)C)=C(\C)/C=O Amb25365967 [1,0,1,0,0,0|2,0,0]=4 451 B8R0.3 CC(=CC)C(=N)OCC Amb25248637 [1,0,1,0,0,0|2,0,0]=4 452 B8R0.3 CC(=CC)C(=O)OCC Amb24718920 [1,0,1,0,0,0|1,0,0]=3 453 B8R0.3 CC(=CO)C(=O)CCC Amb24642051 [1,0,1,0,0,0|2,0,0]=4 454 B8R0.3 CC(=CO)C(=O)OCC Amb25802793 [1,0,1,0,0,0|2,0,0]=4 455 B8R0.3 CC(CC)\C(\C)=C\C=O Amb18642477 [1,0,1,0,0,0|1,0,0]=3 456 B8R0.3 CC(CCC)C(O)C=O Amb25051559 [1,0,1,0,0,0|0,0,2]=4 457 B8R0.3 CC(\C=C\C)C(O)CC Amb24354355 [1,0,1,0,0,0|1,0,1]=4 458 B8R0.3 CC(\C=C\Cl)C(O)CC Amb24639494 [1,0,1,0,0,0|1,0,1]=4 459 B8R0.3 CCC(=C)C(=O)OCC Amb22353551 [1,0,1,0,0,0|1,0,1]=4 460 B8R0.3 CCC(=N)C(=O)OCC Amb24063521 [1,0,1,0,0,0|1,0,1]=4 461 B8R0.3 CCCC(=O)C(=O)C=C Amb24690817 [1,0,1,0,0,0|0,0,2]=4 462 B8R0.3 CCCC(=O)C(=O)OC Amb22755107 [1,0,1,0,0,0|1,0,1]=4 463 B8R0.3 CCCC(=O)C(Br)=CO Amb25712107 [1,0,1,0,0,0|2,0,0]=4 464 B8R0.3 CCCC(=O)C(Cl)=CC Amb25252050 [1,0,1,0,0,0|1,0,0]=3 465 B8R0.3 CCCC(=O)C(Cl)=CCl Amb25146212 [1,0,1,0,0,0|2,0,0]=4 466 B8R0.3 CCCC(=O)\C(\Cl)=C/Cl Amb25707513 [1,0,1,0,0,0|2,0,0]=4 467 B8R0.3 CCCC(=O)\C(\O)=C\O Amb25032161 [1,0,1,0,0,0|1,0,0]=3 468 B8R0.3 CCCC(C)C(F)=CO Amb25315656 [1,0,1,0,0,0|1,0,1]=4 469 B8R0.3 CCCC(O)=C(Br)C=O Amb25218270 [1,0,1,0,0,0|2,0,0]=4 470 B8R0.3 CCC\C(\O)=C(/Br)\C=O Amb25309454 [1,0,1,0,0,0|2,0,0]=4 471 B8R0.3 CCN(O)C(=O)CCC Amb24763926 [1,0,1,0,0,0|1,0,1]=4 472 B8R0.3 CCOC(=O)C(/C)=C\O Amb17844070 [1,0,1,0,0,0|2,0,0]=4 473 B8R0.3 CCOC(=O)C(=N)SC Amb25795405 [1,0,1,0,0,0|2,0,0]=4 474 B8R0.3 CCOC(=O)C(=O)CC Amb15701231 [1,0,1,0,0,0|0,0,2]=4 475 B8R0.3 CCOC(=O)C(=S)NC Amb24681047 [1,0,1,0,0,0|1,1,0]=4 476 B8R0.3 CCOC(=O)C(Cl)=NC Amb24395155 [1,0,1,0,0,0|2,0,0]=4 477 B8R0.3 CCOC(=O)C(N)=CN Amb24571281 [1,0,1,0,0,0|2,0,0]=4 478 B8R0.3 CCOC(=O)C(O)C=O Amb24683380 [1,0,1,0,0,0|1,0,1]=4 479 B8R0.3 CCOC(=O)\C(\Br)=C\Br Amb24339171 [1,0,1,0,0,0|2,0,0]=4 480 B8R0.3 CCOC(=O)\C(\N)=C\N Amb25810118 [1,0,1,0,0,0|2,0,0]=4 481 B8R0.3 CC[C@@H](O)C(=O)CCC Amb24644422 [1,0,1,0,0,0|0,0,2]=4 482 B8R0.3 COC(=O)C(=O)OCC Amb25245154 [1,0,1,0,0,0|1,0,1]=4 483 B8R0.3 C[C@@H](C=O)[C@@H](C)OC=O Amb24647803 [1,0,1,0,0,0|0,0,2]=4 484 B8R0.3 C[C@@H](C=O)[C@H](C)OC=O Amb24529067 [1,0,1,0,0,0|0,0,2]=4 485 B8R0.3 C[C@@H](NC=O)[C@@H](O)CC Amb24461738 [1,0,1,0,0,0|1,0,1]=4 486 B8R0.3 C[C@@H](\C=C\C)[C@@H](O)CC Amb25083484 [1,0,1,0,0,0|1,0,1]=4 487 B8R0.3 C[C@H](C=O)[C@@H](C)OC=O Amb25687382 [1,0,1,0,0,0|0,0,2]=4 488 B8R0.3 C[C@H](C=O)[C@H](C)OC=O Amb25371852 [1,0,1,0,0,0|0,0,2]=4 489 B8R0.3 C[C@H](\C=C/Cl)[C@H](O)CC Amb25059161 [1,0,1,0,0,0|1,0,1]=4 490 B8R0.3 C[C@H](\C=C\C)[C@H](O)CC Amb25226618 [1,0,1,0,0,0|1,0,1]=4 491 B8R0.3 C\C(=C/Br)\C(=O)OCC Amb19889793 [1,0,1,0,0,0|2,0,0]=4 492 B8R0.3 C\C(=C/CC)\C(O)CC Amb22052676 [1,0,1,0,0,0|1,0,1]=4 493 B8R0.3 C\C(=C/N)\C(=O)OCC Amb25077150 [1,0,1,0,0,0|2,0,0]=4 494 B8R0.3 C\C(=C\Cl)\C(=O)OCC Amb25045062 [1,0,1,0,0,0|2,0,0]=4 495 B8R0.3 C\C(\C=O)=C(\O)/CCC Amb25313114 [1,0,1,0,0,0|2,0,0]=4 496 B8R0.5 CC(=CC(N)=O)OCC Amb25773866 [1,0,1,0,0,0|2,0,0]=4 497 B8R0.5 CC(=CC(O)=O)OCC Amb25770190 [1,0,1,0,0,0|1,0,0]=3 498 B8R0.5 CC(=CC(O)=O)SCC Amb25229812 [1,0,1,0,0,0|1,0,0]=3 499 B8R0.5 CC(=O)C=C(N)CCC Amb25145980 [1,0,1,0,0,0|2,0,0]=4 500 B8R0.5 CC(=O)\C=C(\C)/CCN Amb20621191 [1,0,1,0,0,0|2,0,0]=4 501 B8R0.5 CC(=O)\C=C(\Cl)/CCC Amb24339441 [1,0,1,0,0,0|2,0,0]=4 502 B8R0.5 CC(CCO)=CC(O)=O Amb25213064 [1,0,1,0,0,0|1,0,0]=3 503 B8R0.5 CC(CCS)=CC(O)=O Amb25328912 [1,0,1,0,0,0|1,0,0]=3 504 B8R0.5 CC(CNC)=CC(O)=O Amb25126794 [1,0,1,0,0,0|1,0,0]=3 505 B8R0.5 CC(CNO)=CC(O)=O Amb25702672 [1,0,1,0,0,0|2,0,0]=4 506 B8R0.5 CC(COC)=CC(O)=O Amb25311787 [1,0,1,0,0,0|1,0,0]=3 507 B8R0.5 CC(CSC)=CC(O)=O Amb25364860 [1,0,1,0,0,0|1,0,0]=3 508 B8R0.5 CCCC(=C)CC(O)=O Amb18642622 [1,0,1,0,0,0|0,0,2]=4 509 B8R0.5 CCCN(C)CC(O)=O Amb19373314 [1,0,1,0,0,0|1,0,1]=4 510 B8R0.5 CCC[C@@H](C)CC(O)=O Amb24622486 [1,0,1,0,0,0|0,0,2]=4 511 B8R0.5 CCC[C@@H](CC(=O)O)C Amb10844381 [1,0,1,0,0,0|0,0,2]=4 512 B8R0.5 CCC\C(\C)=C/C(C)=O Amb24676836 [1,0,1,0,0,0|1,0,0]=3 513 B8R0.5 CCC\C(\C)=C\C(C)=O Amb25735089 [1,0,1,0,0,0|1,0,0]=3 514 B8R0.5 CCC\C(\F)=C/C(O)=O Amb25359319 [1,0,1,0,0,0|1,0,0]=3 515 B8R0.5 CCC\C(\N)=C\C(N)=O Amb24411410 [1,0,1,0,0,0|2,0,0]=4 516 B8R0.5 CCN\C(=C\C(=O)C)\C Amb10602727 [1,0,1,0,0,0|2,0,0]=4 517 B8R0.5 C\C(=C/C(=O)O)\CCC Amb10610367 [1,0,1,0,0,0|0,0,0]=2 518 B8R0.5 C\C(=C/C(C)=O)\OCC Amb25373030 [1,0,1,0,0,0|2,0,0]=4 519 B8R0.5 C\C(=C/C(C)=O)\SCC Amb25031784 [1,0,1,0,0,0|2,0,0]=4 520 B8R0.5 C\C(=C/C(O)=O)\C#CC Amb24644658 [1,0,1,0,0,0|0,0,2]=4 521 B8R0.5 C\C(=C\C(C)=O)\NCC Amb20241597 [1,0,1,0,0,0|2,0,0]=4 522 B8R0.5 C\C(=C\C(C)=O)\OCC Amb25147210 [1,0,1,0,0,0|2,0,0]=4 523 B8R0.5 C\C(=C\C(O)=O)\OCC Amb18642786 [1,0,1,0,0,0|1,0,0]=3 524 B8R0.5 C\C(\CC(O)=O)=C/CC Amb25087318 [1,0,1,0,0,0|0,0,2]=4 525 B8R0.5 C\C(\CC(O)=O)=C\CC Amb24562251 [1,0,1,0,0,0|0,0,2]=4 526 B8R0.5 C\C(\CC=C)=C\C(O)=O Amb25810544 [1,0,1,0,0,0|0,0,2]=4 527 B8R0.5 C\C(\CCC)=C\C(O)=O Amb24055711 [1,0,1,0,0,0|0,0,0]=2 528 B8R0.5 C\C(\CNC)=C/C(O)=O Amb24384927 [1,0,1,0,0,0|1,0,0]=3 529 B8R0.8 C=C(F)C(=O)OCCCl Amb25141228 [1,0,1,0,0,0|2,0,0]=4 530 B8R0.8 C=C(F)C(=O)OCCO Amb25329641 [1,0,1,0,0,0|2,0,0]=4 531 B8R0.8 CC(=C)C(=O)OCCBr Amb17933963 [1,0,1,0,0,0|2,0,0]=4 532 B8R0.8 CC(=C)C(=O)OCCC Amb17933169 [1,0,1,0,0,0|1,0,0]=3 533 B8R0.8 CC(=C)C(=O)OCCCl Amb17933973 [1,0,1,0,0,0|2,0,0]=4 534 B8R0.8 CC(=C)C(=O)OCCF Amb10839749 [1,0,1,0,0,0|2,0,0]=4 535 B8R0.8 CC(=C)C(=O)OCCO Amb24061252 [1,0,1,0,0,0|2,0,0]=4 536 B8R0.8 CC(=CCCF)C(O)=O Amb24359141 [1,0,1,0,0,0|2,0,0]=4 537 B8R0.8 CC(=O)C(=O)OCCC Amb25838665 [1,0,1,0,0,0|0,0,1]=3 538 B8R0.8 CC(=O)\C(\Cl)=C\CCC Amb24388360 [1,0,1,0,0,0|2,0,0]=4 539 B8R0.8 CC(O)C(=O)OCCO Amb24061251 [1,0,1,0,0,0|1,0,1]=4 540 B8R0.8 CCCCC(=C)C(O)=O Amb18642649 [1,0,1,0,0,0|1,0,1]=4 541 B8R0.8 CCCCC(=O)C(=C)F Amb25298399 [1,0,1,0,0,0|2,0,0]=4 542 B8R0.8 CCCCC(=O)C(O)=O Amb18642761 [1,0,1,0,0,0|0,0,2]=4 543 B8R0.8 CCCCC(=O)C(O)=O Amb22348245 [1,0,1,0,0,0|0,0,2]=4 544 B8R0.8 CCCCC(=O)[C@@H](C)O Amb25829551 [1,0,1,0,0,0|1,0,1]=4 545 B8R0.8 CCCCC(=O)[C@H](C)O Amb25097116 [1,0,1,0,0,0|1,0,1]=4 546 B8R0.8 CCCNC(=O)C(=O)C Amb17399819 [1,0,1,0,0,0|1,0,1]=4 547 B8R0.8 CCCNC(=O)[C@@H](C)O Amb25317170 [1,0,1,0,0,0|1,0,1]=4 548 B8R0.8 CCCOC(=C)C(O)=O Amb18642781 [1,0,1,0,0,0|2,0,0]=4 549 B8R0.8 CCCOC(=O)C(C)Br Amb24351605 [1,0,1,0,0,0|1,0,1]=4 550 B8R0.8 CCCOC(=O)C(N)=O Amb25146150 [1,0,1,0,0,0|1,0,1]=4 551 B8R0.8 CCCOC(=O)N(C)O Amb24605999 [1,0,1,0,0,0|1,0,0]=3 552 B8R0.8 CCCOC(=O)[C@@H](C)O Amb22746511 [1,0,1,0,0,0|0,0,1]=3 553 B8R0.8 CCC\C=C(/N)\C(N)=O Amb25146004 [1,0,1,0,0,0|2,0,0]=4 554 B8R0.8 CCC\C=C(\C(=O)C)/C Amb17593317 [1,0,1,0,0,0|2,0,0]=4 555 B8R0.8 CCC\C=C(\N)/C(N)=O Amb24515061 [1,0,1,0,0,0|2,0,0]=4 556 B8R0.8 CCO\C=C(/F)\C(O)=O Amb25128018 [1,0,1,0,0,0|2,0,0]=4 557 B8R0.8 COCOC(=O)[C@H](C)O Amb25073267 [1,0,1,0,0,0|1,0,1]=4 558 B8R0.8 COC\C=C(\Br)/C(O)=O Amb24580462 [1,0,1,0,0,0|2,0,0]=4 559 B8R0.8 C[C@@H](O)C(=O)OCCF Amb24704558 [1,0,1,0,0,0|1,0,1]=4 560 B8R0.8 C\C(=C/CCC)\C(=O)O Amb10844998 [1,0,1,0,0,0|1,0,0]=3 561 B8R0.8 C\C(=C\CCC)\C(O)=O Amb25032199 [1,0,1,0,0,0|1,0,0]=3 562 B8R0.8 C\C(=C\OCC)\C(O)=O Amb25741753 [1,0,1,0,0,0|2,0,0]=4 563 B8R0.8 C\C=C\C=C(O)C(O)=O Amb24550203 [1,0,1,0,0,0|0,0,2]=4 564 B8R0.8 OC(=O)C(=O)OCCCl Amb25378823 [1,0,1,0,0,0|2,0,0]=4 565 B8R0.1 CC#CC(=O)OCCC Amb25250647 [1,0,1,0,0,0|0,0,2]=4 566 B8R0.1 CC=CC(=O)NCCC Amb22364983 [1,0,1,0,0,0|1,0,0]=3 567 B8R0.1 CC=CC(=O)\C=C\CC Amb25179445 [1,0,1,0,0,0|1,0,1]=4 568 B8R0.1 CCCCC(=O)\C=C\Cl Amb24650002 [1,0,1,0,0,0|2,0,0]=4 569 B8R0.1 CCCCC(=O)\C=C\S Amb24695018 [1,0,1,0,0,0|2,0,0]=4 570 B8R0.1 CCCOC(=O)CC=O Amb24683609 [1,0,1,0,0,0|1,0,1]=4 571 B8R0.1 CCCOC(=O)CSC Amb24471191 [1,0,1,0,0,0|1,0,1]=4 572 B8R0.1 COCC(=O)OCCC Amb20622000 [1,0,1,0,0,0|1,0,1]=4 573 B8R0.1 C\C=C\C(=O)C#CCC Amb24544640 [1,0,1,0,0,0|1,0,1]=4 574 B8R0.1 C\C=C\C(=O)CCCBr Amb24479946 [1,0,1,0,0,0|2,0,0]=4 575 B8R0.1 C\C=C\C(=O)CCCC Amb22043314 [1,0,1,0,0,0|1,0,0]=3 576 B8R0.1 C\C=C\C(=O)COCC Amb25779716 [1,0,1,0,0,0|2,0,0]=4 577 B8R0.1 C\C=C\C(=O)NCCF Amb24449669 [1,0,1,0,0,0|2,0,0]=4 578 B8R0.1 C\C=C\C(=O)NCCN Amb18289751 [1,0,1,0,0,0|2,0,0]=4 579 B8R0.1 C\C=C\C(=O)OCC#C Amb25682598 [1,0,1,0,0,0|0,0,2]=4 580 B8R0.1 C\C=C\C(=O)OCCC Amb22231396 [1,0,1,0,0,0|0,0,0]=2 581 B8R0.1 C\C=C\C(=O)OCCF Amb24354742 [1,0,1,0,0,0|1,0,0]=3 582 B8R0.1 C\C=C\C(=O)OCCN Amb24476692 [1,0,1,0,0,0|1,0,0]=3 583 B8R0.1 C\C=C\C(=O)OCCO Amb25332335 [1,0,1,0,0,0|1,0,0]=3 584 B8R0.1 C\C=C\C(=O)\C=C\CC Amb25370706 [1,0,1,0,0,0|1,0,1]=4 585 B8R0.6 CCCO\C=C(/C)\C=O Amb24679011 [1,0,1,0,0,0|2,0,0]=4 586 B8R0.15 CC(O)C(CC)NC=O Amb25286905 [1,0,1,0,0,0|1,0,1]=4 587 B8R0.15 CC[C@@H](NC=O)C(O)=O Amb24700206 [1,0,1,0,0,0|2,0,0]=4 588 B8R0.15 C[C@H](Cl)[C@H](CC)OC=O Amb24480269 [1,0,1,0,0,0|1,0,1]=4 589 B8R0.20 CC(C=C)C(CC)C=O Amb25041146 [1,0,1,0,0,0|1,0,1]=4 590 B8R0.20 CC(C=O)C(CC)C=O Amb25303008 [1,0,1,0,0,0|0,0,2]=4 591 B8R0.22 CCC(CC=O)OC=O Amb24383242 [1,0,1,0,0,0|0,0,2]=4 592 B8R0.22 CC[C@@H](CC=O)OC=O Amb24435379 [1,0,1,0,0,0|0,0,2]=4 593 B8R0.11 CCC(CC)O\C=C\Cl Amb25303093 [1,0,1,0,0,0|1,0,1]=4 594 B8R0.16 CC(=O)OC(CC)CC Amb24617396 [1,0,1,0,0,0|0,0,2]=4 595 B8R0.16 CCC(C=C)OC(C)=O Amb24325174 [1,0,1,0,0,0|0,0,2]=4 596 B8R0.16 CCC(C=O)OC(C)=O Amb18642754 [1,0,1,0,0,0|1,0,1]=4 597 B8R0.16 CCC(CC(O)=O)C=C Amb18642661 [1,0,1,0,0,0|1,0,1]=4 598 B8R0.16 CCC(CC(O)=O)C=O Amb25372312 [1,0,1,0,0,0|2,0,0]=4 599 B8R0.16 CCC(CC(O)=O)NC Amb25190337 [1,0,1,0,0,0|2,0,0]=4 600 B8R0.16 CCC(CC(O)=O)OC Amb19037306 [1,0,1,0,0,0|2,0,0]=4 601 B8R0.16 CCC(CC(O)=O)SC Amb18316304 [1,0,1,0,0,0|2,0,0]=4 602 B8R0.16 CCC(CC)OC(N)=O Amb24614586 [1,0,1,0,0,0|1,0,1]=4 603 B8R0.16 CC\C(\CC(O)=O)=C/C Amb18642626 [1,0,1,0,0,0|1,0,1]=4 604 B8R0.16 COC(CC)OC(N)=O Amb25055387 [1,0,1,0,0,0|2,0,0]=4 605 B8R0.19 CC(CC)\C=C(/C)\C=O Amb18642478 [1,0,1,0,0,0|2,0,0]=4 606 B8R0.19 CCC(Br)OC(=O)C=C Amb24480104 [1,0,1,0,0,0|2,0,0]=4 607 B8R0.19 CCC(C)CC(=O)C=C Amb25134056 [1,0,1,0,0,0|2,0,0]=4 608 B8R0.19 CCC(C)OC(=O)C=C Amb22733882 [1,0,1,0,0,0|1,0,0]=3 609 B8R0.19 CCC(C)OC(=O)C=O Amb25311231 [1,0,1,0,0,0|0,0,1]=3 610 B8R0.19 CCC(C)OC(=O)CN Amb18307959 [1,0,1,0,0,0|1,0,1]=4 611 B8R0.19 CCC(O)CC(O)C=O Amb25770125 [1,0,1,0,0,0|0,0,2]=4 612 B8R0.19 CCC(O)OC(=O)C=C Amb24734213 [1,0,1,0,0,0|2,0,0]=4 613 B8R0.19 CC[C@H](C)NC(=O)C=C Amb24398563 [1,0,1,0,0,0|2,0,0]=4 614 B8R0.19 C\C(\C=C)=C\C(O)CC Amb25226679 [1,0,1,0,0,0|2,0,0]=4 615 B8R0.19 C\C(\C=O)=C\C(O)CC Amb25205229 [1,0,1,0,0,0|1,0,0]=3 616 B8R1.1 C=C[C@@H]1C=CC(=O)O1 Amb25106519 [2,0,0,0,0,0|0,0,2]=4 617 B8R1.1 CCC1C=CC(=O)O1 Amb23571855 [2,0,0,0,0,0|0,0,0]=2 618 B8R1.1 CCC1C=CC(=O)S1 Amb24638103 [2,0,0,0,0,0|0,1,0]=3 619 B8R1.1 CCC1CC(=O)C=C1 Amb25713811 [2,0,0,0,0,0|1,0,0]=3 620 B8R1.1 CC[C@@H]1CNC(=O)O1 Amb24507830 [2,0,0,0,0,0|1,0,1]=4 621 B8R1.1 CC[C@H]1CCC(=O)O1 Amb25795415 [2,0,0,0,0,0|0,0,2]=4 622 B8R1.1 CCc1cc(O)[n]o1 Amb22754624 [2,0,0,0,0,0|1,0,1]=4 623 B8R1.1 CCc1ccc(o1)Br Amb10600653 [2,0,0,0,0,0|1,0,1]=4 624 B8R1.1 CCc1ccc(o1)N Amb10600654 [2,0,0,0,0,0|1,0,1]=4 625 B8R1.1 CCn1cc(cn1)O Amb1945379 [2,0,0,0,0,0|2,0,0]=4 626 B8R1.1 COC1C=CC(=O)N1 Amb24444246 [2,0,0,0,0,0|2,0,0]=4 627 B8R1.1 COC1C=CC(=O)O1 Amb22490509 [2,0,0,0,0,0|1,0,0]=3 628 B8R1.1 COC1CC(=O)C=C1 Amb24425404 [2,0,0,0,0,0|2,0,0]=4 629 B8R1.1 CO[C@@H]1C=CC(=O)O1 Amb25144040 [2,0,0,0,0,0|1,0,0]=3 630 B8R1.1 CO[C@H]1CC(=O)C=C1 Amb25689601 [2,0,0,0,0,0|2,0,0]=4 631 B8R1.1 C\C=C\1/C=CC(=O)O1 Amb24558315 [2,0,0,0,0,0|0,0,2]=4 632 B8R1.1 C\N=C\1/C=CC(=O)O1 Amb24707968 [2,0,0,0,0,0|1,0,1]=4 633 B8R1.1 Cc1ccc(CC)o1 Amb22235241 [2,0,0,0,0,0|1,0,1]=4 634 B8R1.1 Cc1coc(CC)c1 Amb24451308 [2,0,0,0,0,0|1,0,1]=4 635 B8R1.1 N#CC1C=CC(=O)O1 Amb24481486 [2,0,0,0,0,0|1,0,1]=4 636 B8R1.1 O=C1C=CC(CBr)O1 Amb24423424 [2,0,0,0,0,0|1,0,0]=3 637 B8R1.1 O=CC1C=CC(=O)O1 Amb24528815 [2,0,0,0,0,0|1,0,1]=4 638 B8R1.1 OCC1C=CC(=O)N1 Amb24544831 [2,0,0,0,0,0|2,0,0]=4 639 B8R1.1 OC[C@@H]1CC(=O)C=C1 Amb25373368 [2,0,0,0,0,0|2,0,0]=4 640 B8R1.1 OC[C@H]1C=CC(=O)N1 Amb25225281 [2,0,0,0,0,0|2,0,0]=4 641 B8R1.1 OC[C@H]1CC(=O)C=C1 Amb25093663 [2,0,0,0,0,0|2,0,0]=4 642 B8R1.1 Oc1cc(CS)oc1 Amb25330756 [2,0,0,0,0,0|1,0,1]=4 643 B8R1.11 CC[n]1cccc1C Amb24541070 [2,0,0,0,0,0|2,0,0]=4 644 B8R1.11 CCc1[nH]ccc1C Amb17938705 [2,0,0,0,0,0|1,0,1]=4 645 B8R1.11 CCc1occc1F Amb25223961 [2,0,0,0,0,0|1,0,1]=4 646 B8R1.11 Cc1cc[s]c1CC Amb25069402 [2,0,0,0,0,0|0,1,1]=4 647 B8R1.11 Cc1ccoc1CBr Amb18183895 [2,0,0,0,0,0|1,0,1]=4 648 B8R1.11 OC[C@@H]1OC=CC1=O Amb17678799 [2,0,0,0,0,0|2,0,0]=4 649 B8R1.11 OC[C@H]1OC=CC1=O Amb25319926 [2,0,0,0,0,0|2,0,0]=4 650 B8R1.18 CC1=CC(=O)C=C1C Amb25373072 [2,0,0,0,0,0|1,0,1]=4 651 B8R1.18 CC1=CC(=O)CC1Br Amb24552421 [2,0,0,0,0,0|2,0,0]=4 652 B8R1.18 CC1=CC(=O)CC1Cl Amb24711398 [2,0,0,0,0,0|2,0,0]=4 653 B8R1.18 CC1=CC(=O)CC1O Amb24633748 [2,0,0,0,0,0|2,0,0]=4 654 B8R1.18 CC1=CC(=O)C[C@@H]1O Amb25093715 [2,0,0,0,0,0|2,0,0]=4 655 B8R1.18 CC1=CC(=O)C[C@H]1O Amb24612700 [2,0,0,0,0,0|2,0,0]=4 656 B8R1.18 CC1=CC(=O)NN1C Amb19149104 [2,0,0,0,0,0|2,0,0]=4 657 B8R1.18 CC1=CC(=O)OC1Br Amb25144076 [2,0,0,0,0,0|1,0,0]=3 658 B8R1.18 CC1=CC(=O)OC1Cl Amb24601836 [2,0,0,0,0,0|1,0,0]=3 659 B8R1.18 CC1=CC(=O)O[C@@H]1O Amb25185238 [2,0,0,0,0,0|1,0,0]=3 660 B8R1.18 CC1=CC(Br)OC1=O Amb22231983 [2,0,0,0,0,0|2,0,0]=4 661 B8R1.18 CC1=CC(C)CC1=O Amb25187953 [2,0,0,0,0,0|2,0,0]=4 662 B8R1.18 CC1=CC(Cl)OC1=O Amb25662203 [2,0,0,0,0,0|2,0,0]=4 663 B8R1.18 CC1=CC(O)OC1=O Amb24589666 [2,0,0,0,0,0|2,0,0]=4 664 B8R1.18 CC1=C[C@@H](C)CC1=O Amb24725285 [2,0,0,0,0,0|2,0,0]=4 665 B8R1.18 CC1=C[C@H](C)NC1=O Amb24481364 [2,0,0,0,0,0|2,0,0]=4 666 B8R1.18 CC1C=C(O)C(=O)O1 Amb24332982 [2,0,0,0,0,0|0,0,0]=2 667 B8R1.18 CC1CC(=O)C(=O)O1 Amb24524552 [2,0,0,0,0,0|0,0,2]=4 668 B8R1.18 CC1CC(=O)C(Br)=C1 Amb24723854 [2,0,0,0,0,0|2,0,0]=4 669 B8R1.18 CC1CC(=O)C(O)=C1 Amb25370657 [2,0,0,0,0,0|1,0,0]=3 670 B8R1.18 CC1OC(=O)NC1=O Amb24357861 [2,0,0,0,0,0|2,0,0]=4 671 B8R1.18 CC1OC(=O)NC1C Amb25747248 [2,0,0,0,0,0|1,0,1]=4 672 B8R1.18 CC1OC(O)=CC1=O Amb24398067 [2,0,0,0,0,0|1,0,1]=4 673 B8R1.18 CC=1OC(=O)NC1C Amb19516947 [2,0,0,0,0,0|1,0,1]=4 674 B8R1.18 CC=1OC(=O)OC1C Amb19654027 [2,0,0,0,0,0|1,0,1]=4 675 B8R1.18 C[C@@H]1CC(=O)C(Cl)=C1 Amb25821459 [2,0,0,0,0,0|2,0,0]=4 676 B8R1.18 C[C@@H]1C[C@@H](O)C(=O)O1 Amb24615353 [2,0,0,0,0,0|0,0,2]=4 677 B8R1.18 C[C@@H]1C[C@H](O)C(=O)O1 Amb24519690 [2,0,0,0,0,0|0,0,2]=4 678 B8R1.18 C[C@@H]1OC(=O)C=C1O Amb25087875 [2,0,0,0,0,0|1,0,0]=3 679 B8R1.18 C[C@@H]1OC(=O)C[C@H]1C Amb24583426 [2,0,0,0,0,0|0,0,2]=4 680 B8R1.18 C[C@@H]1OC(=O)N[C@@H]1C Amb24601098 [2,0,0,0,0,0|1,0,1]=4 681 B8R1.18 C[C@@H]1OC(=O)N[C@H]1C Amb24516825 [2,0,0,0,0,0|1,0,1]=4 682 B8R1.18 C[C@H]1C=C(Cl)C(=O)N1 Amb25062583 [2,0,0,0,0,0|2,0,0]=4 683 B8R1.18 C[C@H]1C=C(F)C(=O)N1 Amb25113895 [2,0,0,0,0,0|2,0,0]=4 684 B8R1.18 C[C@H]1OC(=O)C[C@@H]1C Amb25245321 [2,0,0,0,0,0|0,0,2]=4 685 B8R1.18 Cc1cc([n+](o1)C)C Amb10552697 [2,0,0,0,0,0|2,0,0]=4 686 B8R1.18 Cc1oc(Cl)cc1C Amb24437563 [2,0,0,0,0,0|1,0,1]=4 687 B8R1.18 Cc1oc(c(c1)C)C Amb10606773 [2,0,0,0,0,0|1,0,1]=4 688 B8R1.18 O=C1C=C(C(C1)C)C Amb16191977 [2,0,0,0,0,0|1,0,0]=3 689 B8R1.18 OC1=CC(O)CC1=O Amb24736347 [2,0,0,0,0,0|2,0,0]=4 690 B8R1.18 OC1=CC(O)OC1=O Amb25144696 [2,0,0,0,0,0|1,0,0]=3 691 B8R1.18 OC1C=C(Br)C(=O)O1 Amb24464564 [2,0,0,0,0,0|2,0,0]=4 692 B8R1.18 OC1OC(=O)C=C1Br Amb22490504 [2,0,0,0,0,0|2,0,0]=4 693 B8R1.50 BrC1=C(Br)C(=O)OC1 Amb10067289 [2,0,0,0,0,0|2,0,0]=4 694 B8R1.50 BrC1=C(C)CCC1=O Amb10067495 [2,0,0,0,0,0|2,0,0]=4 695 B8R1.50 CC1=COC(C)C1=O Amb25130613 [2,0,0,0,0,0|2,0,0]=4 696 B8R1.50 CC1C(C)SC=C1O Amb22167478 [2,0,0,0,0,0|0,1,1]=4 697 B8R1.50 CC1OC=C(O)C1=O Amb25128250 [2,0,0,0,0,0|1,0,0]=3 698 B8R1.50 CC=1C(=O)OCC1C Amb25859061 [2,0,0,0,0,0|1,0,0]=3 699 B8R1.50 CC=1C(=O)ONC1C Amb22490660 [2,0,0,0,0,0|2,0,0]=4 700 B8R1.50 CC=1CCC(=O)C1C Amb22351730 [2,0,0,0,0,0|2,0,0]=4 701 B8R1.50 CC=1COC(=O)C1N Amb25025754 [2,0,0,0,0,0|1,0,0]=3 702 B8R1.50 CC=1COC(=O)C1O Amb23571854 [2,0,0,0,0,0|0,0,0]=2 703 B8R1.50 CC=1CSC(=O)C1N Amb25324275 [2,0,0,0,0,0|1,1,0]=4 704 B8R1.50 CC=1CSC(=O)C1O Amb24638526 [2,0,0,0,0,0|0,1,0]=3 705 B8R1.50 C[C@H]1COC(=O)[C@@H]1O Amb25320667 [2,0,0,0,0,0|0,0,2]=4 706 B8R1.50 Cc1o[n]c(C)c1O Amb25353521 [2,0,0,0,0,0|2,0,0]=4 707 B8R1.50 NC=1C(=O)OCC1Br Amb24553799 [2,0,0,0,0,0|2,0,0]=4 708 B8R1.50 NC=1C(=O)OCC1Cl Amb25378846 [2,0,0,0,0,0|2,0,0]=4 709 B8R1.50 O=C1C(=O)COC1=O Amb24364125 [2,0,0,0,0,0|1,0,1]=4 710 B8R1.50 O=C1OCC(Cl)=C1Cl Amb24551013 [2,0,0,0,0,0|2,0,0]=4 711 B8R1.50 OC1=C(O)CCC1=O Amb17593179 [2,0,0,0,0,0|2,0,0]=4 712 B8R1.50 OC1C(=O)COC1=O Amb25143349 [2,0,0,0,0,0|1,0,1]=4 713 B8R1.50 OC=1C(=O)CCC1Br Amb24677469 [2,0,0,0,0,0|2,0,0]=4 714 B8R1.50 OC=1C(=O)OCC1O Amb23505710 [2,0,0,0,0,0|1,0,0]=3 715 B8R1.50 OC=1COC(=O)C1Cl Amb22360617 [2,0,0,0,0,0|2,0,0]=4 716 B8R1.50 Oc1noc(c1C)C Amb10552497 [2,0,0,0,0,0|1,0,1]=4 717 B10R0.13 CC(C)CC(C)C(=O)C(O)=O Amb18645040 [0,1,1,0,0,0|0,0,2]=4 718 B10R0.13 CC(C)C\C(\F)=C(/F)\C(O)=O Amb25786670 [0,1,1,0,0,0|2,0,0]=4 719 B10R0.13 CC(N)CC(Cl)=C(Cl)C(O)=O Amb25210695 [0,1,1,0,0,0|2,0,0]=4 720 B10R0.13 CC(O)CN(C)C(=O)C(O)=O Amb18988698 [0,1,1,0,0,0|1,0,1]=4 721 B10R0.13 C[C@H](O)CN(C)C(=O)C(O)=O Amb24751139 [0,1,1,0,0,0|1,0,1]=4 722 B10R0.25 CC(C(O)=O)=C(CCC)CC Amb24767352 [0,1,1,0,0,0|1,0,0]=3 723 B10R0.25 CC(C(O)=O)=C(COC)CC Amb24761779 [0,1,1,0,0,0|2,0,0]=4 724 B10R0.25 CCCC(CC)=C(F)C(O)=O Amb24767353 [0,1,1,0,0,0|1,0,0]=3 725 B10R0.56 CC(C(C)CC)=C(F)C(C)=O Amb24533367 [0,1,1,0,0,0|2,0,0]=4 726 B10R0.56 CC(C(C)CC)=C(F)C(O)=O Amb25205490 [0,1,1,0,0,0|1,0,0]=3 727 B10R0.56 CCC(C)C(C)=C(C)C(C)=O Amb24690393 [0,1,1,0,0,0|2,0,0]=4 728 B10R0.56 CCC(C)\C(\C)=C(/C)\C(C)=O Amb24486361 [0,1,1,0,0,0|2,0,0]=4 729 B10R0.56 CCS(=O)C(C)=C(C)C(O)=O Amb24627057 [0,1,1,0,0,0|2,0,0]=4 730 B10R0.56 COC(C)C(C)=C(C)C(O)=O Amb25075025 [0,1,1,0,0,0|2,0,0]=4 731 B10R0.81 CC(CCOC)=C(C)C(O)=O Amb24761778 [0,1,1,0,0,0|1,0,0]=3 732 B10R0.81 CC(CCOC)=C(F)C(O)=O Amb24761780 [0,1,1,0,0,0|1,0,0]=3 733 B10R0.81 CCCCC(C)=C(C)C(C)=O Amb24766995 [0,1,1,0,0,0|2,0,0]=4 734 B10R0.81 CCCC\C(\C)=C(/C)\C(C)=O Amb24766897 [0,1,1,0,0,0|2,0,0]=4 735 B10R0.81 CCCC\C(\C)=C(\C)/C(C)=O Amb24766895 [0,1,1,0,0,0|2,0,0]=4 736 B10R0.81 C\C(=C\CCC)\C(C)C(O)=O Amb25385167 [0,1,1,0,0,0|1,0,1]=4 737 B10R0.101 CC(COC)=C(C#N)C(O)=O Amb25841069 [0,1,1,0,0,0|2,0,0]=4 738 B10R0.101 CC(OCC)=C(C#N)C(O)=O Amb24271144 [0,1,1,0,0,0|2,0,0]=4 739 B10R0.101 CCCC(C)\C(=C/C)\C(O)=O Amb25385203 [0,1,1,0,0,0|1,0,1]=4 740 B10R0.101 C\C(\CCC)=C(\C#N)/C(O)=O Amb24634254 [0,1,1,0,0,0|1,0,0]=3 741 B10R0.101 C\C(\CCC)=C(\CC)/C(O)=O Amb25381499 [0,1,1,0,0,0|1,0,0]=3 742 B10R0.101 C\C(\SCC)=C(/CC)\C(O)=O Amb25382140 [0,1,1,0,0,0|2,0,0]=4 743 B10R0.104 CCCC(C)(C)C(O)C(O)=O Amb25385207 [0,1,1,0,0,0|0,0,2]=4 744 B10R0.104 CCCC(C)(O)C(O)C(O)=O Amb25386048 [0,1,1,0,0,0|0,0,2]=4 745 B10R0.21 CCCNC(=O)C(=NO)SC Amb25385783 [0,1,1,0,0,0|2,0,0]=4 746 B10R0.21 CCCOC(=O)C(C#N)=NO Amb25384087 [0,1,1,0,0,0|1,0,1]=4 747 B10R0.21 CCCOC(=O)\C(=C\N)\C#N Amb24764902 [0,1,1,0,0,0|2,0,0]=4 748 B10R0.46 CC(=CC)C(=O)OC(C)CC Amb24755913 [0,1,1,0,0,0|1,0,0]=3 749 B10R0.46 C\C(=C/C)\C(=O)OC(C)CC Amb22338310 [0,1,1,0,0,0|1,0,0]=3 750 B10R0.57 C\C(=C/C)\C(=O)OCC(C)C Amb24764651 [0,1,1,0,0,0|1,0,0]=3 751 B10R0.57 C\C(=C\C)\C(=O)NCC(C)N Amb24676277 [0,1,1,0,0,0|2,0,0]=4 752 B10R0.57 C\C(=C\C)\C(=O)NCC(C)O Amb25130196 [0,1,1,0,0,0|2,0,0]=4 753 B10R0.57 C\C(=C\C)\C(=O)OCC(C)C Amb22351313 [0,1,1,0,0,0|1,0,0]=3 754 B10R0.83 CC(=CC)C(=O)NCCNC Amb24751160 [0,1,1,0,0,0|2,0,0]=4 755 B10R0.83 CCCCOC(=O)[C@@H](O)CC Amb22744893 [0,1,1,0,0,0|0,0,2]=4 756 B10R0.83 CCCCOC(=O)[C@H](O)CC Amb24074092 [0,1,1,0,0,0|0,0,2]=4 757 B10R0.83 C\C(=C/C)\C(=O)OCCCC Amb22230358 [0,1,1,0,0,0|1,0,0]=3 758 B10R0.83 C\C(=C\C)\C(=O)NCCCC Amb24766541 [0,1,1,0,0,0|2,0,0]=4 759 B10R0.83 C\C(=C\C)\C(=O)NCCCN Amb25384353 [0,1,1,0,0,0|2,0,0]=4 760 B10R0.83 C\C(=C\C)\C(=O)OCC#CC Amb25345799 [0,1,1,0,0,0|1,0,1]=4 761 B10R0.83 C\C=C(/N)\C(=O)OCCC#N Amb25385082 [0,1,1,0,0,0|1,0,1]=4 762 B10R1.32 CCC=1NC(=O)OC1CC Amb25783770 [1,1,0,0,0,0|1,0,1]=4 763 B10R1.32 CCC=1OC(=O)OC1CO Amb25769291 [1,1,0,0,0,0|1,0,1]=4 764 B10R1.32 CC[C@H]1NC(=O)O[C@H]1CC Amb24725616 [1,1,0,0,0,0|1,0,1]=4 765 B10R1.32 CCc1oc(N)cc1SC Amb18669952 [1,1,0,0,0,0|1,0,1]=4 766 B10R1.32 COC1=CC(=O)OC1CO Amb19746822 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.32 COC1CC(=O)C=C1OC Amb25146556 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.32 COC1OC(=O)C=C1C=O Amb24417777 [1,1,0,0,0,0|1,0,1]=4 769 B10R1.32 CO[C@H]1CC(=O)C=C1OC Amb25168705 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.33 CCC1OS(=O)(=O)C=C1N Amb24601793 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.35 Cc1cc(C=O)[n][n]1CC Amb23568554 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.35 Cc1cc(C=O)[s]c1CC Amb18143558 [1,1,0,0,0,0|0,1,1]=4 773 B10R1.35 Cc1cc(C=O)oc1CC Amb18832234 [1,1,0,0,0,0|0,0,1]=3 774 B10R1.35 O=Cc1cn(c(c1)C)CC Amb10788626 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.59 CC(C)C1OC(=O)NC1=O Amb24346671 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.59 CC(C)C1OC(N)=CC1=O Amb23585284 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.59 CC1=CC(=O)CC1C(C)C Amb25322916 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.59 CC1=CC(=O)C[C@@H]1C(C)C Amb24676907 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.59 CC1=CC(=O)O[C@H]1[C@H](C)O Amb24757645 [1,1,0,0,0,0|0,0,0]=2 780 B10R1.59 C[C@@H]1CC(=O)O[C@H]1[C@H](C)Br Amb25239352 [1,1,0,0,0,0|0,0,2]=4 781 B10R1.59 C[C@H]1CC(=O)O[C@H]1[C@H](C)O Amb25296426 [1,1,0,0,0,0|0,0,2]=4 782 B10R1.59 Cc1cc(C)oc1C(C)O Amb25283765 [1,1,0,0,0,0|1,0,1]=4 783 B10R1.130 CC1=CC(=O)NC1OCC Amb25340399 [1,1,0,0,0,0|1,0,0]=3 784 B10R1.130 CC1CC(=O)OC1CCO Amb25262901 [1,1,0,0,0,0|0,0,2]=4 785 B10R1.130 CC1CC(=O)OC1OCC Amb25174275 [1,1,0,0,0,0|0,0,2]=4 786 B10R1.130 CC1NC(=O)OC1CCC Amb25715759 [1,1,0,0,0,0|1,0,1]=4 787 B10R1.130 CC=1NC(=O)OC1CCN Amb18202631 [1,1,0,0,0,0|1,0,1]=4 788 B10R1.130 CCCC1OC(=O)CC1=O Amb25830567 [1,1,0,0,0,0|1,0,1]=4 789 B10R1.130 CCCC1OC(=O)N=C1N Amb24520845 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.130 CCCC1OC(=O)NC1=O Amb24468295 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.130 CCOC1OC(=O)C=C1Br Amb19958367 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.130 CCOC1OC(=O)C=C1N Amb24761400 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.130 COCC1OC(=O)NC1=O Amb25042950 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.130 C[C@@H]1CC(=O)O[C@H]1CCO Amb25215719 [1,1,0,0,0,0|0,0,2]=4 795 B10R1.130 C[C@H]1NC(=O)O[C@H]1CCC Amb25174900 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.130 NCCC1OC(=O)C=C1O Amb24349478 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.130 O=C1CC(=O)OC1CCBr Amb24670075 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.130 OC1=CC(=O)NC1CCO Amb24478936 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.130 OC1=CC(=O)OC1CCO Amb25306503 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.256 CC1=CC(=O)C(C)C1CO Amb25318914 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.256 CC1=CC(=O)[C@@H](O)[C@@H]1OC Amb24540271 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.256 CC1C(CC)C(O)=CC1=O Amb25116599 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.475 CC1(CC)OC(=O)C=C1N Amb24451055 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.475 CC1(CC)OC(=O)OC1=C Amb1048132 [1,1,0,0,0,0|1,0,1]=4 805 B10R1.475 CC1(CC)OC(N)=CC1=O Amb24061540 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.475 CC1=CC(=O)C(C)(CC)O1 Amb25718395 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.475 CC1=CC(=O)NC1(O)CC Amb24453868 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.475 CCC1(C)OC(=O)NC1=O Amb23515142 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.475 CCC1(O)CC(=O)C=C1Cl Amb24466931 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.475 CC[C@]1(C)OC(=O)NC1=O Amb25804647 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.475 OC1(CCl)OC(=O)C=C1Cl Amb25774501 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.58 CC(C)C1CC(=O)C(=O)O1 Amb25146630 [1,1,0,0,0,0|0,0,2]=4 813 B10R1.58 CC(C)C1CC(=O)C(Cl)=C1 Amb24584550 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.58 CC(C)C1CC(=O)C(O)=C1 Amb25066374 [1,1,0,0,0,0|1,0,0]=3 815 B10R1.58 CC(C)[C@H]1CC(=O)C(Cl)=C1 Amb25735114 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.58 CC(O)C1CC(O)C(=O)O1 Amb25761049 [1,1,0,0,0,0|0,0,2]=4 817 B10R1.58 CC1=CC(NC1=O)C(C)C Amb25194687 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.58 CC1=C[C@H](OC1=O)[C@@H](C)Br Amb24519817 [1,1,0,0,0,0|1,0,0]=3 819 B10R1.58 C[C@@H](O)[C@@H]1C[C@H](O)C(=O)O1 Amb24515478 [1,1,0,0,0,0|0,0,2]=4 820 B10R1.58 C[C@H](O)[C@@H]1CC(=C)C(=O)O1 Amb25215763 [1,1,0,0,0,0|1,0,1]=4 821 B10R1.58 C[C@H](O)[C@H]1CC(O)C(=O)O1 Amb24592500 [1,1,0,0,0,0|0,0,2]=4 822 B10R1.58 C[C@H](O)[C@H]1C[C@@H](O)C(=O)O1 Amb25256354 [1,1,0,0,0,0|0,0,2]=4 823 B10R1.131 C=C1CC(CCBr)OC1=O Amb24477347 [1,1,0,0,0,0|1,0,1]=4 824 B10R1.131 CC1=CC(NC1=O)OCC Amb25367928 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.131 CCCC1CC(O)C(=O)O1 Amb25306351 [1,1,0,0,0,0|0,0,2]=4 826 B10R1.131 CCCC1OC(=O)C(=O)C1 Amb17593586 [1,1,0,0,0,0|0,0,2]=4 827 B10R1.244 CC1(CC)C=C(N)C(=O)O1 Amb25104772 [1,1,0,0,0,0|1,0,0]=3 828 B10R1.244 CC1=CC(C)(CO)OC1=O Amb25306331 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.244 CC1=CC(O)(CCl)OC1=O Amb25113915 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.244 CC1=C[C@](C)(CO)OC1=O Amb24352942 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.191 CC1=C(C)C(=O)C(C1C)C Amb10070612 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.191 CC1C(Cl)C(=O)C(C)=C1C Amb24480596 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.191 CC=1C(C)C(=C)C(=O)C1O Amb24357312 [1,1,0,0,0,0|1,0,0]=3 834 B10R1.191 CC=1C(C)C(C)C(=O)C1O Amb25094415 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.191 CC=1[C@@H](C)[C@H](C)C(=O)C1C Amb22232302 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.191 CC=1[C@H](C)C(=C)C(=O)C1O Amb25320197 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.191 C[C@H]1[C@H](O)C(=O)C(C)=C1C Amb24602958 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.271 CC1(C)OC(=O)C(=C)C1C Amb25766643 [1,1,0,0,0,0|1,0,1]=4 839 B10R1.271 CC1(C)OC(=O)C(F)=C1F Amb25299245 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.271 CC1=C(C)C(=O)NC1(C)O Amb25324182 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.271 CC1=C(C)C(=O)OC1(C)O Amb21926614 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.271 CC=1C(=O)OC(C)(C)C1N Amb25327073 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.271 O=C1CC(C(=C1C)C)(C)C Amb16191933 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.194 Cc1c(O)[n]oc1C(C)N Amb24624672 [1,1,0,0,0,0|1,0,1]=4 845 B10R1.236 CCC1(C)CC=C(O)C1=O Amb24504938 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.236 CC[C@@]1(O)CC=C(O)C1=O Amb25146851 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.257 CCc1occ(N)c1SC Amb18678759 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.258 Cc1c(CC)o[n]c1OC Amb25859146 [1,1,0,0,0,0|1,0,1]=4 849 B10R1.258 Cc1c(CO)[n]oc1CC Amb20196518 [1,1,0,0,0,0|1,0,1]=4 850 B10R1.258 OCc1cnn(c1C)CC Amb1914078 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.264 CC=1C(=O)C(=O)C1OCC Amb25146575 [0,1,0,0,1,0|0,0,2]=4 852 B12R1.14 CC1C(O)C(C)C(CC)OC1=O Amb24698703 [0,1,0,0,0,1|0,0,2]=4 853 B12R1.14 CC1C(O)[C@@H](C)[C@@H](CC)OC1=O Amb24675635 [0,1,0,0,0,1|0,0,2]=4 854 B12R1.14 CC=1C(=O)C(C)C(=O)OC1CC Amb24706802 [0,1,0,0,0,1|0,0,2]=4 855 B12R1.14 C[C@@H]1[C@@H](O)[C@@H](C)[C@@H](CC)OC1=O Amb24752283 [0,1,0,0,0,1|0,0,2]=4 856 B12R1.14 C[C@@H]1[C@H](O)[C@@H](C)[C@H](CC)OC1=O Amb25284291 [0,1,0,0,0,1|0,0,2]=4 857 B12R1.14 C[C@@H]1[C@H](O)[C@H](C)[C@@H](CC)OC1=O Amb25175363 [0,1,0,0,0,1|0,0,2]=4 858 B12R1.14 OCC1OC(=O)C(=O)C(O)=C1O Amb24531582 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.40 CC1C(O)CC(=O)OC1CCC Amb24493509 [0,1,0,0,0,1|0,0,2]=4 860 B12R1.40 C[C@H]1[C@H](O)CC(=O)O[C@@H]1CCC Amb25271899 [0,1,0,0,0,1|0,0,2]=4 861 B12R1.237 CCC1OC(=O)CC(O)C1(C)C Amb25739713 [0,1,0,0,0,1|0,0,2]=4 862 B12R1.511 CC(C)C1OC(=O)CC(=O)C1C Amb24707075 [0,1,0,0,0,1|0,0,2]=4 863 B12R1.44 C[C@@H]1C[C@@H](OC(=O)[C@H]1O)OCC Amb25266784 [0,1,0,0,0,1|0,0,2]=4 864 B12R1.1005 CC(=O)[C@H]1CC(C)=C(C)C(=O)O1 Amb25735162 [0,1,0,0,0,1|1,0,1]=4 865 B12R1.1005 CC(C)C1CC(=O)C(C)=C(C)C1 Amb25667398 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.1005 CC(C)[C@@H]1CC(=O)C(C)=C(C)C1 Amb24537757 [0,1,0,0,0,1|2,0,0]=4 867 B12R1.1005 CC(C)[C@H]1CC(=O)C(C)=C(C)C1 Amb25299315 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.3850 CCC1(C)CC(=O)C(C)=C(C)O1 Amb24582548 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.2432 CCC1(C)OC(=O)C(=O)NC1=O Amb24666502 [0,1,0,0,0,1|1,0,1]=4 870 B12R1.544 CC1=C(O)C(=O)C=CN1CCC Amb18545530 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.544 CC1=C(O)C(=O)C=CN1CCN Amb18908731 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.544 CC1=C(O)C(=O)C=CN1CCO Amb18043716 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.652 CCN1C=CC(=O)C(O)=C1CC Amb18043728 [0,1,0,0,0,1|2,0,0]=4 874 B12R1.893 CC(C)C1CCC(=O)C(C)=C1C Amb25667397 [0,1,0,0,0,1|2,0,0]=4 875 B12R1.893 CC(C)C1CCC(=O)C(O)=C1O Amb24425447 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.893 CC1=C(O)C(=O)C=CN1C(C)C Amb18043725 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.362 CC(CO)C1OC(=C)C(O)=C1[O-] Amb25686176 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.362 CC(CO)C1OC(=O)C(O)=C1O Amb24592158 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.362 CC=1C(=O)OC(C(O)CO)C1O Amb25079250 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.362 CC=1C(=O)O[C@H]([C@@H](O)CO)C1C Amb25306633 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.362 CC=1C(=O)O[C@H]([C@@H](O)CO)C1O Amb25218236 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.362 CC=1C(OC(=O)C1O)C(O)CO Amb25669779 [0,2,0,0,0,0|0,0,0]=2 883 B12R1.362 CC=1OC(C(C)CC)C(=O)C1O Amb25773463 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.362 CCC(O)C1OC(=O)C(O)=C1O Amb24718463 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.362 CC[C@H](O)[C@H]1OC(=O)C(O)=C1O Amb24520409 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.362 NCC(O)C1OC(=O)C(O)=C1O Amb25695447 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.362 NC[C@@H](O)[C@H]1OC(=O)C(O)=C1O Amb24598204 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.362 OC(C=O)C1OC(=O)C(O)=C1O Amb24383054 [0,2,0,0,0,0|1,0,1]=4 889 B12R1.362 OC(CCl)C1OC(=O)C(O)=C1O Amb25288400 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.362 OC(CO)C1OC(=O)[C-](O)C1=O Amb24540836 [0,2,0,0,0,0|1,0,1]=4 891 B12R1.362 OC(CO)[C@@H]1OC(=O)C(O)=C1O Amb19130578 [0,2,0,0,0,0|1,0,0]=3 892 B12R1.362 OC(CO)[C@H]1OC(O)=C(O)C1=O Amb25847069 [0,2,0,0,0,0|1,0,1]=4 893 B12R1.362 OC=1[C@H](OC(=O)C1Cl)[C@@H](O)CO Amb25206746 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.362 OC=1[C@H](OC(=O)C1F)[C@@H](O)CO Amb24515540 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.362 OC[C@@H](C1OC(=O)C(=O)C1=O)O Amb16226909 [0,2,0,0,0,0|1,0,1]=4 896 B12R1.362 O[13CH]([13CH2]O)[13C@@H]1O[13C](=O)[13C](O)=[13C]1O Amb19130579 [0,2,0,0,0,0|1,0,0]=3 897 B12R1.362 O[C@@H](C=O)[C@H]1OC(=O)C(O)=C1O Amb24574075 [0,2,0,0,0,0|1,0,1]=4 898 B12R1.362 O[C@@H](CCl)[C@H]1OC(=O)C(=O)C1=O Amb25279355 [0,2,0,0,0,0|1,0,1]=4 899 B12R1.362 O[C@@H](CCl)[C@H]1OC(=O)C(O)=C1O Amb24740783 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.362 O[C@@H](CO)[C@@H]1OC(=O)C(O)=C1O Amb17933822 [0,2,0,0,0,0|1,0,0]=3 901 B12R1.362 O[C@@H](CO)[C@H]1OC(=O)C(O)=C1O Amb22800084 [0,2,0,0,0,0|1,0,0]=3 902 B12R1.362 O[C@@H](CO)[C@H]1O[13C](=O)C(O)=C1O Amb22338898 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.362 O[C@H](CO)C1OC(=O)C(=O)C1=O Amb24686491 [0,2,0,0,0,0|1,0,1]=4 904 B12R1.362 O[C@H](CO)[C@@H]1OC(=O)C(=O)C1=O Amb24621311 [0,2,0,0,0,0|1,0,1]=4 905 B12R1.362 [O-]C=1C(=O)O[C@@H]([C@H](O)CO)C1O Amb22799727 [0,2,0,0,0,0|1,0,1]=4 906 B12R1.362 [O-]C=1C(=O)O[C@@H]([C@H](O)CO)C1O Amb22801075 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.362 [O-]C=1C(OC(=O)C1O)C(O)CO Amb22051639 [0,2,0,0,0,0|1,0,0]=3 908 B12R1.362 [O-]C=1C(OC(=O)C1O)C(O)CO Amb22330604 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.362 [O-]C=1[C@@H](OC(=O)C1O)C(O)CO Amb24495567 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.362 [O-]C=1[C@@H](OC(=O)C1O)[C@H](O)CO Amb22748270 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.379 CC=1[C@@H](CCCO)OC(=O)C1O Amb25098583 [0,2,0,0,0,0|0,0,0]=2 912 B12R1.379 CC=1[C@H](CCCO)OC(=O)C1O Amb25680644 [0,2,0,0,0,0|0,0,0]=2 913 B12R1.379 OCCNC1OC(=O)C(Cl)=C1Cl Amb25110094 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.1145 COC=1C(=CCO)OC(=O)C1O Amb25045785 [0,2,0,0,0,0|0,0,2]=4 915 B12R1.1145 COCC1OC(=O)C(O)C1OC Amb25344843 [0,2,0,0,0,0|0,0,2]=4 916 B12R1.1145 COC[C@H]1OC(=O)[C@H](O)[C@H]1OC Amb25237596 [0,2,0,0,0,0|0,0,2]=4 917 B12R1.1276 CC(=O)OC1OC(=O)C(C)=C1C Amb25350318 [0,2,0,0,0,0|1,0,1]=4 918 B12R1.1276 CC(=O)O[C@H]1OC(=O)C(C)=C1C Amb25798394 [0,2,0,0,0,0|1,0,1]=4 919 B12R1.1276 CC=1C(=O)CC(CC(C)=C)C1C Amb24723887 [0,2,0,0,0,0|2,0,0]=4 920 B12R1.1276 CC=1C(CC(O)=O)OC(=O)C1Cl Amb25667164 [0,2,0,0,0,0|1,0,1]=4 921 B12R1.2518 CC=1C(=O)OC(C)(OC)C1CO Amb24355085 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.2518 CC=1C(=O)O[C@@](C)(CO)C1OC Amb24524992 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.2518 CC=1C(=O)O[C@](C)(CO)C1OC Amb25796406 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.3839 CCC1(C)C(C)C(=O)C(C)=C1C Amb25039200 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.3839 CC[C@@]1(C)[C@@H](C)C(=O)C(C)=C1C Amb24584463 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.796 CC=1C(=O)C(C)C(CC)C1CC Amb25773325 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.2889 CC(C)C1C(C)C(=O)C(C)=C1C Amb25143388 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.2889 CC(C)C1C(O)C(=O)C(C)=C1C Amb25093808 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.766 CC(O)C1OC(=O)C(O)C1OC Amb24576886 [0,2,0,0,0,0|0,0,2]=4 930 B12R1.766 C[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@H]1OC Amb24539313 [0,2,0,0,0,0|0,0,2]=4 931 B12R1.766 C[C@H](O)[C@@H]1OC(=O)[C@H](O)[C@@H]1OC Amb24520162 [0,2,0,0,0,0|0,0,2]=4 932 B12R1.1978 Cc1c(O)c([n][n]1CC)C(C)=O Amb22498878 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.595 COC=1C(NC(=O)C1OC)OC Amb25373992 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.1979 CC(O)=C1C(=O)N[C@@H](CC)C1=O Amb24453879 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.1979 CC1=C(C(O)=O)C(=O)ON1CC Amb18563014 [0,2,0,0,0,0|1,0,0]=3 936 B12R1.1979 C\C(\O)=C\1/C(=O)N[C@@H](CC)C1=O Amb24466969 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.1979 Cc1c(c(N)oc1CC)C(O)=O Amb25674845 [0,2,0,0,0,0|1,0,1]=4 938 B10R1.23 C=C(C1CCCC1)C(O)=O Amb18124595 [0,0,1,1,0,0|1,0,1]=4 939 B10R1.23 CC(C(O)=O)=C1CCCC1 Amb18643539 [0,0,1,1,0,0|1,0,0]=3 940 B10R1.23 OC(=O)C(=O)C1CCCC1 Amb18643845 [0,0,1,1,0,0|0,0,2]=4 941 B10R1.23 OC(=O)C(F)=C1CCCC1 Amb20667820 [0,0,1,1,0,0|1,0,0]=3 942 B10R1.23 OC(=O)C(O)C=1CCCC1 Amb25777821 [0,0,1,1,0,0|0,0,2]=4 943 B10R1.23 OC(=O)C(S)=C1CCCC1 Amb22549523 [0,0,1,1,0,0|0,1,0]=3 944 B10R1.23 OC(C1CCCC1)C(O)=O Amb18958313 [0,0,1,1,0,0|0,0,2]=4 945 B10R1.61 CC(=O)C=1OCCCC1Cl Amb25713702 [0,0,1,1,0,0|2,0,0]=4 946 B10R1.61 CC1CCCC=C1C(O)=O Amb22407010 [0,0,1,1,0,0|1,0,1]=4 947 B10R1.61 CC=1CCCCC1C(C)=O Amb25288428 [0,0,1,1,0,0|2,0,0]=4 948 B10R1.61 CC=1CCCCC1C(N)=O Amb24427374 [0,0,1,1,0,0|2,0,0]=4 949 B10R1.61 CC=1CCCCC1C(O)=O Amb18643592 [0,0,1,1,0,0|1,0,0]=3 950 B10R1.61 CC=1SCCSC1C(O)=O Amb18647984 [0,0,1,1,0,0|1,1,0]=4 951 B10R1.61 CN1CCCC=C1C(O)=O Amb23585359 [0,0,1,1,0,0|2,0,0]=4 952 B10R1.61 ClC1=C(CCCC1)C(=O)O Amb1157859 [0,0,1,1,0,0|2,0,0]=4 953 B10R1.61 N=C1CCCC=C1C(O)=O Amb25777703 [0,0,1,1,0,0|2,0,0]=4 954 B10R1.61 NC(=O)C=1OCCCC1Cl Amb25760160 [0,0,1,1,0,0|2,0,0]=4 955 B10R1.61 NC=1CCCCC1C(O)=O Amb22228577 [0,0,1,1,0,0|2,0,0]=4 956 B10R1.61 OC(=O)C1=C(C)OCCO1 Amb10607351 [0,0,1,1,0,0|1,0,0]=3 957 B10R1.61 OC(=O)C=1CCCCC1Br Amb18130945 [0,0,1,1,0,0|2,0,0]=4 958 B10R1.81 CC1CC(C1)=C(F)C(O)=O Amb24423088 [0,0,1,1,0,0|1,0,0]=3 959 B10R1.86 COCC=1CCC1C(O)=O Amb25331314 [0,0,1,1,0,0|2,0,0]=4 960 B10R1.155 CCC1CC1=C(Cl)C(O)=O Amb25176099 [0,0,1,1,0,0|1,0,0]=3 961 B10R1.278 CC(C(O)=O)=C(Cl)C1CC1 Amb24725095 [0,0,1,1,0,0|2,0,0]=4 962 B10R1.278 CC(C1CC1)=C(F)C(O)=O Amb25077125 [0,0,1,1,0,0|1,0,0]=3 963 B10R1.291 CC1=CCCC1(O)C(O)=O Amb24585235 [0,0,1,1,0,0|0,0,2]=4 964 B10R1.291 CC1CCCC1(O)C(O)=O Amb24505300 [0,0,1,1,0,0|0,0,2]=4 965 B10R1.291 CN1CCCC1(O)C(O)=O Amb24746682 [0,0,1,1,0,0|1,0,1]=4 966 B10R1.393 CCCC1(C)OC1C(O)=O Amb25320260 [0,0,1,1,0,0|0,0,2]=4 967 B10R1.7 O=C1NCCCCC=C1Cl Amb24514275 [0,0,1,1,0,0|2,0,0]=4 968 B10R1.19 C\C=C/1\CCCCCC1=O Amb24698888 [0,0,1,1,0,0|2,0,0]=4 969 B10R1.19 C\C=C\1/CCCCCC1=O Amb25191501 [0,0,1,1,0,0|2,0,0]=4 970 B10R1.30 C\C=C/1\CC(C)CCC1=O Amb24523782 [0,0,1,1,0,0|2,0,0]=4 971 B10R1.119 CC1CCC(=O)C(C)=C1C Amb25028159 [0,0,1,1,0,0|2,0,0]=4 972 B10R1.119 CC=1C(C)CCC(=O)C1O Amb25320128 [0,0,1,1,0,0|1,0,0]=3 973 B10R1.178 CCCNC(=O)C=1CCC1 Amb24482592 [0,0,1,1,0,0|2,0,0]=4 974 B10R1.182 C\C(=C\C)\C(=O)N1CCC1 Amb25072072 [0,0,1,1,0,0|2,0,0]=4 975 B10R1.184 C\C(=C\C)\C(=O)OC1CC1 Amb25119673 [0,0,1,1,0,0|1,0,0]=3 976 B10R1.4 CC1=CCCCC1CC=O Amb25827559 [0,0,1,1,0,0|2,0,0]=4 977 B10R1.27 C=CC(=O)OC1CCCC1 Amb22230460 [0,0,1,1,0,0|1,0,1]=4 978 B10R1.27 C=CC(=O)OC1CCCO1 Amb25714473 [0,0,1,1,0,0|2,0,0]=4 979 B10R1.27 OCC(=O)OC1CCC=C1 Amb24683814 [0,0,1,1,0,0|0,0,2]=4 980 B10R1.27 OCC(=O)OC1CCCC1 Amb25848207 [0,0,1,1,0,0|0,0,2]=4 981 B10R2.2 Nc1cc2CCCc2o1 Amb18832955 [1,0,0,1,0,0|1,0,1]=4 982 B10R2.2 O=C1C=C2OCCC2N1 Amb24101450 [1,0,0,1,0,0|2,0,0]=4 983 B10R2.2 O=C1C=C2OCCC2O1 Amb24365263 [1,0,0,1,0,0|1,0,0]=3 984 B10R2.2 O=C1CC2=CCCC2O1 Amb24340229 [1,0,0,1,0,0|0,0,2]=4 985 B10R2.2 O=C1CC2=CCC[C@H]2O1 Amb24385267 [1,0,0,1,0,0|0,0,2]=4 986 B10R2.2 O=C1C[C@H]2CCCC2=C1 Amb25735712 [1,0,0,1,0,0|1,0,0]=3 987 B10R2.2 O=C1NC2CCCC2O1 Amb22230750 [1,0,0,1,0,0|1,0,1]=4 988 B10R2.2 O=C1N[C@@H]2CCC[C@@H]2O1 Amb25327052 [1,0,0,1,0,0|1,0,1]=4 989 B10R2.296 CC1OC(=O)C2OC12C Amb25829450 [1,0,0,1,0,0|0,0,2]=4 990 B10R2.32 Nc1coc2CCCc21 Amb18203340 [1,0,0,1,0,0|1,0,1]=4 991 B12R2.246 OC1=CC(=O)NC=2CCCC21 Amb19958471 [0,0,0,1,0,1|1,0,1]=4 992 B12R2.246 OC1=CC(=O)OC=2CCCC21 Amb25320680 [0,0,0,1,0,1|0,0,1]=3 993 B12R2.997 CC=1C2CCC(CC2=O)C1C Amb25373147 [0,0,0,1,0,1|2,0,0]=4 994 B12R2.100 Nc1cc2CCCc2oc1=O Amb24085828 [0,0,0,1,0,1|1,0,1]=4 995 B12R2.82 CC=1C(=O)CC[C@@H]2CCCC12 Amb25151491 [0,0,0,1,0,1|2,0,0]=4 996 B12R2.82 OC=1C(=O)CCN2CCCC21 Amb25240571 [0,0,0,1,0,1|2,0,0]=4 997 B12R2.2345 CC=1C2CCC(O2)C(C)C1O Amb24334792 [0,0,0,1,0,1|1,0,1]=4 998 B12R2.18 C=C1C2CCCCC2OC1=O Amb25151663 [0,1,0,1,0,0|1,0,1]=4 999 B12R2.18 CC=1C(=O)NC2CCCCC12 Amb24668153 [0,1,0,1,0,0|2,0,0]=4 1000 B12R2.18 CC=1C(=O)OC2=CCCCC21 Amb25152871 [0,1,0,1,0,0|1,0,1]=4 1001 B12R2.18 CC=1C(=O)OC2CCCCC12 Amb25793458 [0,1,0,1,0,0|1,0,0]=3 1002 B12R2.18 NC=1C(=O)OC2=CCCCC21 Amb24085816 [0,1,0,1,0,0|1,0,1]=4 1003 B12R2.18 O=C1C2CCCCC2OC1=O Amb25282769 [0,1,0,1,0,0|0,0,2]=4 1004 B12R2.18 OC1C2CCCCC2OC1=O Amb24556830 [0,1,0,1,0,0|0,0,2]=4 1005 B12R2.18 OC=1C(=O)CC2CCCCC12 Amb25713047 [0,1,0,1,0,0|1,0,0]=3 1006 B12R2.18 OC=1C(=O)NC2=CCCCC21 Amb25759493 [0,1,0,1,0,0|1,0,1]=4 1007 B12R2.18 OC=1C(=O)N[C@@H]2CCCCC12 Amb24374654 [0,1,0,1,0,0|1,0,0]=3 1008 B12R2.2343 CC=1C(=O)[C@@H](C)[C@H]2CCCC12 Amb24646481 [0,1,0,1,0,0|2,0,0]=4 1009 B12R2.2343 CC=1C2CCCC2C(=O)C1C Amb24752490 [0,1,0,1,0,0|2,0,0]=4 1010 B12R2.2343 CC=1C2COCC2C(=O)C1C Amb25150249 [0,1,0,1,0,0|2,0,0]=4 1011 B12R2.2343 CC=1[C@@H]2COC[C@@H]2C(=O)C1C Amb24654956 [0,1,0,1,0,0|2,0,0]=4 1012 B12R2.2343 CC=1[C@H]2COC[C@H]2C(=O)C1C Amb25282765 [0,1,0,1,0,0|2,0,0]=4 1013 B12R2.2343 O=C1C(C)C2C(=C1C)CCC2 Amb17593745 [0,1,0,1,0,0|2,0,0]=4 1014 B12R2.3892 CC12CCCC1=C(Cl)C(=O)C2 Amb25347514 [0,1,0,1,0,0|2,0,0]=4 1015 B12R2.3892 CC12CCCC1=C(O)C(=O)C2 Amb24486434 [0,1,0,1,0,0|1,0,0]=3 1016 B12R2.3892 CC=1C(=O)C[C@@]2(C)CCCC21 Amb25066314 [0,1,0,1,0,0|2,0,0]=4 1017 B12R2.3892 CC=1C(=O)C[C@]2(C)CCCC21 Amb22356895 [0,1,0,1,0,0|2,0,0]=4 1018 B12R2.5546 C[C@@H]1[C@@H]2C(C)=C(C)C(=O)[C@]12C Amb24512588 [0,1,0,1,0,0|2,0,0]=4 1019 B12R2.591 CC1OCC=2C1CC(=O)C2Cl Amb24357202 [0,1,0,1,0,0|2,0,0]=4 1020 B12R2.591 CC=1C(=O)CC2C(C)CCC12 Amb25270017 [0,1,0,1,0,0|2,0,0]=4 1021 B12R2.591 CC=1C(=O)C[C@@H]2[C@@H](C)CCC12 Amb24656006 [0,1,0,1,0,0|2,0,0]=4 1022 B12R2.591 CC=1C(=O)C[C@@H]2[C@H](C)CCC12 Amb24564907 [0,1,0,1,0,0|2,0,0]=4 1023 B12R2.591 CC=1C(=O)C[C@H]2[C@H](C)CCC12 Amb24602879 [0,1,0,1,0,0|2,0,0]=4 1024 B12R2.591 C[C@H]1OCC=2[C@@H]1CC(=O)C2Cl Amb24551538 [0,1,0,1,0,0|2,0,0]=4 1025 B12R2.619 C=C1C2C(O)CCC2OC1=O Amb25296297 [0,1,0,1,0,0|1,0,1]=4 1026 B12R2.619 C=C1C2[C@H](O)CCC2OC1=O Amb25792417 [0,1,0,1,0,0|1,0,1]=4 1027 B12R2.2263 CCC1OC(=O)c2[s]ccc21 Amb25694054 [0,1,0,1,0,0|0,1,1]=4 1028 B12R2.2263 CCC1OC(=O)c2cc[s]c21 Amb25149398 [0,1,0,1,0,0|1,0,1]=4 1029 B12R2.72 CCC=1C(=O)CC2CCCC12 Amb24528901 [0,1,0,1,0,0|2,0,0]=4 1030 B12R2.72 ON=C1C(=O)OC=2CCCC21 Amb25855063 [0,1,0,1,0,0|0,0,1]=3 1031 B12R2.72 O\C=C/1\[C@H]2CCC[C@H]2OC1=O Amb24520242 [0,1,0,1,0,0|0,0,1]=3 1032 B8R1.16 CC1CC(=O)C1CC Amb25271505 [1,0,0,0,1,0|0,0,2]=4 1033 B8R1.16 CCC1C(=O)CC1=O Amb24505184 [1,0,0,0,1,0|1,0,1]=4 1034 B8R1.16 C[C@@H]1NC(=O)[C@@H]1CC Amb24582655 [1,0,0,0,1,0|1,0,1]=4 1035 B8R1.16 C[C@H]1NC(=O)[C@@H]1CC Amb24516988 [1,0,0,0,1,0|1,0,1]=4 1036 B8R1.46 CCC1NC(=O)C1=C Amb24713912 [1,0,0,0,1,0|1,0,1]=4 1037 B8R1.46 C[C@@H]1[C@H](CBr)OC1=O Amb24612442 [1,0,0,0,1,0|1,0,1]=4 1038 B8R1.46 C[C@@H]1[C@H](CC)NC1=O Amb24580120 [1,0,0,0,1,0|1,0,1]=4 1039 B8R1.46 C[C@H]1[C@H](CBr)OC1=O Amb24626650 [1,0,0,0,1,0|1,0,1]=4 1040 B8R1.25 CC=1C(=O)C(Cl)C1C Amb25351861 [1,0,0,0,1,0|2,0,0]=4 1041 B10R0.26 C\C(=C/C(=O)C(O)=O)\SCC Amb18647855 [0,0,1,0,0,1|1,0,1]=4 1042 B10R0.18 COC(=N)NC(=O)OCCC Amb25384667 [0,0,1,0,0,1|2,0,0]=4 1043 B10R0.45 CCC(COC(=O)C=C)CC Amb17934046 [0,0,1,0,0,1|1,0,1]=4 1044 B10R1.8 CC1=CC(=O)C=C(CC)O1 Amb24707086 [1,0,0,0,0,1|1,0,1]=4 1045 B10R1.8 CC1=CC(=O)CC(CC)O1 Amb25370580 [1,0,0,0,0,1|1,0,0]=3 1046 B10R1.8 CC=1C=C(CBr)OC(=O)C1 Amb21949901 [1,0,0,0,0,1|1,0,1]=4 1047 B10R1.8 CC=1C=C(CC)OC(=O)C1 Amb20247499 [1,0,0,0,0,1|0,0,1]=3 1048 B10R1.8 CC=1C=C(CO)OC(=O)C1 Amb24354383 [1,0,0,0,0,1|1,0,1]=4 1049 B10R1.8 CC=1CC(CC(=O)C1)CC Amb20621610 [1,0,0,0,0,1|1,0,0]=3 1050 B10R1.8 CC=1CC(CCl)OC(=O)C1 Amb25097137 [1,0,0,0,0,1|1,0,0]=3 1051 B10R1.8 CC=1CN(CC(=O)C1)CC Amb22283969 [1,0,0,0,0,1|2,0,0]=4 1052 B10R1.8 CCN1CC(=CC(=O)C1)C Amb1091985 [1,0,0,0,0,1|2,0,0]=4 1053 B10R1.25 CC1=CC(=O)CCC1CO Amb24478187 [1,0,0,0,0,1|2,0,0]=4 1054 B10R1.25 CC1=CC(=O)NN=C1CC Amb24559678 [1,0,0,0,0,1|1,0,1]=4 1055 B10R1.25 CCC1OCC(=O)C=C1N Amb24479115 [1,0,0,0,0,1|1,0,0]=3 1056 B10R1.25 CCC1OCC(=O)CC1=O Amb25213873 [1,0,0,0,0,1|1,0,1]=4 1057 B10R1.25 CCC1ONC(=O)NC1=O Amb25223161 [1,0,0,0,0,1|2,0,0]=4 1058 B10R1.118 CC1OC(=O)C(O)=CC1=O Amb25773386 [1,0,0,0,0,1|1,0,0]=3