0 B8R0.6 CNCCCC(=O)OC H-8710 [1,0,0,0,0,0|1,0,1]=3 1 B8R0.6 COC(=O)CCCCN P38983 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.9 COC(=O)CNC(C)=O P42621 [1,0,0,0,0,0|1,0,0]=2 3 B8R0.9 NCC(=O)CCC(=O)O P37517 [1,0,0,0,0,0|2,0,0]=3 4 B10R0.108 CCOC(=O)CCC(=O)CBr O30317 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.14 COC(=O)C1=CC(=O)CC1 O31344 [0,0,0,1,0,0|1,0,2]=4 6 B10R1.14 COC(=O)C1CCC(=O)C1 G-6549 [0,0,0,1,0,0|1,0,0]=2 7 B10R1.14 COC(=O)C1CCC(Br)C1 Q57113 [0,0,0,1,0,0|2,0,1]=4 8 B10R1.14 COC(=O)C1CCC(F)C1 Q56994 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.14 COC(=O)C1CCC(N)C1 Q52413 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.14 COC(=O)C1CCC(O)C1 Q52112 [0,0,0,1,0,0|1,0,2]=4 11 B10R1.14 COC(=O)C1CCN(C)C1 P38659 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.14 COC(=O)C1CNC(=O)C1 G-7599 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.14 COC(=O)C1COC(=O)N1 P34786 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 L13047 [0,0,0,1,0,0|1,0,0]=2 15 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 G-6978 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.14 COC(=O)[C@@H]1CC[C@@H](F)C1 Q52909 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 L18149 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 L22418 [0,0,0,1,0,0|1,0,2]=4 19 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 L13341 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 I-9853 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 Q56974 [0,0,0,1,0,0|1,0,2]=4 22 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 Q55618 [0,0,0,1,0,0|1,0,0]=2 23 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 P41669 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 L13046 [0,0,0,1,0,0|1,0,0]=2 25 B10R1.14 COC(=O)[C@H]1CC[C@@H](Br)C1 Q56993 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.14 COC(=O)[C@H]1CC[C@@H](F)C1 Q52908 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 K12005 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 Q56975 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 L21293 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 L21260 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.14 COC(=O)[C@H]1CNC(=O)C1 Q55617 [0,0,0,1,0,0|1,0,0]=2 32 B10R1.14 COC(=O)[C@H]1COC(=O)N1 10192 [0,0,0,1,0,0|1,0,0]=2 33 B10R1.151 COC(=O)CCC1CCC1 P47751 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.169 CN[C@H]1C[C@@H](C(=O)OC)C1 P46473 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.169 CN[C@H]1C[C@H](C(=O)OC)C1 P50282 [0,0,0,1,0,0|2,0,1]=4 36 B7R0.3 CC\C=C\C(=O)OC Q70108 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.3 CNCCC(=O)NC P37767 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.3 CNCCC(=O)OC P36826 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.4 COCCCC(=O)O P39031 [2,0,0,0,0,0|0,0,1]=3 40 B7R0.6 CC(C)=CCC(=O)O P43260 [2,0,0,0,0,0|1,0,1]=4 41 B9R0.8 CCCCC(N)C(=O)OC M23165 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O P38303 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.23 COC(=O)[C@@H](C)CC(=O)O Q69085 [1,1,0,0,0,0|0,0,0]=2 44 B9R0.23 COC(=O)[C@@H](O)CC(=O)O H-8313 [1,1,0,0,0,0|0,0,0]=2 45 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [1,1,0,0,0,0|1,0,1]=4 46 B9R0.23 COC(=O)[C@H](O)CC(=O)O H-8314 [1,1,0,0,0,0|0,0,0]=2 47 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Q69087 [1,1,0,0,0,0|0,0,0]=2 49 B9R0.42 COC(=O)C[C@H](C)C(=O)O Q69083 [1,1,0,0,0,0|0,0,0]=2 50 B9R0.42 COC(=O)C[C@H](N)C(C)C Q68995 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.48 NCCC(=O)NCC(=O)O P35725 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.27 CCC(=O)C(C)C(=O)OC P40525 [0,1,0,0,1,0|1,0,0]=3 53 B11R0.43 CCOC(=O)C(=O)CC(=O)CC P41682 [0,2,0,0,0,0|1,0,1]=4 54 B11R0.117 COC(=O)C(=O)CC(=O)C(C)C P39907 [0,2,0,0,0,0|1,0,1]=4 55 B9R1.1 COC1CCC(=O)CC1 P34719 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.11 COC(=O)C1CCNC1 G-5251 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.11 COC(=O)C1CCOC1 G-5350 [1,0,0,1,0,0|0,0,1]=3 58 B9R1.11 COC(=O)[C@@H]1CCNC1 G-5253 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.11 COC(=O)[C@@H]1CCNC1 L13624 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.11 COC(=O)[C@@H]1CCOC1 I-9185 [1,0,0,1,0,0|0,0,1]=3 61 B9R1.11 COC(=O)[C@H]1CCNC1 G-5252 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.11 COC(=O)[C@H]1CCNC1 G-6750 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.11 COC(=O)[C@H]1CCOC1 L18447 [1,0,0,1,0,0|0,0,1]=3 64 B9R1.79 COC(=O)CC1CCC1 O28770 [1,0,0,1,0,0|1,0,1]=4 65 B9R1.79 COC(=O)CC1CNC1 C-3312 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.79 COC(=O)CC1CNC1 C-3312-1 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.79 COC(=O)CC1CNC1 P34702 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.79 COC(=O)CC1COC1 G-5284 [1,0,0,1,0,0|0,0,1]=3 69 B9R1.81 COC(=O)C1CCN1C P45741 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.81 COC(=O)C1CNC1C L14496 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.81 COC(=O)[C@@H]1CN[C@H]1C P50301 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.132 COC1=C(Br)C(=O)CC1 Q53459 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.35 O=C1CC(C(=O)O)CN1 L13527 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [1,0,0,1,0,0|1,0,0]=3 75 B9R1.35 O=C1CCC(C(=O)O)S1 I-9617 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 G-7802 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.35 O=C1CNC(C(=O)O)C1 L14145 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.35 O=C1C[C@H](C(=O)O)CN1 L14979 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 L19415 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.82 C=C1CC(C(=O)OC)C1 I-9440 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.82 COC(=O)C1CC(=O)C1 C-2246 [1,0,0,1,0,0|0,0,0]=2 84 B9R1.82 COC(=O)C1CC(Br)C1 H-8052 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.82 COC(=O)C1CC(Cl)C1 G-6592 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.82 COC(=O)C1CC(F)C1 P47896 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.82 COC(=O)C1CC(N)C1 P49386 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.82 COC(=O)C1CC(N)C1 Q52519 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.82 COC(=O)C1CC(O)C1 A-434 [1,0,0,1,0,0|0,0,2]=4 90 B9R1.82 COC(=O)C1CC(O)C1 F-4098 [1,0,0,1,0,0|0,0,2]=4 91 B9R1.82 COC(=O)C1CC(O)C1 F-4099 [1,0,0,1,0,0|0,0,2]=4 92 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P47452 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.82 COC(=O)[C@H]1C[C@@H](F)C1 P50695 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 G-5199 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 G-7774 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.82 COC(=O)[C@H]1C[C@H](F)C1 P44032 [1,0,0,1,0,0|1,0,1]=4 97 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 G-5470 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P44094 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.84 O=C(O)CCC1CCO1 Q58424 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.95 COC1CC(C(=O)O)C1 F-4385 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 G-7356 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 G-7357 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.37 CC1C(=O)CC(=O)N1C O29270 [0,0,0,1,1,0|2,0,0]=4 104 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,0,0,1,1,0|2,0,0]=4 105 B11R1.22 CCC(=O)N1CCC(=O)CC1 P35127 [0,0,0,1,0,1|2,0,0]=4 106 B11R1.22 COC(=O)C1CCC(=O)CC1 M23164 [0,0,0,1,0,1|1,0,0]=3 107 B11R1.22 COC(=O)C1CCC(=O)NC1 C-3589 [0,0,0,1,0,1|1,0,0]=3 108 B11R1.22 COC(=O)C1CNC(=O)CN1 L20810 [0,0,0,1,0,1|1,0,0]=3 109 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 Q55620 [0,0,0,1,0,1|1,0,0]=3 110 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 Q55619 [0,0,0,1,0,1|1,0,0]=3 111 B11R1.851 COC(=O)[C@@H]1C[C@H]1C(=O)OC Q52542 [0,0,0,1,0,1|0,0,0]=2 112 B11R1.865 COC(=O)C1CCC(=O)N1C M23854 [0,0,0,1,0,1|1,0,0]=3 113 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C Q61706 [0,0,0,1,0,1|1,0,0]=3 114 B11R1.23 COC(=O)C1CCCC(=O)C1 P48838 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.23 COC(=O)C1CCNC(=O)C1 G-5565 [0,1,0,1,0,0|1,0,0]=3 116 B11R1.23 COC(=O)C1COCC(=O)C1 O33028 [0,1,0,1,0,0|0,0,0]=2 117 B11R1.23 COC(=O)C1COCC(=O)N1 K12030 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.23 COC(=O)C1COCC(F)C1 Q54621 [0,1,0,1,0,0|1,0,1]=4 119 B11R1.23 COC(=O)C1COCC(N)C1 Q61430 [0,1,0,1,0,0|1,0,1]=4 120 B11R1.23 COC(=O)C1COCC(O)C1 O33130 [0,1,0,1,0,0|0,0,2]=4 121 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 G-5855 [0,1,0,1,0,0|1,0,0]=3 122 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 P46175 [0,1,0,1,0,0|1,0,0]=3 123 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 P49238 [0,1,0,1,0,0|1,0,0]=3 124 B11R1.226 COC(=O)C1=NN(C)C(=O)C1 L19980 [0,1,0,1,0,0|1,0,1]=4 125 B11R1.226 COC(=O)[C@@H]1C[C@@H](O)C(=O)N1 Q57166 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.226 COC(=O)[C@@H]1C[C@H](O)C(=O)N1 Q57167 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.885 COC(=O)C1(C)CCC(=O)C1 O33210 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.854 COC(=O)C1CC(=O)C1(C)C I-9545 [0,1,0,1,0,0|1,0,0]=3 129 B11R1.15 CCOC(=O)C1CCC(=O)C1 I-9443 [0,1,0,1,0,0|1,0,0]=3 130 B11R1.15 CCOC(=O)N1CCC(=O)C1 G-6360 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.427 COC(=O)C1CC(=O)C1CO P46890 [0,1,0,1,0,0|1,0,0]=3 132 B7R0.2 CCC(=O)CC(=O)O P43007 [1,0,0,0,1,0|1,0,0]=3 133 B7R0.2 CCC(=O)CC(C)=O O31794 [1,0,0,0,1,0|1,0,0]=3 134 B7R0.2 CNC(=O)CC(=O)O P38150 [1,0,0,0,1,0|1,0,0]=3 135 B7R0.2 COC(=O)CC(C)N P41489 [1,0,0,0,1,0|1,0,1]=4 136 B7R0.2 COC(=O)CN(C)C P36457 [1,0,0,0,1,0|2,0,0]=4 137 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,0,0,0,1,0|1,0,1]=4 138 B7R0.2 COC(=O)C[N+](=O)[O-] P45896 [1,0,0,0,1,0|1,0,1]=4