0 B10R1.34 CC1=C(C)C(C=O)NC1=O Amb28346286 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.34 CC1=C(CO)OC(=O)C1C Amb27405195 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.34 CC1=C(CO)OC(=O)[C@@H]1C Amb27598300 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.34 CC1C(CBr)OC(=O)C1N Amb28127554 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.34 CC1C(CO)OC(=O)C1N Amb27838157 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.34 CCC1=C(C)C(O)C(=O)O1 Amb27428593 [0,0,0,0,0,0|0,0,2]=2 6 B10R1.34 CCC1=C(C)N(N)C(=O)N1 Amb27837941 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.34 CCC1NC(=O)N(N)C1=O Amb18124627 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.34 CCC1OC(=O)C(N)=C1O Amb27204242 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.34 CCC1OC(=O)C(O)=C1C Amb8386152 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.34 CCC1OC(=O)C(O)=C1O Amb28208679 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.34 CCC1OC(=O)C(O)C1C Amb27978237 [0,0,0,0,0,0|0,0,2]=2 12 B10R1.34 CCC1OC(=O)N(C)C1O Amb28050713 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.34 CCC1OC(C)=C(O)C1=O Amb8393154 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.34 CCC1OC(C)C(=O)C1=O Amb26476543 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.34 CCN1OC(C)=C(C)C1=O Amb27222293 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.34 CC[C@@H]1OC(=O)[C@@H](N)[C@@H]1C Amb27235698 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.34 CCc1sc(Cl)c(N)c1C Amb28050340 [0,0,0,0,0,0|2,1,1]=4 18 B10R1.34 CCn1nc(C)c(Br)c1C Amb8492480 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.34 CCn1nc(C)c(C)c1C Amb27590795 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.34 CCn1nc(C)c(Cl)c1C Amb9173515 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.34 CCn1nc(C)c(I)c1C Amb16230358 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.34 CCn1nc(C)c(N)c1C Amb2693591 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.34 CCn1nc(C)c(N)c1C Amb33534186 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.34 CCn1nc(C)c(O)c1C Amb25274551 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.34 CCn1nc(C)c(S)c1C Amb25146299 [0,0,0,0,0,0|3,1,0]=4 26 B10R1.34 CCn1nc(N)c(Br)c1C Amb9776335 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.34 CCn1nc(N)c(Cl)c1C Amb9778760 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.34 CCn1nc(N)c(I)c1C Amb23449669 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.34 CCn1nc(N)c(N)c1C Amb16186824 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.34 CCn1nc(N)c(N)c1C Amb19889136 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.34 CN1C(=O)OC(CN)C1=O Amb27794322 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.34 COC1CC(=O)C(C)=C1C Amb27409641 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.34 COC1CC(C)=C(O)C1=O Amb27945514 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.34 C[C@@H]1[C@H](F)C(=O)O[C@H]1CO Amb27651952 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.34 C[C@@H]1[C@H](N)C(=O)O[C@H]1CO Amb27974858 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.34 C[C@H]1[C@@H](CO)OC(=O)[C@@H]1F Amb27199274 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.34 C[C@H]1[C@@H](CO)OC(=O)[C@H]1F Amb27661999 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.34 C\C=C1\CC(=O)C(C)=C1C Amb27490975 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.34 C\C=C1\OC(C)=C(O)C1=O Amb25112154 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.34 Cc1oc(CN)c(C)c1Cl Amb27963117 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.34 Cc1oc(CO)c(C)c1Cl Amb28140850 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.34 NC1=C(O)C(CO)OC1=O Amb27872313 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.34 NC1=C(O)[C@@H](CO)OC1=O Amb25299244 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.34 NC[C@H]1OC(=O)[C@H](O)[C@@H]1O Amb28252195 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.34 N[C@@H]1[C@@H](CO)OC(=O)[C@H]1O Amb28248121 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.34 O=C1CC(CO)C(O)=C1O Amb25373972 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.34 O=C1OC(CO)C(=O)C1=O Amb27454917 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.34 O=C1OC(CO)C(Cl)=C1O Amb27455001 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.34 O=C1OC(CO)C(F)=C1F Amb27980725 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.34 O=C1OC(CO)C(O)C1O Amb17939855 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.34 O=C1OC(CO)[C@@H](O)[C@H]1O Amb17619935 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.34 O=C1O[C@@H](CO)[C@@H](O)[C@H]1O Amb25213906 [0,0,0,0,0,0|2,0,2]=4 53 B10R1.34 O=C1O[C@@H](CO)[C@H](O)[C@@H]1O Amb22750699 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.34 O=C1O[C@H](CBr)[C@H](O)[C@H]1O Amb25288213 [0,0,0,0,0,0|2,0,2]=4 55 B10R1.34 O=C1O[C@H](CO)C(=O)C1=O Amb25060580 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.34 O=C1O[C@H](CO)C(Cl)=C1O Amb27655365 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.34 O=C1O[C@H](CO)C(O)=C1O Amb25697045 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.34 O=C1O[C@H](CO)[C@@H](O)C1O Amb27184238 [0,0,0,0,0,0|2,0,2]=4 59 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@@H]1O Amb26551603 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O Amb533327 [0,0,0,0,0,0|2,0,2]=4 61 B10R1.34 O=C1O[C@H](CO)[C@H](O)[C@@H]1O Amb26579511 [0,0,0,0,0,0|2,0,2]=4 62 B10R1.34 O=C1O[C@H](CO)[C@H](O)[C@H]1O Amb26427722 [0,0,0,0,0,0|2,0,2]=4 63 B9R1.22 CC1=C(CBr)OC(=O)O1 Amb19894710 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.22 CC1=C(CCl)OC(=O)O1 Amb19957854 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.22 CC1=C(CI)OC(=O)O1 Amb35752599 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.22 CC1=C(CN)OC(=O)O1 Amb33456082 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.22 CC1=C(CN)OC(=O)O1 Amb33482751 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.22 CC1=C(CO)OC(=O)O1 Amb21962117 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.22 CC1=C(CS)OC(=O)O1 Amb32650870 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.22 CC1=CC(=O)O[C@H]1CO Amb27399693 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.22 CC1CC(=O)OC1CO Amb28049216 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.22 CC1CC(=O)O[C@@H]1CO Amb27956619 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.22 CC1NC(=O)OC1CN Amb27782505 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.22 CC1NC(=O)OC1CO Amb27438567 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.22 CC1OC(=O)OC1CBr Amb28366962 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.22 CC1OC(=O)OC1CCl Amb26457359 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.22 CC1OC(=O)OC1CO Amb28315510 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.22 CCC1=C(C)NC(=O)N1 Amb19766314 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.22 CCC1CC(=O)NC1=O Amb24117084 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.22 CCC1CC(=O)NC1C Amb27391224 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.22 CCC1CC(=O)OC1=O Amb24571652 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.22 CCC1NC(=O)CC1=O Amb18203277 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.22 CCC1NC(=O)CC1C Amb24578188 [1,0,0,0,0,0|1,0,2]=4 84 B9R1.22 CCC1NC(=O)N=C1N Amb28187835 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.22 CCC1NC(=O)NC1=O Amb1126591 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.22 CCC1NC(=O)NC1C Amb26851881 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.22 CCC1NC(=O)OC1C Amb27860236 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.22 CCC1OC(=O)CC1=O Amb27249611 [1,0,0,0,0,0|1,0,1]=3 89 B9R1.22 CCC1OC(=O)N=C1N Amb27956607 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.22 CCC1OC(N)=NC1=O Amb27621148 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.22 CCC1SC(=O)NC1=O Amb10782080 [1,0,0,0,0,0|2,1,0]=4 92 B9R1.22 CCN1OC(C)=CC1=O Amb28049290 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.22 CC[C@@H]1NC(=O)NC1=O Amb25146165 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.22 CC[C@@H]1NC(=O)OC1=O Amb27837741 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.22 CC[C@@H]1NC(=O)O[C@@H]1C Amb28324056 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.22 CC[C@@H]1OC(=O)C[C@@H]1O Amb28207149 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.22 CC[C@@H]1OC(=O)N[C@H]1C Amb27881540 [1,0,0,0,0,0|1,0,1]=3 98 B9R1.22 CC[C@H]1NC(=O)NC1=O Amb28325068 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.22 CC[C@H]1NC(=O)O[C@H]1C Amb27194202 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.22 CC[C@H]1OC(=O)C[C@H]1O Amb28292165 [1,0,0,0,0,0|1,0,2]=4 101 B9R1.22 CC[C@H]1OC(=O)N[C@H]1C Amb28252714 [1,0,0,0,0,0|1,0,1]=3 102 B9R1.22 CCc1oc(Br)nc1C Amb27812219 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.22 CCc1oc(C)nc1C Amb27593942 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.22 CCc1oc(N)cc1C Amb18832815 [1,0,0,0,0,0|1,0,1]=3 105 B9R1.22 CCc1oc(S)nc1C Amb28285200 [1,0,0,0,0,0|1,1,1]=4 106 B9R1.22 CCc1sc(N)cc1C Amb18143528 [1,0,0,0,0,0|1,1,1]=4 107 B9R1.22 CCn1nc(Br)cc1C Amb20619951 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.22 CCn1nc(C)cc1C Amb535340 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.22 CCn1nc(Cl)cc1C Amb22755186 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.22 CCn1nc(I)cc1C Amb20620000 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.22 CCn1nc(N)cc1C Amb535305 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.22 COC1NC(=O)C=C1C Amb28045807 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.22 COC1OC(=O)C=C1Br Amb22490505 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.22 C[C@@H]1CC(=O)O[C@H]1CCl Amb27976633 [1,0,0,0,0,0|1,0,2]=4 115 B9R1.22 C[C@@H]1CC(=O)O[C@H]1CO Amb28053667 [1,0,0,0,0,0|1,0,2]=4 116 B9R1.22 C[C@@H]1OC(=O)O[C@H]1CO Amb27204022 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.22 C[C@H]1CC(=O)O[C@@H]1CO Amb27450606 [1,0,0,0,0,0|1,0,2]=4 118 B9R1.22 C\C=C1\OC(=O)C=C1N Amb28059814 [1,0,0,0,0,0|1,0,2]=4 119 B9R1.22 Cc1cc(Br)oc1CBr Amb33450693 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.22 Cc1cc(Br)oc1CCl Amb33450657 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.22 Cc1cc(Br)oc1CN Amb18253037 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.22 Cc1cc(Br)oc1CO Amb27180451 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.22 Cc1cc(Br)oc1CS Amb33387587 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.22 Cc1cc(I)oc1CN Amb26641183 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.22 Cc1oc(=O)oc1CO Amb22270084 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.23 C=C1CC(CC)OC1=O Amb8389609 [1,0,0,0,0,0|1,0,1]=3 127 B9R1.23 C=C1C[C@@H](CO)OC1=O Amb33716106 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.23 CCC1CC(=O)C(=O)O1 Amb27838789 [1,0,0,0,0,0|0,0,2]=3 129 B9R1.23 CCC1CC(N)C(=O)O1 Amb27647519 [1,0,0,0,0,0|1,0,2]=4 130 B9R1.23 CCC1CC(O)C(=O)O1 Amb28049114 [1,0,0,0,0,0|0,0,2]=3 131 B9R1.23 CCC1OC(=O)C(F)S1 Amb27232508 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.23 CC[C@@H]1C[C@@H](O)C(=O)O1 Amb27472678 [1,0,0,0,0,0|0,0,2]=3 133 B9R1.23 CC[C@@H]1C[C@H](O)C(=O)O1 Amb27184446 [1,0,0,0,0,0|0,0,2]=3 134 B9R1.23 CC[C@@H]1OC(=O)[C@@H](F)S1 Amb28123499 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.23 CC[C@H]1C[C@@H](O)C(=O)O1 Amb27428268 [1,0,0,0,0,0|0,0,2]=3 136 B9R1.23 CC[C@H]1OC(=O)[C@@H](F)S1 Amb24514953 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.23 CCc1cc(C)c(C)o1 Amb27264803 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.23 CCc1cc(S)c(C)o1 Amb27240758 [1,0,0,0,0,0|1,1,1]=4 139 B9R1.23 COC1C=C(C)C(=O)C1 Amb28351569 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.23 O=C1OC(CBr)CC1O Amb27760415 [1,0,0,0,0,0|1,0,2]=4 141 B9R1.23 O=C1OC(CCl)CC1O Amb27841626 [1,0,0,0,0,0|1,0,2]=4 142 B9R1.23 O=C1OC(CO)C=C1Cl Amb27466585 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.23 O=C1OC(CO)C=C1O Amb27603990 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.23 O=C1O[C@@H](CO)C[C@@H]1O Amb27783829 [1,0,0,0,0,0|1,0,2]=4 145 B9R1.23 O=C1O[C@H](CO)C=C1O Amb28046806 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.37 C=C1C(=O)CC(C)C1=O Amb28192131 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.37 C=C1C(=O)OC(C)C1O Amb28315459 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.37 C=C1NC(=O)C(O)=C1C Amb27614159 [1,0,0,0,0,0|1,0,2]=4 149 B9R1.37 CC1=C(C)C(=O)OC1=O Amb2778195 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.37 CC1=C(C)C(C)NC1=O Amb28285100 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.37 CC1=C(C)C(C)OC1=O Amb21926616 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.37 CC1=C(C)C(O)OC1=O Amb17778789 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.37 CC1=C(Cl)C(=O)OC1O Amb24401510 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.37 CC1=C(N)C(C)OC1=O Amb27174518 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.37 CC1=C(O)C(=O)C(C)O1 Amb8386150 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.37 CC1=C(O)C(=O)CC1=O Amb26341802 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.37 CC1=C(O)C(=O)CC1C Amb26593809 [1,0,0,0,0,0|1,0,0]=2 158 B9R1.37 CC1=C(O)C(=O)CC1O Amb28315501 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.37 CC1=C(O)C(=O)OC1C Amb8393149 [1,0,0,0,0,0|0,0,0]=1 160 B9R1.37 CC1=C(O)C(=O)[C@@H](C)O1 Amb27222092 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.37 CC1=C(O)C(C)OC1=O Amb26075854 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.37 CC1=C(O)C(O)C(=O)O1 Amb25769590 [1,0,0,0,0,0|1,0,2]=4 163 B9R1.37 CC1=[C-]C(C)C(C)=C1C Amb22231409 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.37 CC1CC(=O)C(=O)C1C Amb8514920 [1,0,0,0,0,0|1,0,2]=4 165 B9R1.37 CC1CC(=O)C(O)=C1O Amb27153105 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.37 CC1OC(=O)C(=O)C1C Amb24360322 [1,0,0,0,0,0|0,0,2]=3 167 B9R1.37 CC1OC(=O)C(Br)C1=O Amb27401885 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.37 CC1OC(=O)C(N)=C1N Amb27185472 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.37 CC1OC(=O)C(N)C1C Amb27424680 [1,0,0,0,0,0|1,0,2]=4 170 B9R1.37 CC1OC(=O)C(O)C1=O Amb27222152 [1,0,0,0,0,0|1,0,1]=3 171 B9R1.37 CC1OC(=O)C(O)C1Br Amb27966842 [1,0,0,0,0,0|1,0,2]=4 172 B9R1.37 CC1OC(=O)C(O)C1I Amb27253078 [1,0,0,0,0,0|1,0,2]=4 173 B9R1.37 C[C@@H]1OC(=O)C(N)=C1O Amb27850737 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.37 C[C@@H]1OC(=O)C(O)=C1O Amb25332813 [1,0,0,0,0,0|1,0,0]=2 175 B9R1.37 C[C@@H]1OC(=O)[C@@H](N)[C@@H]1C Amb27203003 [1,0,0,0,0,0|1,0,2]=4 176 B9R1.37 C[C@@H]1OC(=O)[C@@H](N)[C@H]1C Amb25946352 [1,0,0,0,0,0|1,0,2]=4 177 B9R1.37 C[C@@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27857584 [1,0,0,0,0,0|1,0,2]=4 178 B9R1.37 C[C@@H]1OC(=O)[C@H](N)[C@@H]1C Amb27961355 [1,0,0,0,0,0|1,0,2]=4 179 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb25327544 [1,0,0,0,0,0|1,0,2]=4 180 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1I Amb2612169 [1,0,0,0,0,0|1,0,2]=4 181 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb24714713 [1,0,0,0,0,0|1,0,2]=4 182 B9R1.37 C[C@H]1OC(=O)C(Br)C1=O Amb27865464 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27438513 [1,0,0,0,0,0|1,0,2]=4 184 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@H]1O Amb27640250 [1,0,0,0,0,0|1,0,2]=4 185 B9R1.37 C[C@H]1OC(=O)[C@H](N)[C@H]1C Amb27421606 [1,0,0,0,0,0|1,0,2]=4 186 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@@H]1O Amb27642097 [1,0,0,0,0,0|1,0,2]=4 187 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@H]1O Amb27432207 [1,0,0,0,0,0|1,0,2]=4 188 B9R1.37 C[C@H]1[C@H](N)C(=O)O[C@@H]1C Amb26415247 [1,0,0,0,0,0|1,0,2]=4 189 B9R1.37 Cc1nn(C)c(C)c1O Amb19337696 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.37 Cc1oc(C)c(C)c1C Amb22339529 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.37 O=C1OC(O)C(Br)=C1Br Amb534854 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.37 O=C1OC(O)C(Cl)=C1Cl Amb9703190 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.37 O=C1OC(O)C(Cl)=C1O Amb27956629 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.37 O=C1OC(O)C(I)=C1Cl Amb27480445 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.132 CCN1OC=C(Br)C1=O Amb28349801 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.132 CCc1noc(O)c1C Amb27852326 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.132 CCc1onc(N)c1C Amb18832753 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.132 CCn1ccc(O)c1C Amb26866203 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.132 CCn1ncc(Br)c1C Amb9133080 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.132 CCn1ncc(Cl)c1C Amb9173512 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.132 CCn1ncc(I)c1C Amb16230357 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.132 CCn1ncc(N)c1C Amb1946095 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.132 CCn1ncc(N)c1C Amb2693464 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.132 CCn1ncc(N)c1C Amb6502744 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.186 CCCC1CC(=O)C(O)=C1C Amb27762481 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.186 CCCC1CC(C)=C(O)C1=O Amb27599474 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.186 CCCC1OC(C)=C(O)C1=O Amb26020806 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.186 CCCn1nc(C)c(O)c1C Amb27617315 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.186 CCNC1CC(C)=C(O)C1=O Amb27223923 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.186 CCOC1OC(=O)C(C)=C1C Amb27792271 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.186 CCOC1OC(=O)C(Cl)=C1C Amb27962368 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.186 CC\C=C1\NC(=O)C(C)=C1C Amb27176367 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.186 COC[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb28064045 [0,1,0,0,0,0|1,0,2]=4 214 B11R1.186 COC[C@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27858007 [0,1,0,0,0,0|1,0,2]=4 215 B11R1.186 COC[C@H]1OC(=O)[C@H](O)[C@H]1O Amb27218618 [0,1,0,0,0,0|1,0,2]=4 216 B11R1.186 C\C=C\[C@@H]1OC(=O)C(C)=C1O Amb24309205 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.186 C\C=C\[C@H]1OC(=O)C(C)=C1O Amb27445638 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.186 Cc1nn(CCO)c(C)c1O Amb27469349 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.186 O=C1O[C@H](CCO)[C@H](O)[C@H]1O Amb27218933 [0,1,0,0,0,0|1,0,2]=4 220 B11R1.370 CCC1OC(=O)C(O)C1(C)O Amb27972356 [0,1,0,0,0,0|0,0,2]=3 221 B11R1.370 CC[C@H]1OC(=O)[C@@H](O)[C@@]1(C)O Amb28138774 [0,1,0,0,0,0|0,0,2]=3 222 B11R1.419 CC1=C(O)C(C)(CO)OC1=O Amb2612976 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.419 CCC1(C)N=C(C)C(C)=C1C Amb24395128 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.419 CCC1(C)OC(=O)N(C)C1=O Amb10843640 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.470 C=C1C(=O)C(O)=C(C)[C@@H]1CC Amb27434214 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.470 C=C1C(=O)C(O)=C(C)[C@H]1CC Amb28076106 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.470 CCC1C(C)=C(C)C(C)=C1C Amb8515266 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.470 CCN1C(C)=C(C)C(=O)N1C Amb28382239 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.672 CC(C)C1CC(=O)N(O)C1=O Amb25330894 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.672 CC(C)C1OC(=O)C(O)C1C Amb25300361 [0,1,0,0,0,0|0,0,2]=3 231 B11R1.672 CC(C)[C@H]1OC(=O)[C@@H](O)[C@@H]1C Amb25943755 [0,1,0,0,0,0|0,0,2]=3 232 B11R1.672 CC(C)[C@H]1OC(=O)[C@H](O)[C@H]1C Amb27799785 [0,1,0,0,0,0|0,0,2]=3 233 B11R1.672 CC(N)C1OC(=O)C(O)C1O Amb27474499 [0,1,0,0,0,0|1,0,2]=4 234 B11R1.672 CC(O)C1NC(=O)C(O)=C1O Amb25299310 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.672 CC1=C(C)C(C(C)C)CC1=O Amb28351442 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.672 CC1=C(C)C(C(C)C)NC1=O Amb27176468 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.672 CC1=C(O)C(=O)C(C(C)C)O1 Amb28284885 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.672 CC1=C(O)C(=O)CC1C(C)C Amb28386585 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.672 CC1=C(O)[C@@H](C(C)C)OC1=O Amb26425998 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.672 C[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb27978353 [0,1,0,0,0,0|1,0,2]=4 241 B11R1.672 C[C@@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O Amb27782435 [0,1,0,0,0,0|1,0,2]=4 242 B11R1.672 C[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@@H]1O Amb27775557 [0,1,0,0,0,0|1,0,2]=4 243 B11R1.672 C[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O Amb27452006 [0,1,0,0,0,0|1,0,2]=4 244 B11R1.672 C[C@H](O)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27184182 [0,1,0,0,0,0|1,0,2]=4 245 B11R1.672 C[C@H](O)[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb28197990 [0,1,0,0,0,0|1,0,2]=4 246 B11R1.672 Cc1nn(C(C)C)c(C)c1O Amb23450172 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.976 CCC1=C(Cl)C(=O)OC1OC Amb27834354 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.976 CCC1OC(=O)C(N)C1OC Amb28341002 [0,1,0,0,0,0|1,0,2]=4 249 B11R1.976 CC[C@H]1OC(=O)[C@H](O)[C@H]1OC Amb27197448 [0,1,0,0,0,0|0,0,2]=3 250 B11R1.976 CCc1oc(C)c(C)c1CN Amb33298801 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.976 CCc1oc(C)c(C)c1CO Amb33298855 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.976 COC1C(CO)OC(=O)C1O Amb27396362 [0,1,0,0,0,0|1,0,2]=4 253 B11R1.976 CO[C@H]1[C@H](O)C(=O)O[C@@H]1CO Amb27452041 [0,1,0,0,0,0|1,0,2]=4 254 B11R1.977 CCn1nc(C=O)c(O)c1C Amb18200826 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.978 CCC1=C(C)C(CO)NC1=O Amb27176366 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.978 CCC1OC(=O)C(OC)=C1F Amb27848543 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.978 CCc1oc(N)c(C#N)c1C Amb27242509 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.978 CCn1nc(C)c(CO)c1C Amb2692183 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.978 CO[C@@H]1OC(C)=C(CO)[C@H]1C Amb27775785 [0,1,0,0,0,0|2,0,1]=4 260 B9R0.6 C=C(C(=O)O)C(C)CCC Amb33321132 [0,0,1,0,0,0|1,0,1]=3 261 B9R0.6 C=C(C(=O)O)C(C)OCC Amb33425050 [0,0,1,0,0,0|2,0,1]=4 262 B9R0.6 C=C(CCC)[C@H](N)C(=O)O Amb27404609 [0,0,1,0,0,0|1,0,2]=4 263 B9R0.6 CCCC(C)C(=O)C(=O)O Amb24747027 [0,0,1,0,0,0|0,0,2]=3 264 B9R0.6 CCCC(C)C(=O)C(C)=O Amb28144170 [0,0,1,0,0,0|1,0,2]=4 265 B9R0.6 CCCC(C)C(C)C(=O)O Amb28050123 [0,0,1,0,0,0|1,0,2]=4 266 B9R0.6 CCCC(C)C(N)C(=O)O Amb20622789 [0,0,1,0,0,0|1,0,2]=4 267 B9R0.6 CCCC(C)C(O)C(=O)O Amb27809670 [0,0,1,0,0,0|0,0,2]=3 268 B9R0.6 CCCC(C)C(O)C(C)=O Amb27645205 [0,0,1,0,0,0|1,0,2]=4 269 B9R0.6 CCCC(C)C(O)C(N)=O Amb27407802 [0,0,1,0,0,0|1,0,2]=4 270 B9R0.6 CCCC(C)[C@@H](C)C(=O)O Amb33727115 [0,0,1,0,0,0|1,0,2]=4 271 B9R0.6 CCCC(C)[C@@H](N)C(=O)O Amb26624121 [0,0,1,0,0,0|1,0,2]=4 272 B9R0.6 CCCC(C)[C@H](C)C(=O)O Amb33749068 [0,0,1,0,0,0|1,0,2]=4 273 B9R0.6 CCCC(C)[C@H](N)C(=O)O Amb26512364 [0,0,1,0,0,0|1,0,2]=4 274 B9R0.6 CCCC(O)C(O)C(=O)O Amb27772742 [0,0,1,0,0,0|1,0,2]=4 275 B9R0.6 CCCC(O)[C@@H](O)C(=O)O Amb27256644 [0,0,1,0,0,0|1,0,2]=4 276 B9R0.6 CCC[C@@H](C)[C@@H](C)C(=O)O Amb27961440 [0,0,1,0,0,0|1,0,2]=4 277 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O Amb22747816 [0,0,1,0,0,0|1,0,2]=4 278 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O Amb22747809 [0,0,1,0,0,0|1,0,2]=4 279 B9R0.6 CCC[C@H](C)[C@@H](N)C(=O)O Amb27801051 [0,0,1,0,0,0|1,0,2]=4 280 B9R0.6 CCC[C@H](C)[C@@H](O)C(=O)O Amb28050149 [0,0,1,0,0,0|0,0,2]=3 281 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O Amb29838293 [0,0,1,0,0,0|1,0,2]=4 282 B9R0.6 CCC[C@H](N)C(O)C(=O)O Amb27229636 [0,0,1,0,0,0|1,0,2]=4 283 B9R0.6 CCC[C@H](N)[C@@H](O)C(=O)O Amb26344900 [0,0,1,0,0,0|1,0,2]=4 284 B9R0.6 CCC[C@H](N)[C@H](O)C(=O)O Amb25084552 [0,0,1,0,0,0|1,0,2]=4 285 B9R0.6 CCC\C(C)=C(/C)C(=O)O Amb28072401 [0,0,1,0,0,0|1,0,0]=2 286 B9R0.6 CCC\C(C)=C(/F)C(=O)O Amb27655820 [0,0,1,0,0,0|1,0,0]=2 287 B9R0.6 CCC\C(N)=C(\C)C(N)=O Amb27257782 [0,0,1,0,0,0|3,0,0]=4 288 B9R0.6 CCC\C(O)=C(/C)C(N)=O Amb28199025 [0,0,1,0,0,0|3,0,0]=4 289 B9R0.6 CCOC(=O)C(=O)C(=O)O Amb27392066 [0,0,1,0,0,0|2,0,1]=4 290 B9R0.6 CCOC(=O)C(O)C(=O)O Amb28050048 [0,0,1,0,0,0|2,0,1]=4 291 B9R0.6 CCOC(C)C(=O)C(=O)O Amb33425710 [0,0,1,0,0,0|1,0,2]=4 292 B9R0.6 CCOC(C)C(O)C(=O)O Amb33425709 [0,0,1,0,0,0|1,0,2]=4 293 B9R0.6 CCO\C(F)=C(/F)C(=O)O Amb28119923 [0,0,1,0,0,0|3,0,0]=4 294 B9R0.6 CCS\C(C)=C(/C)C(=O)O Amb28436848 [0,0,1,0,0,0|2,0,0]=3 295 B9R0.6 CC\C=C(/C)C(O)C(C)=O Amb28202152 [0,0,1,0,0,0|1,0,2]=4 296 B9R0.6 CC\C=C(\C)C(C)C(=O)O Amb27619278 [0,0,1,0,0,0|1,0,2]=4 297 B9R0.6 CN(CCF)C(=O)C(=O)O Amb28314056 [0,0,1,0,0,0|2,0,1]=4 298 B9R0.6 COCC(C)C(O)C(=O)O Amb27596283 [0,0,1,0,0,0|1,0,2]=4 299 B9R0.6 COC\C(Br)=C(/C)C(=O)O Amb27782370 [0,0,1,0,0,0|3,0,0]=4 300 B9R0.6 COC\C(C)=C(/F)C(=O)O Amb27868085 [0,0,1,0,0,0|2,0,0]=3 301 B9R0.6 COC\C(O)=C(/N)C(=O)O Amb27786739 [0,0,1,0,0,0|3,0,0]=4 302 B9R0.8 C=C(C#N)C(=O)OCCC Amb26860718 [0,0,1,0,0,0|2,0,1]=4 303 B9R0.8 C=CC(=O)C(=O)CCCC Amb27617179 [0,0,1,0,0,0|1,0,2]=4 304 B9R0.8 C=CC(O)C(=O)OCCC Amb24685952 [0,0,1,0,0,0|0,0,2]=3 305 B9R0.8 C=CC(O)C(=O)OCCO Amb28423431 [0,0,1,0,0,0|1,0,2]=4 306 B9R0.8 C=CCOC(=O)\C(C)=C/C Amb27809452 [0,0,1,0,0,0|1,0,2]=4 307 B9R0.8 C=CCOC(=O)\C(C)=C\C Amb16192930 [0,0,1,0,0,0|1,0,2]=4 308 B9R0.8 CCCCC(=O)C(=O)OC Amb22755702 [0,0,1,0,0,0|2,0,1]=4 309 B9R0.8 CCCCC(=O)C(O)OC Amb27267184 [0,0,1,0,0,0|2,0,1]=4 310 B9R0.8 CCCNC(=O)C(=O)NC Amb3607686 [0,0,1,0,0,0|2,0,1]=4 311 B9R0.8 CCCOC(=O)C(=O)CF Amb27616563 [0,0,1,0,0,0|1,0,2]=4 312 B9R0.8 CCCOC(=O)C(Br)CC Amb18090817 [0,0,1,0,0,0|1,0,2]=4 313 B9R0.8 CCCOC(=O)C(Cl)CC Amb27865645 [0,0,1,0,0,0|1,0,2]=4 314 B9R0.8 CCCOC(=O)C(O)CC Amb28281680 [0,0,1,0,0,0|0,0,2]=3 315 B9R0.8 CCCOC(=O)C(O)CCl Amb27469638 [0,0,1,0,0,0|1,0,2]=4 316 B9R0.8 CCCOC(=O)C(O)CN Amb27947610 [0,0,1,0,0,0|1,0,2]=4 317 B9R0.8 CCCOC(=O)N(C)OC Amb26381360 [0,0,1,0,0,0|3,0,0]=4 318 B9R0.8 CCCOC(=O)N(N)CC Amb33191320 [0,0,1,0,0,0|2,0,1]=4 319 B9R0.8 COC(=O)C(=O)OCCO Amb27832192 [0,0,1,0,0,0|2,0,1]=4 320 B9R0.8 C\C=C(/C)C(=O)CCCC Amb27614929 [0,0,1,0,0,0|2,0,0]=3 321 B9R0.8 C\C=C(/C)C(=O)CCOC Amb27434156 [0,0,1,0,0,0|3,0,0]=4 322 B9R0.8 C\C=C(/C)C(=O)CCSC Amb28457470 [0,0,1,0,0,0|3,0,0]=4 323 B9R0.8 C\C=C(/C)C(=O)OCCC Amb6297268 [0,0,1,0,0,0|1,0,0]=2 324 B9R0.8 C\C=C(\C)C(=O)NCCF Amb27424778 [0,0,1,0,0,0|3,0,0]=4 325 B9R0.8 C\C=C(\C)C(=O)NCCN Amb27961387 [0,0,1,0,0,0|3,0,0]=4 326 B9R0.8 C\C=C(\C)C(=O)NCCO Amb27775653 [0,0,1,0,0,0|3,0,0]=4 327 B9R0.8 C\C=C(\C)C(=O)OCCCl Amb27488786 [0,0,1,0,0,0|2,0,0]=3 328 B9R0.8 C\C=C(\C)C(=O)OCCF Amb27970715 [0,0,1,0,0,0|2,0,0]=3 329 B9R0.26 C=CC(=O)OC(CO)OC Amb27805335 [0,0,1,0,0,0|3,0,0]=4 330 B9R0.26 CCC(=O)OC(CC)CC Amb27826277 [0,0,1,0,0,0|1,0,2]=4 331 B9R0.26 CCC(CC)OC(=O)CBr Amb27841500 [0,0,1,0,0,0|1,0,2]=4 332 B9R0.26 CCC(CC)OC(=O)CO Amb27472647 [0,0,1,0,0,0|0,0,2]=3 333 B9R0.26 CCC(CC)O\C(C)=C/Cl Amb27616262 [0,0,1,0,0,0|2,0,1]=4 334 B9R0.26 CCC(CC)O\C(C)=C\Cl Amb28457477 [0,0,1,0,0,0|2,0,1]=4 335 B9R0.27 C=CC(O)C(C)C(O)CC Amb27805116 [0,0,1,0,0,0|1,0,2]=4 336 B9R0.27 C=C[C@H](O)[C@H](C)[C@@H](O)CC Amb27829863 [0,0,1,0,0,0|1,0,2]=4 337 B9R0.27 CC[C@@H](O)[C@@H](O)[C@@H](O)C=O Amb28345011 [0,0,1,0,0,0|1,0,2]=4 338 B9R0.27 O=CC(O)C(=O)C(O)CO Amb27954199 [0,0,1,0,0,0|2,0,1]=4 339 B9R0.27 O=C[C@H](O)C(=O)[C@H](O)CO Amb28428603 [0,0,1,0,0,0|2,0,1]=4 340 B11R2.8 CC1=C2COCC2CC1=O Amb28049453 [0,0,0,1,0,0|3,0,0]=4 341 B11R2.8 Cc1oc2c(c1Br)CCC2 Amb18187182 [0,0,0,1,0,0|2,0,1]=4 342 B11R2.8 Cc1oc2c(c1N)CCC2 Amb18203046 [0,0,0,1,0,0|2,0,1]=4 343 B11R2.8 N[C@@H]1C(=O)O[C@@H]2CCC[C@H]12 Amb27447235 [0,0,0,1,0,0|1,0,2]=4 344 B11R2.8 N[C@H]1C(=O)O[C@H]2CCC[C@H]21 Amb26603825 [0,0,0,1,0,0|1,0,2]=4 345 B11R2.8 N[C@H]1C(=O)O[C@H]2CCC[C@H]21 Amb33299442 [0,0,0,1,0,0|1,0,2]=4 346 B11R2.8 O=C1CC2CCCC2=C1Cl Amb27883105 [0,0,0,1,0,0|2,0,0]=3 347 B11R2.8 O=C1C[C@H]2CCC[C@H]2N1O Amb27848479 [0,0,0,1,0,0|2,0,1]=4 348 B11R2.8 O=C1OC2CCCC2C1Br Amb28364996 [0,0,0,1,0,0|1,0,2]=4 349 B11R2.8 O=C1O[C@@H]2CCC[C@@H]2[C@H]1Br Amb27782361 [0,0,0,1,0,0|1,0,2]=4 350 B11R2.494 CC1=C(C)[C@@H]2CC[C@@H]2C1=O Amb28052173 [0,0,0,1,0,0|2,0,0]=3 351 B9R1.28 COC1=C(C)C(=O)C1=O Amb28074604 [0,0,0,0,1,0|1,0,2]=4 352 B11R1.8 CCC1=C(C)C(C)=CC(=O)N1 Amb28292799 [0,0,0,0,0,1|2,0,1]=4 353 B11R1.8 CCC1=C(C)C(O)=CC(=O)N1 Amb27951530 [0,0,0,0,0,1|1,0,1]=3 354 B11R1.8 CCC1OC(=O)CC(O)C1C Amb27432242 [0,0,0,0,0,1|0,0,2]=3 355 B11R1.8 CC[C@H]1OC(=O)C[C@H](O)[C@@H]1C Amb28411156 [0,0,0,0,0,1|0,0,2]=3 356 B11R1.8 CCc1nc(N)nc(O)c1C Amb2387486 [0,0,0,0,0,1|2,0,1]=4 357 B11R1.8 CCc1nc(S)nc(O)c1C Amb2786140 [0,0,0,0,0,1|1,1,1]=4 358 B11R1.8 C[C@@H]1[C@H](O)CC(=O)O[C@H]1CO Amb27420314 [0,0,0,0,0,1|1,0,2]=4 359 B11R1.14 CC1=C(O)C(=O)C=C(CCl)O1 Amb27858616 [0,0,0,0,0,1|2,0,1]=4 360 B11R1.14 CCC1=CC(=O)C(O)=C(C)O1 Amb27802506 [0,0,0,0,0,1|1,0,1]=3 361 B11R1.14 CCC1=NC(C)=C(Cl)C(=O)N1 Amb22435951 [0,0,0,0,0,1|2,0,1]=4 362 B11R1.14 CCC1=NC(C)=C(F)C(=O)N1 Amb24643270 [0,0,0,0,0,1|2,0,1]=4 363 B11R1.14 CC[C@H]1C[C@@H](O)[C@H](O)C(=O)O1 Amb27854197 [0,0,0,0,0,1|1,0,2]=4 364 B11R1.14 CCc1cc(C)c(O)c(C)c1 Amb28284791 [0,0,0,0,0,1|2,0,1]=4 365 B11R1.277 CCC1=C(C)C=C(Br)C(=O)N1 Amb27481646 [0,0,0,0,0,1|2,0,1]=4 366 B11R1.277 CCC1=C(C)C=C(I)C(=O)N1 Amb23559839 [0,0,0,0,0,1|2,0,1]=4 367 B11R1.277 CCC1=C(Cl)N=C(Cl)C(=O)O1 Amb24485949 [0,0,0,0,0,1|2,0,1]=4 368 B11R1.277 CCC1=CC(=O)C(O)=CC1=O Amb28381208 [0,0,0,0,0,1|2,0,1]=4 369 B11R1.277 CCC1NC(=O)C(=O)NC1=O Amb26873752 [0,0,0,0,0,1|2,0,1]=4 370 B11R1.277 CCC1OC(=O)C(C)NC1=O Amb28397500 [0,0,0,0,0,1|2,0,1]=4 371 B11R1.277 CCc1cc(C)c(O)cc1C Amb24475204 [0,0,0,0,0,1|2,0,1]=4 372 B11R1.278 CCC1=NNC(=O)C(C)=C1C Amb35706857 [0,0,0,0,0,1|2,0,1]=4 373 B11R1.278 CCN1C=CC(=O)C(O)=C1C Amb18043727 [0,0,0,0,0,1|2,0,0]=3 374 B11R1.278 CC[C@@H]1OC=C(C)C(=O)[C@H]1C Amb27262925 [0,0,0,0,0,1|1,0,2]=4 375 B8R0.2 C=C(C(=O)O)C(C)CC Amb18642655 [1,0,1,0,0,0|1,0,1]=4 376 B8R0.2 C=C(C(=O)O)[C@@H](O)CC Amb28253249 [1,0,1,0,0,0|0,0,1]=3 377 B8R0.2 C=C(C(C)=O)[C@@H](O)CC Amb27165607 [1,0,1,0,0,0|1,0,1]=4 378 B8R0.2 C=C(C(C)=O)[C@H](O)CC Amb27634796 [1,0,1,0,0,0|1,0,1]=4 379 B8R0.2 C=C(C)C(C)C(O)CC Amb28401073 [1,0,1,0,0,0|1,0,1]=4 380 B8R0.2 C=C(C)[C@@H](C)[C@@H](O)CC Amb28319535 [1,0,1,0,0,0|1,0,1]=4 381 B8R0.2 CCC(=O)C(=O)C(=O)O Amb31097725 [1,0,1,0,0,0|1,0,1]=4 382 B8R0.2 CCC(Br)C(=O)C(=O)O Amb27232743 [1,0,1,0,0,0|2,0,0]=4 383 B8R0.2 CCC(C)C(=O)C(=O)O Amb2695339 [1,0,1,0,0,0|0,0,2]=4 384 B8R0.2 CCC(C)C(C)C(=O)O Amb18290719 [1,0,1,0,0,0|1,0,1]=4 385 B8R0.2 CCC(C)C(O)C(=O)O Amb18288809 [1,0,1,0,0,0|0,0,2]=4 386 B8R0.2 CCC(C)[C@@H](C)C(=O)O Amb10844494 [1,0,1,0,0,0|1,0,1]=4 387 B8R0.2 CCC(C)[C@H](C)C(=O)O Amb10844495 [1,0,1,0,0,0|1,0,1]=4 388 B8R0.2 CCC(F)C(=O)C(=O)O Amb27489910 [1,0,1,0,0,0|2,0,0]=4 389 B8R0.2 CCC(O)C(C)C(=O)O Amb10844267 [1,0,1,0,0,0|0,0,1]=3 390 B8R0.2 CCC(O)C(C)C(C)=O Amb26336386 [1,0,1,0,0,0|1,0,1]=4 391 B8R0.2 CCC(O)C(F)C(=O)O Amb33136388 [1,0,1,0,0,0|1,0,1]=4 392 B8R0.2 CCC(O)C(N)C(=O)O Amb18203168 [1,0,1,0,0,0|1,0,1]=4 393 B8R0.2 CCC(O)[C@H](N)C(=O)O Amb24364655 [1,0,1,0,0,0|1,0,1]=4 394 B8R0.2 CCN(C)C(=O)C(=O)O Amb9304051 [1,0,1,0,0,0|1,0,1]=4 395 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O Amb26063750 [1,0,1,0,0,0|0,0,2]=4 396 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Amb27879857 [1,0,1,0,0,0|0,0,1]=3 397 B8R0.2 CC[C@@H](O)[C@@H](C)C(C)=O Amb26600956 [1,0,1,0,0,0|1,0,1]=4 398 B8R0.2 CC[C@H](C)C(=O)C(=O)O Amb28075584 [1,0,1,0,0,0|0,0,2]=4 399 B8R0.2 CC[C@H](C)C(C)C(=O)O Amb27950556 [1,0,1,0,0,0|1,0,1]=4 400 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O Amb2694797 [1,0,1,0,0,0|0,0,2]=4 401 B8R0.2 CC[C@H](N)[C@H](C)C(=O)O Amb27779460 [1,0,1,0,0,0|1,0,1]=4 402 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O Amb26981388 [1,0,1,0,0,0|1,0,1]=4 403 B8R0.2 CC[C@H](O)[C@H](Br)C(=O)O Amb28285137 [1,0,1,0,0,0|1,0,1]=4 404 B8R0.2 CC[C@H](O)[C@H](C)C(C)=O Amb27590145 [1,0,1,0,0,0|1,0,1]=4 405 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O Amb26024594 [1,0,1,0,0,0|1,0,1]=4 406 B8R0.2 CC\C(C)=C(/C)C(=O)O Amb27424733 [1,0,1,0,0,0|1,0,0]=3 407 B8R0.2 CC\C(C)=C(/C)C(C)=O Amb28421971 [1,0,1,0,0,0|2,0,0]=4 408 B8R0.2 CC\C(C)=C(/C)C(N)=O Amb27791930 [1,0,1,0,0,0|2,0,0]=4 409 B8R0.2 CC\C(O)=C(\C)C(=O)O Amb27253362 [1,0,1,0,0,0|0,0,1]=3 410 B8R0.2 C[C@H](C(=O)O)[C@@H](O)CN Amb28056248 [1,0,1,0,0,0|1,0,1]=4 411 B8R0.2 C\C(C=O)=C(\C)C(C)C Amb27217523 [1,0,1,0,0,0|2,0,0]=4 412 B8R0.2 O=C(O)C(=O)C(O)CO Amb27408895 [1,0,1,0,0,0|2,0,0]=4 413 B8R0.3 C=C(CC)C(=O)OCC Amb22353551 [1,0,1,0,0,0|1,0,1]=4 414 B8R0.3 C=CC(=C)C(=O)CCC Amb27262985 [1,0,1,0,0,0|1,0,1]=4 415 B8R0.3 C=CC(=O)C(=O)OCC Amb27771723 [1,0,1,0,0,0|0,0,2]=4 416 B8R0.3 C=CC(O)C(=O)OCC Amb27441470 [1,0,1,0,0,0|0,0,2]=4 417 B8R0.3 CCC(O)C(C)NC=O Amb28070967 [1,0,1,0,0,0|1,0,1]=4 418 B8R0.3 CCCC(=O)C(O)CC Amb28141445 [1,0,1,0,0,0|0,0,2]=4 419 B8R0.3 CCCC(=O)\C(C)=C\O Amb27838701 [1,0,1,0,0,0|2,0,0]=4 420 B8R0.3 CCCC(=O)\C(O)=C\O Amb27206861 [1,0,1,0,0,0|1,0,0]=3 421 B8R0.3 CCC\C(C)=C(/F)CO Amb28315467 [1,0,1,0,0,0|1,0,1]=4 422 B8R0.3 CCOC(=O)C(=N)SC Amb25795405 [1,0,1,0,0,0|2,0,0]=4 423 B8R0.3 CCOC(=O)C(=O)C=O Amb28239382 [1,0,1,0,0,0|1,0,1]=4 424 B8R0.3 CCOC(=O)C(=O)CC Amb15701231 [1,0,1,0,0,0|0,0,2]=4 425 B8R0.3 CCOC(=O)C(=O)NC Amb3886555 [1,0,1,0,0,0|1,0,1]=4 426 B8R0.3 CCOC(=O)C(=[NH2+])SC Amb31308298 [1,0,1,0,0,0|2,0,0]=4 427 B8R0.3 CCOC(=O)C(O)CC Amb3939695 [1,0,1,0,0,0|0,0,2]=4 428 B8R0.3 CCOC(=O)C(O)OC Amb28315450 [1,0,1,0,0,0|1,0,1]=4 429 B8R0.3 CCOC(=O)[C@@H](O)CC Amb27169160 [1,0,1,0,0,0|0,0,2]=4 430 B8R0.3 CCOC(=O)[C@H](O)CC Amb27156876 [1,0,1,0,0,0|0,0,2]=4 431 B8R0.3 CCOC(=O)\C(Br)=C\Br Amb24339171 [1,0,1,0,0,0|2,0,0]=4 432 B8R0.3 CCOC(=O)\C(C)=C/Br Amb30621741 [1,0,1,0,0,0|2,0,0]=4 433 B8R0.3 CCOC(=O)\C(C)=C/Cl Amb25045062 [1,0,1,0,0,0|2,0,0]=4 434 B8R0.3 CCOC(=O)\C(C)=C\Br Amb27880887 [1,0,1,0,0,0|2,0,0]=4 435 B8R0.3 CCOC(=O)\C(C)=C\N Amb27875412 [1,0,1,0,0,0|2,0,0]=4 436 B8R0.3 CCOC(=O)\C(Cl)=C/Cl Amb28119820 [1,0,1,0,0,0|2,0,0]=4 437 B8R0.3 CCOC(=O)\C(F)=C\F Amb27985112 [1,0,1,0,0,0|2,0,0]=4 438 B8R0.3 CCOC(=O)\C(F)=C\N Amb27860433 [1,0,1,0,0,0|2,0,0]=4 439 B8R0.3 CC[C@@H](O)[C@@H](C)\C=C/Cl Amb27878785 [1,0,1,0,0,0|1,0,1]=4 440 B8R0.3 CC\C=C(/C)C(O)CC Amb22052676 [1,0,1,0,0,0|1,0,1]=4 441 B8R0.3 CC\C=C(\C)C(O)CC Amb27637528 [1,0,1,0,0,0|1,0,1]=4 442 B8R0.3 CC\C=C(\C)[C@H](O)CC Amb27665467 [1,0,1,0,0,0|1,0,1]=4 443 B8R0.3 C\C=C(/C)C(=N)OCC Amb27784277 [1,0,1,0,0,0|2,0,0]=4 444 B8R0.3 C\C=C(/C)C(=O)CCC Amb27838645 [1,0,1,0,0,0|1,0,0]=3 445 B8R0.3 C\C=C(/C)C(=O)NCC Amb28049420 [1,0,1,0,0,0|2,0,0]=4 446 B8R0.3 C\C=C(/C)C(=O)OCC Amb4021649 [1,0,1,0,0,0|1,0,0]=3 447 B8R0.3 C\C=C(/N)C(=O)OCC Amb27460193 [1,0,1,0,0,0|1,0,0]=3 448 B8R0.3 C\C=C(\C)C(=O)OCC Amb27867863 [1,0,1,0,0,0|1,0,0]=3 449 B8R0.3 C\C=C(\Cl)C(=O)CCCl Amb27666360 [1,0,1,0,0,0|2,0,0]=4 450 B8R0.3 C\C=C\[C@H](C)[C@H](O)CC Amb27979205 [1,0,1,0,0,0|1,0,1]=4 451 B8R0.5 CCCC(C)CC(=O)O Amb6749227 [1,0,1,0,0,0|0,0,2]=4 452 B8R0.5 CCCN(C)CC(=O)O Amb19373314 [1,0,1,0,0,0|1,0,1]=4 453 B8R0.5 CCCN(C)CC(=O)O Amb8899167 [1,0,1,0,0,0|1,0,1]=4 454 B8R0.5 CCC[C@H](C)CC(=O)O Amb10844381 [1,0,1,0,0,0|0,0,2]=4 455 B8R0.5 CCC\C(C)=C\C(=O)O Amb33528454 [1,0,1,0,0,0|0,0,0]=2 456 B8R0.5 CCC\C(C)=C\C(C)=O Amb28289440 [1,0,1,0,0,0|1,0,0]=3 457 B8R0.5 CCC\C(C)=C\C(N)=O Amb27799064 [1,0,1,0,0,0|1,0,0]=3 458 B8R0.5 CCC\C(N)=C\C(N)=O Amb27620335 [1,0,1,0,0,0|2,0,0]=4 459 B8R0.5 CCN\C(C)=C\C(C)=O Amb27843358 [1,0,1,0,0,0|2,0,0]=4 460 B8R0.5 CCO\C(C)=C/C(C)=O Amb25147210 [1,0,1,0,0,0|2,0,0]=4 461 B8R0.5 CCO\C(C)=C\C(C)=O Amb28134099 [1,0,1,0,0,0|2,0,0]=4 462 B8R0.5 CCO\C(N)=C\C(=O)O Amb28285256 [1,0,1,0,0,0|2,0,0]=4 463 B8R0.5 CC\N=C(C)/C=C(/C)O Amb28076028 [1,0,1,0,0,0|2,0,0]=4 464 B8R0.5 CC\N=C(C)/C=C(\C)O Amb28142992 [1,0,1,0,0,0|2,0,0]=4 465 B8R0.5 CC\N=C(C)\C=C(\C)O Amb27967083 [1,0,1,0,0,0|2,0,0]=4 466 B8R0.5 COC\C(C)=C\C(=O)O Amb25311787 [1,0,1,0,0,0|1,0,0]=3 467 B8R0.5 COC\C(C)=C\C(C)=O Amb28323854 [1,0,1,0,0,0|2,0,0]=4 468 B8R0.5 C\C(=C\C(=O)O)CCS Amb28345950 [1,0,1,0,0,0|1,0,0]=3 469 B8R0.5 C\C=C\C(C)=C\C(=O)O Amb28201686 [1,0,1,0,0,0|0,0,2]=4 470 B8R0.5 O=C(O)\C=C(/Cl)CCO Amb27845284 [1,0,1,0,0,0|2,0,0]=4 471 B8R0.8 C=C(C)C(=O)CCCC Amb27968800 [1,0,1,0,0,0|2,0,0]=4 472 B8R0.8 C=C(C)C(=O)NCCC Amb27204510 [1,0,1,0,0,0|2,0,0]=4 473 B8R0.8 C=C(C)C(=O)OCCBr Amb17933963 [1,0,1,0,0,0|2,0,0]=4 474 B8R0.8 C=C(C)C(=O)OCCC Amb17933169 [1,0,1,0,0,0|1,0,0]=3 475 B8R0.8 C=C(C)C(=O)OCCF Amb10839749 [1,0,1,0,0,0|2,0,0]=4 476 B8R0.8 C=C(C)C(=O)OCCN Amb2720244 [1,0,1,0,0,0|2,0,0]=4 477 B8R0.8 C=C(C)C(=O)OCCN Amb3941408 [1,0,1,0,0,0|2,0,0]=4 478 B8R0.8 C=C(C)C(=O)OCCO Amb24061252 [1,0,1,0,0,0|2,0,0]=4 479 B8R0.8 C=C(C)C(=O)OCCO Amb8395005 [1,0,1,0,0,0|2,0,0]=4 480 B8R0.8 C=C(CCCC)C(=O)O Amb18642649 [1,0,1,0,0,0|1,0,1]=4 481 B8R0.8 C=C(\C=C\CC)C(=O)O Amb33267978 [1,0,1,0,0,0|1,0,1]=4 482 B8R0.8 CC(=O)C(=O)OCCBr Amb27816166 [1,0,1,0,0,0|1,0,1]=4 483 B8R0.8 CC(O)C(=O)OCCBr Amb33276524 [1,0,1,0,0,0|1,0,1]=4 484 B8R0.8 CC(O)C(=O)OCCCl Amb26074602 [1,0,1,0,0,0|1,0,1]=4 485 B8R0.8 CC(O)C(=O)OCCO Amb24061251 [1,0,1,0,0,0|1,0,1]=4 486 B8R0.8 CCCCC(=O)C(=O)O Amb18642761 [1,0,1,0,0,0|0,0,2]=4 487 B8R0.8 CCCCC(=O)C(C)=O Amb2721315 [1,0,1,0,0,0|1,0,1]=4 488 B8R0.8 CCCCC(=O)[C@@H](C)O Amb25829551 [1,0,1,0,0,0|1,0,1]=4 489 B8R0.8 CCCCC(=O)[C@H](C)O Amb25097116 [1,0,1,0,0,0|1,0,1]=4 490 B8R0.8 CCCCC(O)C(=O)O Amb3941634 [1,0,1,0,0,0|0,0,2]=4 491 B8R0.8 CCCC[C@H](O)C(=O)O Amb27626002 [1,0,1,0,0,0|0,0,2]=4 492 B8R0.8 CCCNC(=O)C(=O)O Amb9303791 [1,0,1,0,0,0|1,0,1]=4 493 B8R0.8 CCCNC(=O)C(C)=O Amb17399819 [1,0,1,0,0,0|1,0,1]=4 494 B8R0.8 CCCNC(=O)C(C)O Amb9421398 [1,0,1,0,0,0|1,0,1]=4 495 B8R0.8 CCCNC(=O)N(C)O Amb27867919 [1,0,1,0,0,0|2,0,0]=4 496 B8R0.8 CCCNC(=O)[C@@H](C)O Amb25317170 [1,0,1,0,0,0|1,0,1]=4 497 B8R0.8 CCCOC(=N)C(C)O Amb27444735 [1,0,1,0,0,0|1,0,1]=4 498 B8R0.8 CCCOC(=O)C(=O)Cl Amb27164480 [1,0,1,0,0,0|1,0,1]=4 499 B8R0.8 CCCOC(=O)C(=O)O Amb28399593 [1,0,1,0,0,0|1,0,0]=3 500 B8R0.8 CCCOC(=O)C(C)=O Amb25838665 [1,0,1,0,0,0|0,0,1]=3 501 B8R0.8 CCCOC(=O)C(C)Br Amb24351605 [1,0,1,0,0,0|1,0,1]=4 502 B8R0.8 CCCOC(=O)C(C)Cl Amb9787445 [1,0,1,0,0,0|1,0,1]=4 503 B8R0.8 CCCOC(=O)C(C)N Amb8874760 [1,0,1,0,0,0|1,0,1]=4 504 B8R0.8 CCCOC(=O)C(C)O Amb3939699 [1,0,1,0,0,0|0,0,1]=3 505 B8R0.8 CCCOC(=O)N(C)C Amb27393446 [1,0,1,0,0,0|2,0,0]=4 506 B8R0.8 CCCOC(=O)N(C)N Amb33191433 [1,0,1,0,0,0|2,0,0]=4 507 B8R0.8 CCCOC(=O)[C@@H](C)Cl Amb27233619 [1,0,1,0,0,0|1,0,1]=4 508 B8R0.8 CCCOC(=O)[C@H](C)N Amb28255132 [1,0,1,0,0,0|1,0,1]=4 509 B8R0.8 CCCOC(=O)[C@H](C)N Amb33249867 [1,0,1,0,0,0|1,0,1]=4 510 B8R0.8 CCCOC(=O)[C@H](C)O Amb8517137 [1,0,1,0,0,0|0,0,1]=3 511 B8R0.8 CCCSC(=S)C(=O)O Amb27808849 [1,0,1,0,0,0|1,1,0]=4 512 B8R0.8 CCCSC(O)C(=O)O Amb27592135 [1,0,1,0,0,0|1,0,1]=4 513 B8R0.8 CCC\C=C(/Br)C(=O)O Amb27816159 [1,0,1,0,0,0|1,0,0]=3 514 B8R0.8 CCC\C=C(/C)C(=O)O Amb10844998 [1,0,1,0,0,0|1,0,0]=3 515 B8R0.8 CCC\C=C(/C)C(C)=O Amb17593317 [1,0,1,0,0,0|2,0,0]=4 516 B8R0.8 CCC\C=C(/F)C(C)=O Amb27227052 [1,0,1,0,0,0|2,0,0]=4 517 B8R0.8 CCC\C=C(\F)C(=O)O Amb27448669 [1,0,1,0,0,0|1,0,0]=3 518 B8R0.8 CCO\C=C(/Br)C(=O)O Amb27198193 [1,0,1,0,0,0|2,0,0]=4 519 B8R0.8 CCO\C=C(/C)C(=O)O Amb27249542 [1,0,1,0,0,0|2,0,0]=4 520 B8R0.8 CCO\C=C(\Br)C(=O)O Amb27645304 [1,0,1,0,0,0|2,0,0]=4 521 B8R0.8 CCO\C=C(\O)C(C)=O Amb27486167 [1,0,1,0,0,0|2,0,0]=4 522 B8R0.8 CC\C=C\C(=O)C(=O)O Amb27486094 [1,0,1,0,0,0|0,0,2]=4 523 B8R0.8 CC\C=C\C(O)C(=O)O Amb27781864 [1,0,1,0,0,0|0,0,2]=4 524 B8R0.8 COCOC(=O)C(C)O Amb26601975 [1,0,1,0,0,0|1,0,1]=4 525 B8R0.8 COC\C=C(\Br)C(=O)O Amb24580462 [1,0,1,0,0,0|2,0,0]=4 526 B8R0.8 COC\C=C(\C)C(=O)O Amb27169036 [1,0,1,0,0,0|2,0,0]=4 527 B8R0.8 COC\C=C(\F)C(=O)O Amb27872029 [1,0,1,0,0,0|2,0,0]=4 528 B8R0.8 C[C@@H](O)C(=O)OCCBr Amb33051943 [1,0,1,0,0,0|1,0,1]=4 529 B8R0.8 C[C@H](O)C(=O)OCCBr Amb33051905 [1,0,1,0,0,0|1,0,1]=4 530 B8R0.8 C[C@H](O)C(=O)OCCO Amb28325065 [1,0,1,0,0,0|1,0,1]=4 531 B8R0.8 C\C(=C/CCN)C(=O)O Amb28397850 [1,0,1,0,0,0|2,0,0]=4 532 B8R0.8 C\C=C\C=C(/O)C(=O)O Amb28368858 [1,0,1,0,0,0|0,0,2]=4 533 B8R0.8 NCC\C=C(\F)C(=O)O Amb27398392 [1,0,1,0,0,0|2,0,0]=4 534 B8R0.1 C=CCOC(=O)\C=C\C Amb4605887 [1,0,1,0,0,0|0,0,2]=4 535 B8R0.1 C=CNC(=O)OCCC Amb27472919 [1,0,1,0,0,0|1,0,1]=4 536 B8R0.1 CCCCC(=O)\C=C\Cl Amb24650002 [1,0,1,0,0,0|2,0,0]=4 537 B8R0.1 CCCCC(=O)\C=C\O Amb26515841 [1,0,1,0,0,0|2,0,0]=4 538 B8R0.1 CCCOC(=O)CCC Amb8517637 [1,0,1,0,0,0|0,0,2]=4 539 B8R0.1 CCCOC(=O)NCC Amb26642760 [1,0,1,0,0,0|1,0,1]=4 540 B8R0.1 C\C=C\C(=O)CCCC Amb22043314 [1,0,1,0,0,0|1,0,0]=3 541 B8R0.1 C\C=C\C(=O)NCCC Amb26018237 [1,0,1,0,0,0|1,0,0]=3 542 B8R0.1 C\C=C\C(=O)NCCN Amb18289751 [1,0,1,0,0,0|2,0,0]=4 543 B8R0.1 C\C=C\C(=O)NOCC Amb27620570 [1,0,1,0,0,0|2,0,0]=4 544 B8R0.1 C\C=C\C(=O)OCC#N Amb27661856 [1,0,1,0,0,0|1,0,1]=4 545 B8R0.1 C\C=C\C(=O)OCCBr Amb27409046 [1,0,1,0,0,0|1,0,0]=3 546 B8R0.1 C\C=C\C(=O)OCOC Amb28281527 [1,0,1,0,0,0|1,0,0]=3 547 B8R0.6 CCCO\C=C(/Br)C=O Amb27224779 [1,0,1,0,0,0|2,0,0]=4 548 B8R0.6 CCCO\C=C(\C)C=O Amb27789567 [1,0,1,0,0,0|2,0,0]=4 549 B8R0.15 CCC(NC=O)C(=O)O Amb4016839 [1,0,1,0,0,0|2,0,0]=4 550 B8R0.15 CCC(OC=O)C(C)=O Amb27590416 [1,0,1,0,0,0|0,0,1]=3 551 B8R0.15 CCC(OC=O)C(C)Cl Amb27605780 [1,0,1,0,0,0|1,0,1]=4 552 B8R0.15 C[C@@H](O)[C@H](CCl)OC=O Amb27807655 [1,0,1,0,0,0|1,0,1]=4 553 B8R0.11 CCC(CC)O\C=C/Cl Amb27233583 [1,0,1,0,0,0|1,0,1]=4 554 B8R0.16 C=CC(CC)CC(=O)O Amb18642661 [1,0,1,0,0,0|1,0,1]=4 555 B8R0.16 C=CC(CC)OC(C)=O Amb24325174 [1,0,1,0,0,0|0,0,2]=4 556 B8R0.16 C=C[C@@H](CC)CC(=O)O Amb27784737 [1,0,1,0,0,0|1,0,1]=4 557 B8R0.16 CCC(CC(=O)O)OC Amb19037306 [1,0,1,0,0,0|2,0,0]=4 558 B8R0.16 CCC(CC(=O)O)SC Amb18316304 [1,0,1,0,0,0|2,0,0]=4 559 B8R0.16 CCC(CC)CC(=O)O Amb6749211 [1,0,1,0,0,0|1,0,1]=4 560 B8R0.16 CCC(CC)OC(=O)Cl Amb26860668 [1,0,1,0,0,0|1,0,1]=4 561 B8R0.16 CCC(CC)OC(C)=O Amb24617396 [1,0,1,0,0,0|0,0,2]=4 562 B8R0.16 CCC(OC)OC(C)=O Amb28133007 [1,0,1,0,0,0|1,0,1]=4 563 B8R0.16 C\C=C(/CC)CC(=O)O Amb27473412 [1,0,1,0,0,0|1,0,1]=4 564 B8R0.19 C=CC(=O)C[C@@H](C)CC Amb27838707 [1,0,1,0,0,0|2,0,0]=4 565 B8R0.19 C=CC(=O)OC(C)CC Amb22733882 [1,0,1,0,0,0|1,0,0]=3 566 B8R0.19 CCC(C)CC(=O)CO Amb26515791 [1,0,1,0,0,0|1,0,1]=4 567 B8R0.19 CCC(C)CC(=O)NO Amb28321295 [1,0,1,0,0,0|2,0,0]=4 568 B8R0.19 CCC(C)NC(=O)CO Amb5798172 [1,0,1,0,0,0|1,0,1]=4 569 B8R0.19 CCC(C)OC(=O)CBr Amb28126234 [1,0,1,0,0,0|1,0,1]=4 570 B8R0.19 CCC(C)OC(=O)CCl Amb26360779 [1,0,1,0,0,0|1,0,1]=4 571 B8R0.19 CCC(C)OC(=O)CS Amb26841875 [1,0,1,0,0,0|0,1,1]=4 572 B8R0.19 CCC(C)OC(=O)NN Amb27769116 [1,0,1,0,0,0|2,0,0]=4 573 B8R0.19 CCC(C)\C=C(\C)C=O Amb27205774 [1,0,1,0,0,0|2,0,0]=4 574 B8R0.19 CC[C@@H](O)\C=C(/C)C=O Amb27257893 [1,0,1,0,0,0|1,0,0]=3 575 B8R1.1 CCC1=CCC(=O)O1 Amb27974572 [2,0,0,0,0,0|0,0,2]=4 576 B8R1.1 CCC1C=CC(=O)O1 Amb23571855 [2,0,0,0,0,0|0,0,0]=2 577 B8R1.1 CCC1CCC(=O)O1 Amb3941505 [2,0,0,0,0,0|0,0,2]=4 578 B8R1.1 CCC1CNC(=O)O1 Amb27237218 [2,0,0,0,0,0|1,0,1]=4 579 B8R1.1 CCC1COC(=O)O1 Amb2721339 [2,0,0,0,0,0|1,0,1]=4 580 B8R1.1 CC[C@@H]1C=CC(=O)O1 Amb27954643 [2,0,0,0,0,0|0,0,0]=2 581 B8R1.1 CC[C@@H]1CCC(=O)O1 Amb26626757 [2,0,0,0,0,0|0,0,2]=4 582 B8R1.1 CC[C@H]1C=CC(=O)O1 Amb28195329 [2,0,0,0,0,0|0,0,0]=2 583 B8R1.1 CC[C@H]1CCC(=O)O1 Amb25795415 [2,0,0,0,0,0|0,0,2]=4 584 B8R1.1 CC[C@H]1CNC(=O)O1 Amb27954656 [2,0,0,0,0,0|1,0,1]=4 585 B8R1.1 CCc1cc(O)no1 Amb22754624 [2,0,0,0,0,0|1,0,1]=4 586 B8R1.1 CCc1ccc(Br)o1 Amb10600653 [2,0,0,0,0,0|1,0,1]=4 587 B8R1.1 CCc1ccc(C)o1 Amb22235241 [2,0,0,0,0,0|1,0,1]=4 588 B8R1.1 CCc1ccc(Cl)o1 Amb27162312 [2,0,0,0,0,0|1,0,1]=4 589 B8R1.1 CCc1ccc(F)o1 Amb26028407 [2,0,0,0,0,0|1,0,1]=4 590 B8R1.1 CCc1ccc(I)o1 Amb26597699 [2,0,0,0,0,0|1,0,1]=4 591 B8R1.1 CCc1ccc(N)o1 Amb10600654 [2,0,0,0,0,0|1,0,1]=4 592 B8R1.1 CCc1ccc(O)o1 Amb28370537 [2,0,0,0,0,0|0,0,2]=4 593 B8R1.1 CCn1cc(O)cn1 Amb1945379 [2,0,0,0,0,0|2,0,0]=4 594 B8R1.1 COC1C=CC(=O)N1 Amb24444246 [2,0,0,0,0,0|2,0,0]=4 595 B8R1.1 COC1C=CC(=O)O1 Amb22490509 [2,0,0,0,0,0|1,0,0]=3 596 B8R1.1 NCC1C=CC(=O)O1 Amb27842373 [2,0,0,0,0,0|1,0,0]=3 597 B8R1.1 O=C1C=CC(CBr)O1 Amb24423424 [2,0,0,0,0,0|1,0,0]=3 598 B8R1.1 O=C1C=C[C@@H](CBr)O1 Amb28128549 [2,0,0,0,0,0|1,0,0]=3 599 B8R1.1 O=C1C=C[C@@H](CO)O1 Amb3939187 [2,0,0,0,0,0|1,0,0]=3 600 B8R1.1 O=C1C=C[C@H](CO)O1 Amb2699833 [2,0,0,0,0,0|1,0,0]=3 601 B8R1.11 CCC1OC=CC1=O Amb27828824 [2,0,0,0,0,0|1,0,0]=3 602 B8R1.11 CCc1occc1O Amb27444323 [2,0,0,0,0,0|1,0,1]=4 603 B8R1.11 CCc1ocnc1C Amb28186783 [2,0,0,0,0,0|1,0,1]=4 604 B8R1.11 CCn1nccc1C Amb6888496 [2,0,0,0,0,0|2,0,0]=4 605 B8R1.11 COc1occc1C Amb27625304 [2,0,0,0,0,0|1,0,1]=4 606 B8R1.11 Cc1ccoc1CBr Amb18183895 [2,0,0,0,0,0|1,0,1]=4 607 B8R1.11 Cc1ccoc1CCl Amb8860567 [2,0,0,0,0,0|1,0,1]=4 608 B8R1.11 Cc1ccoc1CN Amb6572131 [2,0,0,0,0,0|1,0,1]=4 609 B8R1.11 Cc1ccoc1CO Amb6572130 [2,0,0,0,0,0|1,0,1]=4 610 B8R1.11 Cc1ccoc1CS Amb25969059 [2,0,0,0,0,0|1,0,1]=4 611 B8R1.11 O=C1C=COC1CO Amb27482018 [2,0,0,0,0,0|2,0,0]=4 612 B8R1.18 C=C1CC(C)OC1=O Amb8389608 [2,0,0,0,0,0|1,0,1]=4 613 B8R1.18 CC1=C(C)OC(=O)N1 Amb19516947 [2,0,0,0,0,0|1,0,1]=4 614 B8R1.18 CC1=C(C)OC(=O)O1 Amb19654027 [2,0,0,0,0,0|1,0,1]=4 615 B8R1.18 CC1=CC(=O)C(C)O1 Amb2725441 [2,0,0,0,0,0|2,0,0]=4 616 B8R1.18 CC1=CC(=O)CC1C Amb16191977 [2,0,0,0,0,0|1,0,0]=3 617 B8R1.18 CC1=CC(=O)C[C@@H]1C Amb28316193 [2,0,0,0,0,0|1,0,0]=3 618 B8R1.18 CC1=CC(=O)C[C@H]1C Amb28316192 [2,0,0,0,0,0|1,0,0]=3 619 B8R1.18 CC1=CC(=O)NC1O Amb27838349 [2,0,0,0,0,0|2,0,0]=4 620 B8R1.18 CC1=CC(=O)NN1C Amb19149104 [2,0,0,0,0,0|2,0,0]=4 621 B8R1.18 CC1=CC(=O)NN1C Amb29083396 [2,0,0,0,0,0|2,0,0]=4 622 B8R1.18 CC1=CC(=O)OC1=O Amb6608948 [2,0,0,0,0,0|1,0,1]=4 623 B8R1.18 CC1=CC(=O)OC1Br Amb25144076 [2,0,0,0,0,0|1,0,0]=3 624 B8R1.18 CC1=CC(=O)OC1O Amb8389484 [2,0,0,0,0,0|1,0,0]=3 625 B8R1.18 CC1=CC(O)OC1=O Amb24589666 [2,0,0,0,0,0|2,0,0]=4 626 B8R1.18 CC1=NC(C)OC1=O Amb27429121 [2,0,0,0,0,0|2,0,0]=4 627 B8R1.18 CC1C=C(Cl)C(=O)N1 Amb28325995 [2,0,0,0,0,0|2,0,0]=4 628 B8R1.18 CC1C=C(O)C(=O)O1 Amb24332982 [2,0,0,0,0,0|0,0,0]=2 629 B8R1.18 CC1CC(=O)OC1C Amb27873473 [2,0,0,0,0,0|0,0,2]=4 630 B8R1.18 CC1CC(O)C(=O)O1 Amb27451083 [2,0,0,0,0,0|0,0,2]=4 631 B8R1.18 CC1NC(=O)C=C1O Amb27844475 [2,0,0,0,0,0|2,0,0]=4 632 B8R1.18 CC1NC(=O)OC1C Amb25747248 [2,0,0,0,0,0|1,0,1]=4 633 B8R1.18 CC1OC(=O)C=C1N Amb27838294 [2,0,0,0,0,0|1,0,0]=3 634 B8R1.18 CC1OC(=O)CC1=O Amb28290899 [2,0,0,0,0,0|1,0,1]=4 635 B8R1.18 CC1OC(=O)NC1=O Amb24357861 [2,0,0,0,0,0|2,0,0]=4 636 B8R1.18 CC1OC(=O)OC1=O Amb28315579 [2,0,0,0,0,0|2,0,0]=4 637 B8R1.18 CC1OC(=O)OC1C Amb27485944 [2,0,0,0,0,0|1,0,1]=4 638 B8R1.18 CN1OC(=O)C=C1N Amb25910818 [2,0,0,0,0,0|2,0,0]=4 639 B8R1.18 C[C@@H]1C=C(Br)C(=O)C1 Amb28318219 [2,0,0,0,0,0|2,0,0]=4 640 B8R1.18 C[C@@H]1NC(=O)C=C1O Amb27815038 [2,0,0,0,0,0|2,0,0]=4 641 B8R1.18 C[C@@H]1NC(=O)O[C@@H]1C Amb28132650 [2,0,0,0,0,0|1,0,1]=4 642 B8R1.18 C[C@H]1C=C(Br)C(=O)O1 Amb27244767 [2,0,0,0,0,0|1,0,0]=3 643 B8R1.18 C[C@H]1CC(=O)O[C@H]1C Amb27471867 [2,0,0,0,0,0|0,0,2]=4 644 B8R1.18 C[C@H]1C[C@H](O)C(=O)O1 Amb27852763 [2,0,0,0,0,0|0,0,2]=4 645 B8R1.18 Cc1cc(Br)oc1C Amb28128216 [2,0,0,0,0,0|1,0,1]=4 646 B8R1.18 Cc1cc(C)c(C)o1 Amb10606773 [2,0,0,0,0,0|1,0,1]=4 647 B8R1.18 Cc1cc(Cl)oc1C Amb24437563 [2,0,0,0,0,0|1,0,1]=4 648 B8R1.18 O=C1C=C(Cl)C(Cl)O1 Amb27954144 [2,0,0,0,0,0|2,0,0]=4 649 B8R1.18 O=C1C=C(Cl)C(O)O1 Amb25889252 [2,0,0,0,0,0|2,0,0]=4 650 B8R1.18 O=C1OC(O)C=C1Cl Amb28139781 [2,0,0,0,0,0|2,0,0]=4 651 B8R1.18 O=C1OC(O)C=C1F Amb32655004 [2,0,0,0,0,0|2,0,0]=4 652 B8R1.50 CC1=C(Br)C(=O)CC1 Amb10067495 [2,0,0,0,0,0|2,0,0]=4 653 B8R1.50 CC1=C(Br)COC1=O Amb27854509 [2,0,0,0,0,0|2,0,0]=4 654 B8R1.50 CC1=C(C)C(=O)CC1 Amb22351730 [2,0,0,0,0,0|2,0,0]=4 655 B8R1.50 CC1=C(C)C(=O)NC1 Amb2778404 [2,0,0,0,0,0|2,0,0]=4 656 B8R1.50 CC1=C(Cl)C(=O)OC1 Amb26020563 [2,0,0,0,0,0|1,0,0]=3 657 B8R1.50 CC1=C(Cl)C(=O)ON1 Amb27431251 [2,0,0,0,0,0|2,0,0]=4 658 B8R1.50 CC1=C(O)C(=O)CC1 Amb4004294 [2,0,0,0,0,0|1,0,0]=3 659 B8R1.50 CC1=C(O)C(=O)CO1 Amb8386149 [2,0,0,0,0,0|2,0,0]=4 660 B8R1.50 CC1=C(O)C(=O)CS1 Amb27273133 [2,0,0,0,0,0|2,0,0]=4 661 B8R1.50 CC1=C(O)C(=O)OC1 Amb23571854 [2,0,0,0,0,0|0,0,0]=2 662 B8R1.50 CC1=C(O)C(=O)SC1 Amb24638526 [2,0,0,0,0,0|0,1,0]=3 663 B8R1.50 CC1=C(O)COC1=O Amb2611869 [2,0,0,0,0,0|2,0,0]=4 664 B8R1.50 CC1COC(=O)C1=O Amb27262699 [2,0,0,0,0,0|0,0,2]=4 665 B8R1.50 Cc1c(O)cnn1C Amb28316174 [2,0,0,0,0,0|2,0,0]=4 666 B8R1.50 Cc1noc(C)c1O Amb25353521 [2,0,0,0,0,0|2,0,0]=4 667 B8R1.50 Cc1onc(O)c1C Amb10552497 [2,0,0,0,0,0|1,0,1]=4 668 B8R1.50 NC1=C(O)COC1=O Amb27830449 [2,0,0,0,0,0|2,0,0]=4 669 B8R1.50 O=C1CCC(Br)=C1O Amb24677469 [2,0,0,0,0,0|2,0,0]=4 670 B8R1.50 O=C1CCC(Cl)=C1O Amb28316155 [2,0,0,0,0,0|2,0,0]=4 671 B8R1.50 O=C1CCC(O)=C1O Amb17593179 [2,0,0,0,0,0|2,0,0]=4 672 B8R1.50 O=C1NCC(O)=C1O Amb27815039 [2,0,0,0,0,0|2,0,0]=4 673 B8R1.50 O=C1OCC(Br)=C1Br Amb10067289 [2,0,0,0,0,0|2,0,0]=4 674 B8R1.50 O=C1OCC(Cl)=C1Cl Amb24551013 [2,0,0,0,0,0|2,0,0]=4 675 B8R1.50 O=C1OCC(O)=C1Br Amb5751200 [2,0,0,0,0,0|2,0,0]=4 676 B8R1.50 O=C1OCC(O)=C1F Amb27812981 [2,0,0,0,0,0|2,0,0]=4 677 B8R1.50 O=C1OCC(O)=C1O Amb23505710 [2,0,0,0,0,0|1,0,0]=3 678 B10R0.13 CC(C)CC(C)C(O)C(=O)O Amb27492041 [0,1,1,0,0,0|0,0,2]=4 679 B10R0.13 CC(C)CN(C)C(=O)C(=O)O Amb9304057 [0,1,1,0,0,0|1,0,1]=4 680 B10R0.13 CC(C)C\C(F)=C(/F)C(=O)O Amb27788370 [0,1,1,0,0,0|2,0,0]=4 681 B10R0.13 CC(N)C\C(Br)=C(/Br)C(=O)O Amb27848181 [0,1,1,0,0,0|2,0,0]=4 682 B10R0.13 CC(N)C\C(Cl)=C(/Cl)C(=O)O Amb27228115 [0,1,1,0,0,0|2,0,0]=4 683 B10R0.13 C[C@@H](O)CN(C)C(=O)C(=O)O Amb27988650 [0,1,1,0,0,0|1,0,1]=4 684 B10R0.25 CCCC(CN)C(O)C(=O)O Amb32693187 [0,1,1,0,0,0|0,0,2]=4 685 B10R0.25 CC\C(COC)=C(\F)C(=O)O Amb27671053 [0,1,1,0,0,0|2,0,0]=4 686 B10R0.35 CCCC(C)C(O)C(=O)OC Amb18800352 [0,1,1,0,0,0|0,0,2]=4 687 B10R0.35 CCC\C(C)=C(/Cl)C(=O)CC Amb27672622 [0,1,1,0,0,0|2,0,0]=4 688 B10R0.56 CCC(C)C(C)C(=O)C(=O)O Amb28079692 [0,1,1,0,0,0|0,0,2]=4 689 B10R0.56 CCC(C)C(C)C(O)C(=O)O Amb27492042 [0,1,1,0,0,0|0,0,2]=4 690 B10R0.56 CCC(C)\C(C)=C(\F)C(C)=O Amb28182535 [0,1,1,0,0,0|2,0,0]=4 691 B10R0.56 CCS(=O)\C(C)=C(/C)C(=O)O Amb28325722 [0,1,1,0,0,0|2,0,0]=4 692 B10R0.81 CCCCN(C)C(=O)C(=O)O Amb9303908 [0,1,1,0,0,0|1,0,1]=4 693 B10R0.81 CCCC\C(F)=C(\F)C(=O)O Amb27988466 [0,1,1,0,0,0|2,0,0]=4 694 B10R0.81 COCO\C(C)=C(/C)C(=O)O Amb27990213 [0,1,1,0,0,0|2,0,0]=4 695 B10R0.101 CCC\C(C)=C(/CC)C(C)=O Amb27673757 [0,1,1,0,0,0|2,0,0]=4 696 B10R0.101 CCC\C(C)=C(\CC)C(C)=O Amb28080303 [0,1,1,0,0,0|2,0,0]=4 697 B10R0.101 CCC\C(Cl)=C(/CC)C(=O)O Amb27269556 [0,1,1,0,0,0|2,0,0]=4 698 B10R0.101 CCO\C(C)=C(/C#N)C(=O)O Amb24271144 [0,1,1,0,0,0|2,0,0]=4 699 B10R0.104 CCCC(C)(C)C(O)C(=O)O Amb25385207 [0,1,1,0,0,0|0,0,2]=4 700 B10R0.19 CCCCC(=O)\C(C)=C/NC Amb27990305 [0,1,1,0,0,0|2,0,0]=4 701 B10R0.19 CCCCC(=O)\C(C)=C\NC Amb28080331 [0,1,1,0,0,0|2,0,0]=4 702 B10R0.21 CCCOC(=O)\C(C#N)=N\O Amb25384087 [0,1,1,0,0,0|1,0,1]=4 703 B10R0.46 C\C=C(/Cl)C(=O)C[C@@H](O)CC Amb27673844 [0,1,1,0,0,0|2,0,0]=4 704 B10R0.46 C\C=C(\Cl)C(=O)C[C@@H](O)CC Amb27673843 [0,1,1,0,0,0|2,0,0]=4 705 B10R0.57 C\C=C(/C)C(=O)OCC(C)C Amb24764651 [0,1,1,0,0,0|1,0,0]=3 706 B10R0.57 C\C=C(\C)C(=O)NCC(C)C Amb27607780 [0,1,1,0,0,0|2,0,0]=4 707 B10R0.57 C\C=C(\C)C(=O)OCC(C)C Amb22351313 [0,1,1,0,0,0|1,0,0]=3 708 B10R0.83 CCCCOC(=O)[C@@H](O)CC Amb22744893 [0,1,1,0,0,0|0,0,2]=4 709 B10R0.83 C\C=C(/C)C(=O)NCCSC Amb27988035 [0,1,1,0,0,0|2,0,0]=4 710 B10R0.83 C\C=C(/C)C(=O)\C=C\CCC Amb27672317 [0,1,1,0,0,0|2,0,0]=4 711 B10R0.83 C\C=C(/N)C(=O)OCCC#N Amb25385082 [0,1,1,0,0,0|1,0,1]=4 712 B10R0.83 C\C=C(\C)C(=O)NCCCN Amb27272041 [0,1,1,0,0,0|2,0,0]=4 713 B10R0.83 C\C=C(\C)C(=O)\C=C\CCC Amb28080094 [0,1,1,0,0,0|2,0,0]=4 714 B10R0.83 C\C=C\COC(=O)\C(C)=C\C Amb28326472 [0,1,1,0,0,0|1,0,1]=4 715 B10R0.72 CCC(CC(=O)C(=O)O)OC Amb33321255 [0,1,1,0,0,0|2,0,0]=4 716 B10R0.72 CCC(CC)CC(=O)C(=O)O Amb18182340 [0,1,1,0,0,0|1,0,1]=4 717 B10R0.72 CCC(CC)NC(=O)C(=O)O Amb9303798 [0,1,1,0,0,0|1,0,1]=4 718 B10R1.32 CCC1NC(=O)C=C1OC Amb27881299 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.32 CCC1OC(=O)CC1CO Amb27220576 [1,1,0,0,0,0|0,0,2]=4 720 B10R1.32 CCC1OC(=O)NC1CCl Amb27640746 [1,1,0,0,0,0|1,0,1]=4 721 B10R1.32 CC[C@@H]1OC(=O)C[C@H]1CO Amb27794544 [1,1,0,0,0,0|0,0,2]=4 722 B10R1.32 CC[C@H]1OC(=O)N[C@H]1CO Amb27849872 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.32 CCc1oc(N)cc1SC Amb18669952 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.32 COC1=CC(=O)NC1OC Amb27857139 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.32 COC1=CC(=O)OC1OC Amb27838885 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.32 COC1OC(=O)C=C1C=O Amb24417777 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.33 CCC1OS(=O)(=O)C=C1N Amb24601793 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.35 CCc1oc(C=O)cc1C Amb18832234 [1,1,0,0,0,0|0,0,1]=3 729 B10R1.35 CCc1sc(C=O)cc1C Amb18143558 [1,1,0,0,0,0|0,1,1]=4 730 B10R1.35 CCn1cc(C=O)cc1C Amb10788626 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.59 CC(Br)C1OC(=O)CC1C Amb27247655 [1,1,0,0,0,0|0,0,2]=4 732 B10R1.59 CC(C)C1NC(=O)C=C1O Amb27249688 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.59 CC(C)C1OC(=O)N=C1N Amb27397393 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.59 CC(C)C1OC(=O)NC1=O Amb24346671 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.59 CC(C)[C@H]1NC(=O)C=C1O Amb27874010 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.59 CC1=CC(=O)NN1C(C)C Amb26400432 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.59 CC1=CC(=O)OC1C(C)O Amb28125910 [1,1,0,0,0,0|0,0,0]=2 738 B10R1.59 C[C@H](Br)[C@@H]1OC(=O)C[C@@H]1C Amb28288320 [1,1,0,0,0,0|0,0,2]=4 739 B10R1.59 Cc1cc(Br)oc1C(C)N Amb33451910 [1,1,0,0,0,0|1,0,1]=4 740 B10R1.59 Cc1cc(Br)oc1[C@@H](C)N Amb33451211 [1,1,0,0,0,0|1,0,1]=4 741 B10R1.59 Cc1cc(Br)oc1[C@@H](C)O Amb33451213 [1,1,0,0,0,0|1,0,1]=4 742 B10R1.59 Cc1cc(Br)oc1[C@H](C)N Amb33451212 [1,1,0,0,0,0|1,0,1]=4 743 B10R1.59 Cc1cc(Br)oc1[C@H](C)O Amb33451190 [1,1,0,0,0,0|1,0,1]=4 744 B10R1.130 CC1=C(CCN)OC(=O)N1 Amb18202631 [1,1,0,0,0,0|1,0,1]=4 745 B10R1.130 CCOC1OC(=O)C=C1Br Amb19958367 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.130 CNCc1oc(Br)cc1C Amb33451208 [1,1,0,0,0,0|1,0,1]=4 747 B10R1.130 C[C@H]1CC(=O)O[C@H]1CCO Amb27805439 [1,1,0,0,0,0|0,0,2]=4 748 B10R1.130 Cc1cc(Br)oc1CCBr Amb33450781 [1,1,0,0,0,0|1,0,1]=4 749 B10R1.130 Cc1cc(Br)oc1CCN Amb33452150 [1,1,0,0,0,0|1,0,1]=4 750 B10R1.130 Cc1cc(Br)oc1CCO Amb33450694 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.130 Cc1cc(Br)oc1CCS Amb33387504 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.130 O=C1CC(=O)C(CCO)O1 Amb28202337 [1,1,0,0,0,0|1,0,1]=4 753 B10R1.256 C=C1C(=O)C=C(C)C1CC Amb27868938 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.444 CCC1OC(=O)NC1(C)C Amb28072937 [1,1,0,0,0,0|1,0,1]=4 755 B10R1.444 CC[C@H]1OC(=O)NC1(C)C Amb27977045 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.475 C=C1OC(=O)OC1(C)CC Amb1048132 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.475 CCC1(C)CC(=O)C=C1C Amb28199968 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.475 CCC1(C)N=C(C)C=C1C Amb25870330 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.475 CCC1(C)OC(=N)C=C1N Amb27412717 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.475 CCC1(C)OC(=O)N=C1N Amb27166438 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.475 CCC1(C)OC(=O)NC1=O Amb23515142 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.475 CCC1(C)OC(=O)NC1C Amb28456504 [1,1,0,0,0,0|1,0,1]=4 763 B10R1.475 COC1(C)NC(=O)C=C1C Amb27166010 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.58 C=C1CC(C(C)C)OC1=O Amb28049333 [1,1,0,0,0,0|1,0,1]=4 765 B10R1.58 C=C1C[C@@H]([C@@H](C)O)OC1=O Amb27428351 [1,1,0,0,0,0|1,0,1]=4 766 B10R1.58 C=C1C[C@H]([C@@H](C)O)OC1=O Amb28058886 [1,1,0,0,0,0|1,0,1]=4 767 B10R1.58 CC(C)C1C=C(F)C(=O)N1 Amb27816306 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.58 CC1=CC(C(C)Br)OC1=O Amb27602236 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.58 CC1=C[C@@H](C(C)C)CC1=O Amb28125705 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.58 C[C@@H](O)[C@H]1C[C@@H](O)C(=O)O1 Amb27427653 [1,1,0,0,0,0|0,0,2]=4 771 B10R1.58 C[C@H](O)[C@H]1C[C@H](O)C(=O)O1 Amb27219090 [1,1,0,0,0,0|0,0,2]=4 772 B10R1.131 C=CCC1C=C(O)C(=O)C1 Amb28324306 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.131 CCCC1CC(=O)C(=O)O1 Amb17593586 [1,1,0,0,0,0|0,0,2]=4 774 B10R1.131 CCC[C@@H]1C[C@H](O)C(=O)O1 Amb27448038 [1,1,0,0,0,0|0,0,2]=4 775 B10R1.131 CCOC1C=C(Cl)C(=O)O1 Amb27823371 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.244 CC[C@@]1(C)C=C(N)C(=O)O1 Amb27948174 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.191 CC1=C(C)C(C)C(Br)C1=O Amb27974074 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.191 CC1=C(C)C(C)C(C)C1=O Amb10070612 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.191 CC1=C(C)[C@@H](C)[C@H](C)C1=O Amb22232302 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.191 CC1=C(C)[C@H](C)[C@@H](C)C1=O Amb8517455 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.271 CC1(C)CC(=O)C(O)=C1Cl Amb27954206 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.271 CC1(C)CC(=O)C(O)=C1O Amb28323942 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.271 CC1(C)OC(=O)C(N)=C1O Amb27472962 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.271 CC1=C(C)C(C)(C)CC1=O Amb16191933 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.271 CC1=C(C)C(C)(C)NC1=O Amb27838042 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.271 CC1=C(C)C(C)(O)OC1=O Amb21926614 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.271 CC1=C(O)C(=O)C(C)(O)O1 Amb27617176 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.271 CC1=C(O)C(=O)CC1(C)C Amb2700428 [1,1,0,0,0,0|1,0,0]=3 789 B10R1.271 CC1C(O)C(=O)OC1(C)C Amb27615823 [1,1,0,0,0,0|0,0,2]=4 790 B10R1.271 C[C@@H]1[C@@H](O)C(=O)OC1(C)C Amb27968765 [1,1,0,0,0,0|0,0,2]=4 791 B10R1.271 C[C@@H]1[C@H](O)C(=O)OC1(C)C Amb28248748 [1,1,0,0,0,0|0,0,2]=4 792 B10R1.339 CC1OC(=O)C(O)C1(C)C Amb27461781 [1,1,0,0,0,0|0,0,2]=4 793 B10R1.236 CCC1(O)CC=C(O)C1=O Amb27261453 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.257 CCc1occ(N)c1SC Amb18678759 [1,1,0,0,0,0|1,0,1]=4 795 B10R1.258 CCC1=COC(CC)C1=O Amb28344960 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.258 CCC1CC=C(OC)C1=O Amb32680236 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.258 CCn1ncc(CO)c1C Amb1914078 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.44 CCC1=C(CC)C(=O)C1=O Amb27617180 [0,1,0,0,1,0|0,0,2]=4 799 B10R1.196 COC1(C)C(=O)C(Cl)=C1C Amb27198721 [0,1,0,0,1,0|2,0,0]=4 800 B12R1.14 CCC1=C(C)C(O)=C(C)C(=O)N1 Amb28341070 [0,1,0,0,0,1|1,0,1]=4 801 B12R1.14 CCC1OC(=O)C(C)C(=O)C1C Amb27954114 [0,1,0,0,0,1|0,0,2]=4 802 B12R1.14 CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@@H]1C Amb27262932 [0,1,0,0,0,1|0,0,2]=4 803 B12R1.14 CC[C@H]1OC(=O)C(C)[C@H](O)[C@H]1C Amb27859025 [0,1,0,0,0,1|0,0,2]=4 804 B12R1.14 CC[C@H]1OC(=O)[C@@H](C)[C@@H](O)[C@H]1C Amb27777239 [0,1,0,0,0,1|0,0,2]=4 805 B12R1.14 CC[C@H]1OC(=O)[C@@H](C)[C@H](O)[C@@H]1C Amb27252345 [0,1,0,0,0,1|0,0,2]=4 806 B12R1.14 CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H]1C Amb28351679 [0,1,0,0,0,1|0,0,2]=4 807 B12R1.511 C=C1C(O)CC(=O)OC1C(C)C Amb28138435 [0,1,0,0,0,1|0,0,2]=4 808 B12R1.511 CC(C)C1OC(=O)CC(O)C1C Amb27588959 [0,1,0,0,0,1|0,0,2]=4 809 B12R1.511 CC(C)[C@@H]1OC(=O)C[C@H](O)[C@H]1C Amb26389326 [0,1,0,0,0,1|0,0,2]=4 810 B12R1.511 CC(C)[C@H]1OC(=O)C[C@@H](O)[C@@H]1C Amb26892416 [0,1,0,0,0,1|0,0,2]=4 811 B12R1.511 CC(C)[C@H]1OC(=O)C[C@H](O)[C@@H]1C Amb27197615 [0,1,0,0,0,1|0,0,2]=4 812 B12R1.44 CCCC1CC(=O)C(C)=C(C)C1 Amb27177908 [0,1,0,0,0,1|2,0,0]=4 813 B12R1.44 CCOC1CC(C)C(O)C(=O)O1 Amb27631870 [0,1,0,0,0,1|0,0,2]=4 814 B12R1.1005 CC(=O)C1CC(C)=C(C)C(=O)O1 Amb27854297 [0,1,0,0,0,1|1,0,1]=4 815 B12R1.1005 CC1=C(C)C(=O)C[C@H](C(C)C)C1 Amb25299315 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.1005 CC1=CC(C(C)C)OC(=O)C1Cl Amb27389266 [0,1,0,0,0,1|1,0,1]=4 817 B12R1.544 CC1=C(O)C(=O)C=CN1CCN Amb18908731 [0,1,0,0,0,1|2,0,0]=4 818 B12R1.544 CC1=C(O)C(=O)C=CN1CCO Amb18043716 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.544 CCCN1C=CC(=O)C(O)=C1C Amb18545530 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.652 CCC1=C(O)C(=O)C=CN1CC Amb18043728 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.893 CC(C)C1COC(=O)C(=O)N1C Amb27646583 [0,1,0,0,0,1|1,0,1]=4 822 B12R1.893 CC(C)[C@H]1COC(=O)C(=O)N1C Amb25949996 [0,1,0,0,0,1|1,0,1]=4 823 B12R1.893 CC1=C(O)C(=O)C=CN1C(C)C Amb18043725 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.3860 CCC1(O)C=CC(=O)C(C)=C1C Amb27177790 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.362 C=C1O[C@H]([C@@H](C)CO)C([O-])=C1O Amb27621082 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.362 CC1=C(C)C(C(O)CO)OC1=O Amb27451100 [0,2,0,0,0,0|1,0,0]=3 827 B12R1.362 NCC(O)C1OC(=O)C(O)=C1O Amb25695447 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.362 NC[C@H](O)[C@H]1OC(=O)C(O)=C1O Amb28051999 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.362 NC[C@H](O)[C@H]1OC(=O)C(O)=C1O Amb32695415 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.362 O=C1C(O)=C(O)OC1[C@H](O)CO Amb27456726 [0,2,0,0,0,0|1,0,1]=4 831 B12R1.362 O=C1C(O)=C(O)O[C@H]1[C@@H](O)CO Amb27218651 [0,2,0,0,0,0|1,0,1]=4 832 B12R1.362 O=C1C(O)=C(O)O[C@H]1[C@H](O)CO Amb27775495 [0,2,0,0,0,0|1,0,1]=4 833 B12R1.362 O=C1CC(C(O)CO)C(O)=C1O Amb27178014 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.362 O=C1C[C@@H]([C@@H](O)CO)C(O)=C1O Amb27427780 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.362 O=C1C[C@@H]([C@H](O)CO)C(O)=C1O Amb28201038 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.362 O=C1C[C@H]([C@@H](O)CO)C(O)=C1O Amb27212468 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.362 O=C1N[C@@H]([C@H](O)CO)C(O)=C1O Amb27879615 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.362 O=C1OC(C(=O)CCl)C(O)=C1O Amb27614530 [0,2,0,0,0,0|1,0,1]=4 839 B12R1.362 O=C1OC(C(O)CBr)C(O)=C1O Amb32752788 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.362 O=C1OC(C(O)CF)C(O)=C1O Amb27604434 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.362 O=C1OC(C(O)CO)C(=O)C1=O Amb8385901 [0,2,0,0,0,0|1,0,1]=4 842 B12R1.362 O=C1OC(C(O)CO)C(O)=C1F Amb27604554 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.362 O=C1OC(C(O)CO)C(O)=C1O Amb6346617 [0,2,0,0,0,0|1,0,0]=3 844 B12R1.362 O=C1OC(C(O)CO)C([O-])=C1O Amb22051639 [0,2,0,0,0,0|1,0,0]=3 845 B12R1.362 O=C1OC(C(O)C[O-])C(O)=C1O Amb32666360 [0,2,0,0,0,0|1,0,0]=3 846 B12R1.362 O=C1OC([C@H](O)CO)C(O)=C1O Amb27651816 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.362 O=C1O[C@@H](C(O)CO)C(O)=C1O Amb19130578 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.362 O=C1O[C@@H](C(O)C[O-])C(O)=C1O Amb27394874 [0,2,0,0,0,0|1,0,0]=3 849 B12R1.362 O=C1O[C@@H]([C@@H](O)CO)C(=O)C1=O Amb27630534 [0,2,0,0,0,0|1,0,1]=4 850 B12R1.362 O=C1O[C@@H]([C@@H](O)CO)C(O)=C1O Amb17933822 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.362 O=C1O[C@@H]([C@H](O)CO)C(=O)C1=O Amb24621311 [0,2,0,0,0,0|1,0,1]=4 852 B12R1.362 O=C1O[C@@H]([C@H](O)CO)C(O)=C1O Amb5718490 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.362 O=C1O[C@@H]([C@H](O)CO)C(O)=C1[O-] Amb22799727 [0,2,0,0,0,0|1,0,1]=4 854 B12R1.362 O=C1O[C@@H]([C@H](O)CO)C([O-])=C1O Amb22748270 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.362 O=C1O[C@H](C(O)CO)C(=O)C1=O Amb6601212 [0,2,0,0,0,0|1,0,1]=4 856 B12R1.362 O=C1O[C@H]([C@@H](O)CBr)C(O)=C1O Amb32668524 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.362 O=C1O[C@H]([C@@H](O)CF)C(O)=C1O Amb27205199 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.362 O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O Amb3940770 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.362 O=C1O[C@H]([C@@H](O)CO)C(=O)[C-]1O Amb27215836 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.362 O=C1O[C@H]([C@@H](O)CO)C(O)=C1O Amb3940929 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.362 O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O Amb8628581 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.362 O=C1O[C@H]([C@H](O)CO)C(O)=C1O Amb8514716 [0,2,0,0,0,0|1,0,0]=3 863 B12R1.362 O=C1SC(C(O)CO)C(O)=C1O Amb27978057 [0,2,0,0,0,0|1,1,0]=4 864 B12R1.362 O=C1S[C@@H]([C@H](O)CO)C(O)=C1O Amb27197505 [0,2,0,0,0,0|1,1,0]=4 865 B12R1.379 CC1=C(O)C(=O)OC1CCCO Amb28453461 [0,2,0,0,0,0|0,0,0]=2 866 B12R1.1145 CCCC1OC(=O)C(=O)C1CC Amb27802462 [0,2,0,0,0,0|0,0,2]=4 867 B12R1.1145 COC[C@@H]1OC(=O)[C@@H](O)[C@@H]1OC Amb27651858 [0,2,0,0,0,0|0,0,2]=4 868 B12R1.1145 COC[C@H]1OC(=O)[C@@H](O)[C@@H]1OC Amb27472536 [0,2,0,0,0,0|0,0,2]=4 869 B12R1.1276 CC1=C(C)C(CC(=O)O)OC1=O Amb27178213 [0,2,0,0,0,0|1,0,1]=4 870 B12R1.1276 CC1=C(C)C(CC(C)C)CC1=O Amb27859439 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.1276 CC1=C(C)[C@H](CC(=O)O)OC1=O Amb27196510 [0,2,0,0,0,0|1,0,1]=4 872 B12R1.1497 CCCC1(C)CC(=O)C(C)=C1C Amb27177855 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.3037 CC(C)C1OC(=O)C(=O)C1(C)C Amb27798479 [0,2,0,0,0,0|0,0,2]=4 874 B12R1.3037 CC(C)C1OC(=O)C(O)C1(C)C Amb27615567 [0,2,0,0,0,0|0,0,2]=4 875 B12R1.2518 COC1=C(C)C(=O)OC1(C)CO Amb28244376 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.2693 CC(=O)C1(O)OC(=O)C(C)=C1C Amb27160668 [0,2,0,0,0,0|1,0,1]=4 877 B12R1.2693 CC1=C(O)C(=O)C(C)(C(C)O)O1 Amb25866563 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.3839 CC[C@]1(C)C(C)=C(C)C(=O)[C@H]1C Amb27802603 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.766 CO[C@H]1[C@@H](O)C(=O)O[C@@H]1[C@H](C)O Amb27431393 [0,2,0,0,0,0|0,0,2]=4 880 B12R1.766 CO[C@H]1[C@H](O)C(=O)O[C@H]1[C@@H](C)O Amb27197967 [0,2,0,0,0,0|0,0,2]=4 881 B12R1.853 CC1=C(O)C(=O)CC1C(C)(C)C Amb27762532 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.1978 CCn1nc(C(C)=O)c(O)c1C Amb22498878 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.595 COC1=C(OC)C(OC)NC1=O Amb25373992 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.609 C\C=C1/OC(=O)C(O)=C1C(C)=O Amb27802662 [0,2,0,0,0,0|0,0,2]=4 885 B12R1.609 C\C=C1\OC(=O)C(O)=C1C(C)=O Amb28194614 [0,2,0,0,0,0|0,0,2]=4 886 B12R1.1979 CCC1NC(=O)\C(=C(\C)O)C1=O Amb28197131 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.1979 CCN1OC(=O)C(C(=O)O)=C1C Amb18563014 [0,2,0,0,0,0|1,0,0]=3 888 B10R1.22 CC1=C(C)C(=O)CC(C)C1 Amb28324281 [0,0,1,1,0,0|2,0,0]=4 889 B10R1.22 CC1=C(C)C(=O)NC(C)C1 Amb27815027 [0,0,1,1,0,0|2,0,0]=4 890 B10R1.22 CC1CC(=O)C(=O)C(=O)O1 Amb27768733 [0,0,1,1,0,0|1,0,1]=4 891 B10R1.23 C=C(C(=O)O)C1CCCC1 Amb18124595 [0,0,1,1,0,0|1,0,1]=4 892 B10R1.23 CC(C(=O)O)=C1CCCC1 Amb18643539 [0,0,1,1,0,0|1,0,0]=3 893 B10R1.23 C\C(C(=O)O)=C1\CCOC1 Amb28058244 [0,0,1,1,0,0|2,0,0]=4 894 B10R1.23 NC(=O)C(F)=C1CCCC1 Amb27467094 [0,0,1,1,0,0|2,0,0]=4 895 B10R1.23 O=C(O)C(=O)C1CCCC1 Amb18643845 [0,0,1,1,0,0|0,0,2]=4 896 B10R1.23 O=C(O)C(=O)N1CCCC1 Amb2693953 [0,0,1,1,0,0|1,0,1]=4 897 B10R1.23 O=C(O)C(F)=C1CCCC1 Amb20667820 [0,0,1,1,0,0|1,0,0]=3 898 B10R1.23 O=C(O)C(O)C1CCCC1 Amb18958313 [0,0,1,1,0,0|0,0,2]=4 899 B10R1.23 O=C(O)[C@H](O)C1CCCC1 Amb27494022 [0,0,1,1,0,0|0,0,2]=4 900 B10R1.23 O=C(O)\C(F)=C1/CCOC1 Amb27852318 [0,0,1,1,0,0|2,0,0]=4 901 B10R1.61 CC(=O)C1=C(C)CCCN1 Amb26968313 [0,0,1,1,0,0|2,0,0]=4 902 B10R1.61 CC1=C(C(=O)Cl)OCCO1 Amb27770394 [0,0,1,1,0,0|2,0,0]=4 903 B10R1.61 CC1=C(C(=O)O)CCCC1 Amb18643592 [0,0,1,1,0,0|1,0,0]=3 904 B10R1.61 CC1=C(C(=O)O)CCCO1 Amb2782915 [0,0,1,1,0,0|2,0,0]=4 905 B10R1.61 CC1=C(C(=O)O)CCCS1 Amb27637653 [0,0,1,1,0,0|2,0,0]=4 906 B10R1.61 CC1=C(C(=O)O)OCCO1 Amb10607351 [0,0,1,1,0,0|1,0,0]=3 907 B10R1.61 CC1=C(C(=O)O)SCCO1 Amb3430020 [0,0,1,1,0,0|1,1,0]=4 908 B10R1.61 CC1CCCC=C1C(=O)O Amb22407010 [0,0,1,1,0,0|1,0,1]=4 909 B10R1.61 O=C(O)C1=C(Br)CCCC1 Amb18130945 [0,0,1,1,0,0|2,0,0]=4 910 B10R1.61 O=C(O)C1=C(Cl)CCCC1 Amb1157859 [0,0,1,1,0,0|2,0,0]=4 911 B10R1.81 CC(C(=O)O)=C1CC(C)C1 Amb28280536 [0,0,1,1,0,0|1,0,0]=3 912 B10R1.81 CC1CC(C(O)C(=O)O)C1 Amb28194701 [0,0,1,1,0,0|0,0,2]=4 913 B10R1.81 CC1CN(C(=O)C(=O)O)C1 Amb35623129 [0,0,1,1,0,0|1,0,1]=4 914 B10R1.275 O=C1CCCCC(O)=C1O Amb27598871 [0,0,1,1,0,0|2,0,0]=4 915 B10R1.278 C[C@@H](C1CC1)[C@@H](O)C(=O)O Amb27882738 [0,0,1,1,0,0|0,0,2]=4 916 B10R1.278 C\C(=C(\F)C(=O)O)C1CC1 Amb25077125 [0,0,1,1,0,0|1,0,0]=3 917 B10R1.291 CN1CCC[C@@]1(O)C(=O)O Amb28061304 [0,0,1,1,0,0|1,0,1]=4 918 B10R1.7 CC1=CCCCCCC1=O Amb27951533 [0,0,1,1,0,0|2,0,0]=4 919 B10R1.7 O=C1CCCCCC=C1F Amb26624308 [0,0,1,1,0,0|2,0,0]=4 920 B10R1.7 O=C1CCCCCC=C1O Amb27250751 [0,0,1,1,0,0|1,0,0]=3 921 B10R1.19 C\C=C1\CCCCCC1=O Amb24698888 [0,0,1,1,0,0|2,0,0]=4 922 B10R1.30 C\C=C1/CC(C)CCC1=O Amb32649102 [0,0,1,1,0,0|2,0,0]=4 923 B10R1.176 CCC1CC=C(C)C(=O)C1 Amb27861254 [0,0,1,1,0,0|2,0,0]=4 924 B10R1.176 CC[C@@H]1CC=C(C)C(=O)C1 Amb27802792 [0,0,1,1,0,0|2,0,0]=4 925 B10R1.184 C\C=C(\C)C(=O)NC1CC1 Amb27237479 [0,0,1,1,0,0|2,0,0]=4 926 B10R1.412 C[C@@H](CO)[C@@H]1OC(=O)[C@H]1C Amb27662105 [0,0,1,1,0,0|0,0,2]=4 927 B10R2.2 Nc1cc2c(o1)CCC2 Amb18832955 [1,0,0,1,0,0|1,0,1]=4 928 B10R2.2 O=C1C=C2CCCC2C1 Amb3994463 [1,0,0,1,0,0|1,0,0]=3 929 B10R2.2 O=C1CC2CCCC2O1 Amb27641380 [1,0,0,1,0,0|0,0,2]=4 930 B10R2.2 O=C1NC2CCCC2O1 Amb22230750 [1,0,0,1,0,0|1,0,1]=4 931 B10R2.44 NC1=NC(=O)OC12CC2 Amb27956590 [1,0,0,1,0,0|2,0,0]=4 932 B10R2.44 O=C1NC(=O)C2(CC2)O1 Amb27166061 [1,0,0,1,0,0|2,0,0]=4 933 B10R2.296 CC1OC(=O)C2OC12C Amb25829450 [1,0,0,1,0,0|0,0,2]=4 934 B10R2.32 Nc1coc2c1CCC2 Amb18203340 [1,0,0,1,0,0|1,0,1]=4 935 B10R2.32 Oc1noc2c1CCC2 Amb32653802 [1,0,0,1,0,0|1,0,1]=4 936 B12R2.246 O=C1C=C(O)C2=C(CCC2)N1 Amb19958471 [0,0,0,1,0,1|1,0,1]=4 937 B12R2.18 C=C1C(=O)OC2CCCCC12 Amb25151663 [0,1,0,1,0,0|1,0,1]=4 938 B12R2.18 CC1=C2CCCCC2CC1=O Amb28381119 [0,1,0,1,0,0|2,0,0]=4 939 B12R2.18 CC1=C2CCCCC2NC1=O Amb24668153 [0,1,0,1,0,0|2,0,0]=4 940 B12R2.18 CC1=C2CCOCC2OC1=O Amb28058921 [0,1,0,1,0,0|1,0,0]=3 941 B12R2.18 O=C1OC2CCCCN2C1=O Amb27251555 [0,1,0,1,0,0|1,0,1]=4 942 B12R2.18 O=C1O[C@@H]2CCCC[C@@H]2[C@@H]1O Amb27197167 [0,1,0,1,0,0|0,0,2]=4 943 B12R2.213 O=C1OC2CC(O)CC2C1O Amb27456436 [0,1,0,1,0,0|0,0,2]=4 944 B12R2.213 O=C1O[C@@H]2C[C@H](O)C[C@@H]2[C@@H]1O Amb27422443 [0,1,0,1,0,0|0,0,2]=4 945 B12R2.2343 CC1=C(C)[C@@H]2CCC[C@@H]2C1=O Amb27881860 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.2343 CC1=C2CCC[C@@H]2[C@@H](C)C1=O Amb28054371 [0,1,0,1,0,0|2,0,0]=4 947 B12R2.5546 CC1=C(C)[C@H]2[C@H](C)[C@@]2(C)C1=O Amb27439984 [0,1,0,1,0,0|2,0,0]=4 948 B12R2.591 CC1=C2CC[C@@H](C)[C@@H]2CC1=O Amb24602879 [0,1,0,1,0,0|2,0,0]=4 949 B12R2.619 C=C1C(=O)OC2CC[C@H](O)[C@H]12 Amb28367493 [0,1,0,1,0,0|1,0,1]=4 950 B12R2.619 C=C1C(=O)O[C@@H]2CC[C@H](O)[C@H]12 Amb27211516 [0,1,0,1,0,0|1,0,1]=4 951 B12R2.619 CC1=C2C(C)CCC2CC1=O Amb27221800 [0,1,0,1,0,0|2,0,0]=4 952 B12R2.619 CC1=C2[C@@H](CC[C@H]2C)CC1=O Amb26585152 [0,1,0,1,0,0|2,0,0]=4 953 B12R2.72 N#CC1=C2CCCC2CC1=O Amb28322032 [0,1,0,1,0,0|2,0,0]=4 954 B12R2.72 O=C1OC2CCCC2\C1=C\O Amb27651646 [0,1,0,1,0,0|0,0,1]=3 955 B8R1.16 CCC1C(=O)C=C1O Amb28049018 [1,0,0,0,1,0|1,0,0]=3 956 B8R1.16 CCC1C(=O)NC1C Amb28128835 [1,0,0,0,1,0|1,0,1]=4 957 B8R1.46 C=C1C(=O)N[C@H]1CC Amb27251965 [1,0,0,0,1,0|1,0,1]=4 958 B8R1.46 CC[C@@H]1NC(=O)[C@H]1C Amb27188452 [1,0,0,0,1,0|1,0,1]=4 959 B8R1.25 CC1=C(C)C(C)C1=O Amb28201047 [1,0,0,0,1,0|1,0,0]=3 960 B8R1.25 CC1=C(O)C(C)C1=O Amb28316188 [1,0,0,0,1,0|2,0,0]=4 961 B8R1.25 CC1C(=O)C(=O)C1C Amb28461215 [1,0,0,0,1,0|0,0,2]=4 962 B8R1.25 Cc1c(O)c(=O)c1=O Amb8439679 [1,0,0,0,1,0|1,0,1]=4 963 B10R0.26 CCCC(C)CC(=O)C(=O)O Amb18126145 [0,0,1,0,0,1|0,0,2]=4 964 B10R0.26 CCCC(C)CC(O)C(=O)O Amb33353286 [0,0,1,0,0,1|0,0,2]=4 965 B10R0.26 CCS\C(C)=C\C(=O)C(=O)O Amb18647855 [0,0,1,0,0,1|1,0,1]=4 966 B10R0.32 CCCC(C)C(O)CC(=O)O Amb18797789 [0,0,1,0,0,1|0,0,2]=4 967 B10R0.32 CCCC(C)[C@@H](O)CC(=O)O Amb33319032 [0,0,1,0,0,1|0,0,2]=4 968 B10R0.32 CCCC(C)[C@H](O)CC(=O)O Amb33318872 [0,0,1,0,0,1|0,0,2]=4 969 B10R0.18 CCCOC(=O)NC(=O)NC Amb28436777 [0,0,1,0,0,1|1,0,1]=4 970 B10R0.18 CCCOC(=O)\C=C(\C)NC Amb27001301 [0,0,1,0,0,1|2,0,0]=4 971 B10R1.8 CC1=CC(=O)C[C@H](CO)O1 Amb27212027 [1,0,0,0,0,1|2,0,0]=4 972 B10R1.8 CC1=CC(=O)OC(CCl)=C1 Amb26967647 [1,0,0,0,0,1|1,0,1]=4 973 B10R1.8 CC1=CC(=O)OC(CO)C1 Amb27456612 [1,0,0,0,0,1|1,0,0]=3 974 B10R1.8 CC1=CC(=O)O[C@@H](CO)C1 Amb28050774 [1,0,0,0,0,1|1,0,0]=3 975 B10R1.8 CC1=CC(=O)O[C@H](CO)C1 Amb27978384 [1,0,0,0,0,1|1,0,0]=3 976 B10R1.8 CCC1=CC(C)=CC(=O)O1 Amb20247499 [1,0,0,0,0,1|0,0,1]=3 977 B10R1.8 CCC1CC(=O)C=C(N)C1 Amb27866443 [1,0,0,0,0,1|2,0,0]=4 978 B10R1.8 CCC1CC(=O)CC(=O)O1 Amb27954060 [1,0,0,0,0,1|1,0,1]=4 979 B10R1.8 CCC1N=C(C)CC(=O)N1 Amb32418264 [1,0,0,0,0,1|1,0,1]=4 980 B10R1.8 CCN1CC(=O)C=C(C)C1 Amb1091985 [1,0,0,0,0,1|2,0,0]=4 981 B10R1.8 CC[C@@H]1CC(=O)C=C(C)C1 Amb27424824 [1,0,0,0,0,1|1,0,0]=3 982 B10R1.25 CCN1CCC(=O)C=C1C Amb9781666 [1,0,0,0,0,1|2,0,0]=4 983 B10R1.25 COC1OCC(=O)C=C1C Amb27267097 [1,0,0,0,0,1|1,0,0]=3 984 B10R1.118 CC1NC(=O)C(=O)OC1C Amb4008698 [1,0,0,0,0,1|0,0,2]=4