0 B8R0.9 C=CC(N)CCC(=O)O M15322 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.9 CCC(C)OCC(=O)O P34749 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 NCC(=O)CCC(=O)O P37517 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 C#CCNCC(=O)O L20673 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 C#CCOCC(=O)O O29707 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.4 C=CCOCC(=O)O P39548 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.4 COCCCC(=O)O P39031 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.4 NCCNCC(=O)O O28634 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 NCCOCC(=O)O P35961 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 [N-]=[N+]=NCCC(=O)O 10071 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.6 CC(C)OCC(=O)O P38749 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.6 O=C(O)CCC(F)F S72753 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.7 CC(=O)N(C)CCC(=O)O P37224 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O O28917 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68967 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68970 [0,1,0,0,0,0|1,0,2]=4 16 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 Q52337 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.35 NC1CCC(C(=O)O)C1 G-7403 [0,0,0,1,0,0|0,0,2]=3 18 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 10009 [0,0,0,1,0,0|0,0,2]=3 19 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 F-4734 [0,0,0,1,0,0|0,0,2]=3 20 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 L21283 [0,0,0,1,0,0|0,0,2]=3 21 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 P39234 [0,0,0,1,0,0|1,0,1]=3 22 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 P40794 [0,0,0,1,0,0|1,0,1]=3 23 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 10164 [0,0,0,1,0,0|0,0,2]=3 24 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 P44640 [0,0,0,1,0,0|0,0,2]=3 25 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 L21252 [0,0,0,1,0,0|0,0,2]=3 26 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Q52275 [0,0,0,1,0,0|0,0,2]=3 27 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A-335 [0,0,0,1,0,0|1,0,1]=3 28 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Q61690 [0,0,0,1,0,0|1,0,1]=3 29 B9R1.35 O=C(O)C1CCC(F)C1 Q54410 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.35 O=C(O)C1C[C@H](O)CN1 A-345 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q61734 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q63412 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Q63408 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q61733 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q63414 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Q63410 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 A-341 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 G-6984 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 A-344 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 L21815 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 O30697 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 L22413 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.35 O=C(O)[C@H]1CC[C@@H](F)C1 Q63413 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 Q63409 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 Q63411 [0,0,0,1,0,0|1,0,2]=4 46 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Q63407 [0,0,0,1,0,0|1,0,2]=4 47 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063-01 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 L13532 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 G-7739 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P41300 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P44659 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.55 CN1CC(C(=O)O)C1=O P45627 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O P45721 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.55 N[C@H]1[C@@H](O)C[C@H]1C(=O)O P46166 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.84 O=C(O)CCC1CCC1 P34709 [0,0,0,1,0,0|1,0,2]=4 58 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,0,0,1,0,0|1,0,2]=4 59 B9R1.86 CCC1CC1CC(=O)O O32172 [0,0,0,1,0,0|1,0,2]=4 60 B9R1.95 CCC1CC(C(=O)O)C1 P45348 [0,0,0,1,0,0|1,0,2]=4 61 B9R1.95 CNC1CC(C(=O)O)C1 P48460 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.95 COC1CC(C(=O)O)C1 F-4385 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 G-7356 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 G-7357 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.95 N#CC1CC(C(=O)O)C1 P43789 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.95 NCC1CC(C(=O)O)C1 L14512 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.95 NCC1CC(C(=O)O)C1 P48866 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48252 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48255 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 P47233 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.95 O=C(O)C1CC(CBr)C1 P49897 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.95 O=C(O)C1CC(CF)C1 P47785 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.95 O=C(O)C1CC(CO)C1 D-2561 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 P47160 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 P47223 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.125 C[C@@]1(C=O)CCC(=O)N1 Q65047 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.147 CC1(CCC(=O)O)N=N1 O33992 [0,0,0,1,0,0|3,0,0]=4 78 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,0,0,0,1,0|0,0,2]=3 79 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,0,0,0,1,0|0,0,2]=3 80 B7R0.2 NCC(O)CC(=O)O P35068 [0,0,0,0,1,0|2,0,1]=4 81 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,0,0,0,1,0|1,0,1]=3 82 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,0,0,0,1,0|1,0,1]=3 83 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,0,0,0,1,0|1,0,1]=3 84 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,0,0,0,1,0|1,0,1]=3 85 B6R0.4 CCNCC(=O)O P37534 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.4 CNCCC(=O)O P36779 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.4 CNCCC(=O)O P39205 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.4 O=CNCC(=O)O P39379 [2,0,0,0,0,0|2,0,0]=4 89 B8R0.8 C=CCCC(N)C(=O)O P40793 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.8 C=CCCC(N)C(N)=O Q65911 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.5 C=CC[C@@H](N)CC(=O)O Q69101 [1,1,0,0,0,0|0,0,0]=2 95 B8R0.5 COCC(O)CC(=O)O F-4460 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.7 C#CCCCCC(=O)O P38906 [1,1,0,0,0,0|0,0,2]=4 97 B8R0.7 C#CCOCCC(=O)O O29692 [1,1,0,0,0,0|0,0,2]=4 98 B8R0.7 CNCCCCC(=O)O P35932 [1,1,0,0,0,0|0,0,2]=4 99 B8R0.7 NCCOCCC(=O)O P41214 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.7 [N-]=[N+]=NCCCC(=O)O 10015 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.23 C=C(C)CC(N)C(=O)O P39089 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.23 C=C(C)C[C@@H](N)C(=O)O O28738 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.23 C=C(C)C[C@H](N)C(=O)O O28733 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.23 CC(C)C(N)CC(=O)O M22680 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [1,1,0,0,0,0|1,0,1]=4 112 B10R0.43 O=C(O)CCC(F)(F)C(=O)O M23513 [0,2,0,0,0,0|2,0,0]=4 113 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O O28689 [0,2,0,0,0,0|1,0,0]=3 114 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O L22106 [0,2,0,0,0,0|1,0,0]=3 115 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Q68964 [0,2,0,0,0,0|0,0,1]=3 116 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Q68966 [0,2,0,0,0,0|0,0,1]=3 117 B8R1.1 C=CC1CCC(=O)C1 Q57034 [1,0,0,1,0,0|1,0,0]=3 118 B8R1.1 C=CC1COC(=O)C1 F-4407 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.1 O=C1CCC(CO)N1 M23573 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.3 CC1C=CC(=O)CC1 K12331 [1,0,0,1,0,0|1,0,0]=3 127 B8R1.3 NC1CCC(=O)CC1 P36686 [1,0,0,1,0,0|0,0,2]=4 128 B8R1.3 NC1CCC(=O)NC1 C-3401 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.4 O=C1CCCC(=O)C1 P44675 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.7 O=C(O)C1=COCC1 C-2964 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.7 O=C(O)C1CC=CC1 G-6381 [1,0,0,1,0,0|0,0,2]=4 134 B8R1.7 O=C(O)C1CCNC1 G-5249 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.7 O=C(O)C1CCOC1 C-3386 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.20 CC1CC1CC(=O)O O29360 [1,0,0,1,0,0|0,0,2]=4 146 B8R1.31 CC1CCC1C(=O)O P45629 [1,0,0,1,0,0|0,0,2]=4 147 B8R1.31 CN1CCC1C(=O)O P49637 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.31 NC1CCC1C(=O)O P47809 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [1,0,0,1,0,0|1,0,1]=4 157 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.31 O=C(O)C1CCC1F P47126 [1,0,0,1,0,0|1,0,1]=4 159 B8R1.31 O=C(O)C1CCC1O P49194 [1,0,0,1,0,0|1,0,1]=4 160 B8R1.31 O=C(O)C1CNC1=O P47917 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.31 O=C(O)[C@@H]1CNC1=O P46680 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.31 O=C(O)[C@H]1CNC1=O P46158 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.34 O=C(O)CC1CCC1 P44572 [1,0,0,1,0,0|0,0,2]=4 165 B8R1.34 O=C(O)CC1CCN1 P44826 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.34 O=C(O)CC1CCO1 F-4762 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.34 O=C(O)CC1CNC1 G-7532 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.34 O=C(O)CC1CNC1 M22650 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.34 O=C(O)CC1CNC1 P46867 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.34 O=C(O)CC1COC1 F-4181 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.35 O=C(O)CCC1CC1 P37405 [1,0,0,1,0,0|0,0,2]=4 174 B8R1.43 N#CC1CC1C(=O)O P43783 [1,0,0,1,0,0|1,0,1]=4 175 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O L14217 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O L22404 [1,0,0,1,0,0|1,0,1]=4 177 B8R1.43 NCC1CC1C(=O)O Q52566 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.23 C=C1CC(C(=O)O)C1 D-2502 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.23 CC1CC(C(=O)O)C1 L14063 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [1,0,0,1,0,0|1,0,1]=4 182 B8R1.23 NC(=O)C1CC(N)C1 P48836 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [1,0,0,1,0,0|0,0,1]=3 184 B8R1.23 NC1CC(C(=O)O)C1 P47808 [1,0,0,1,0,0|0,0,1]=3 185 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [1,0,0,1,0,0|0,0,1]=3 186 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [1,0,0,1,0,0|0,0,1]=3 187 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [1,0,0,1,0,0|0,0,1]=3 188 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [1,0,0,1,0,0|0,0,1]=3 189 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.23 O=C(O)C1CC(O)C1 A-876 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [1,0,0,1,0,0|1,0,1]=4 195 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.77 O=C(O)C1CC1(F)Cl P44593 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.77 O=C(O)C1CC1(F)F L14556 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.77 O=C(O)[C@@H]1CC1(F)F L14727 [1,0,0,1,0,0|2,0,0]=4 203 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 G-6712 [0,0,0,1,0,1|0,0,2]=4 204 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 I-9648 [0,0,0,1,0,1|0,0,2]=4 205 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 P44642 [0,0,0,1,0,1|0,0,2]=4 206 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 Q65361 [0,0,0,1,0,1|0,0,2]=4 207 B10R1.54 CC(=O)OC1C=CC(O)C1 Q56907 [0,0,0,1,0,1|2,0,0]=4 208 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](O)C1 Q55836 [0,0,0,1,0,1|2,0,0]=4 209 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 L13608 [0,0,0,1,0,1|2,0,0]=4 210 B10R1.54 CC(=O)O[C@H]1C=C[C@H](O)C1 Q52819 [0,0,0,1,0,1|2,0,0]=4 211 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 Q64028 [0,1,0,1,0,0|2,0,0]=4 212 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 Q64034 [0,1,0,1,0,0|2,0,0]=4 213 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@@H]1F Q64040 [0,1,0,1,0,0|2,0,0]=4 214 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@H]1F Q64039 [0,1,0,1,0,0|2,0,0]=4 215 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F P45752 [0,1,0,1,0,0|2,0,0]=4 216 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F Q64041 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.83 CC1(C)C(N)CC1C(=O)O F-4200 [0,1,0,1,0,0|0,0,2]=4 218 B10R1.83 CC1(C)C(N)CC1C(=O)O P44903 [0,1,0,1,0,0|0,0,2]=4 219 B10R1.83 CC1(C)[C@@H](C(=O)O)C[C@H]1N F-4202 [0,1,0,1,0,0|0,0,2]=4 220 B10R1.83 CC1(C)[C@@H](C(=O)O)C[C@H]1N P44828 [0,1,0,1,0,0|0,0,2]=4 221 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O F-4206 [0,1,0,1,0,0|0,0,2]=4 222 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O P43882 [0,1,0,1,0,0|0,0,2]=4 223 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O F-4201 [0,1,0,1,0,0|0,0,2]=4 224 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O P45042 [0,1,0,1,0,0|0,0,2]=4 225 B10R1.83 CC1(C)[C@H](N)C[C@H]1C(=O)O F-4205 [0,1,0,1,0,0|0,0,2]=4 226 B10R1.349 CC(=O)C1CC(C(=O)O)C1 P44908 [0,1,0,1,0,0|1,0,1]=4 227 B10R1.349 O=C(O)C1CC(C(=O)O)C1 H-8210 [0,1,0,1,0,0|2,0,0]=4 228 B10R1.349 O=C(O)[C@H]1C[C@@H](C(=O)O)C1 H-8211 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)C1 H-8212 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)N1 P49358 [0,1,0,1,0,0|1,0,0]=3 231 B10R1.470 C[C@]1(C(=O)O)CC[C@H](N)C1 Q57021 [0,1,0,1,0,0|0,0,2]=4 232 B10R1.25 CNC1CCC(=O)NC1=O L19485 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.119 CN1C(=O)CCC(N)C1=O Q53466 [0,1,0,1,0,0|2,0,0]=4 234 B10R1.169 C(=O)C1CC(C(=O)OC)C1 P47146 [0,1,0,1,0,0|2,0,0]=4 235 B10R1.169 C(=O)[C@H]1C[C@@H](C(=O)OC)C1 P48347 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.169 C(=O)[C@H]1C[C@H](C(=O)OC)C1 P48348 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.113 NC1CCCC(C(=O)O)C1 P44660 [0,1,0,1,0,0|0,0,2]=4 238 B10R1.113 NC1COCC(C(=O)O)C1 Q61512 [0,1,0,1,0,0|0,0,2]=4 239 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 10035 [0,1,0,1,0,0|0,0,2]=4 240 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 I-9369 [0,1,0,1,0,0|0,0,2]=4 241 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 P44816 [0,1,0,1,0,0|0,0,2]=4 242 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 L13283 [0,1,0,1,0,0|0,0,2]=4 243 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 P44485 [0,1,0,1,0,0|0,0,2]=4 244 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 10033 [0,1,0,1,0,0|0,0,2]=4 245 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 I-9281 [0,1,0,1,0,0|0,0,2]=4 246 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 I-9805 [0,1,0,1,0,0|0,0,2]=4 247 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P44486 [0,1,0,1,0,0|0,0,2]=4 248 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 I-9245 [0,1,0,1,0,0|0,0,2]=4 249 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P44237 [0,1,0,1,0,0|0,0,2]=4 250 B10R1.66 O=C(O)CCC1=CNC=N1 O30645 [0,1,0,1,0,0|0,0,2]=4 251 B10R1.66 O=C(O)CCC1=CNN=C1 Q60485 [0,1,0,1,0,0|1,0,1]=4 252 B10R1.66 O=C(O)CCC1=CSC=C1 P40765 [0,1,0,1,0,0|1,0,1]=4 253 B10R1.66 O=C(O)CCC1CCNC1 P35779 [0,1,0,1,0,0|0,0,2]=4 254 B10R1.66 O=C(O)CCN1C=CC=C1 P35344 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.66 O=C(O)CCN1C=CC=N1 P35313 [0,1,0,1,0,0|1,0,1]=4 256 B10R1.66 O=C(O)CCN1C=CN=C1 P40203 [0,1,0,1,0,0|1,0,1]=4 257 B10R1.66 O=C(O)CC[C@H]1CCCN1 Q59292 [0,1,0,1,0,0|0,0,2]=4 258 B10R1.237 C=C[C@@]1(C=O)CCC(=O)N1 Q62575 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.82 O=C(O)CCC1CC(=O)C1 L18052 [0,1,0,1,0,0|1,0,1]=4 260 B6R0.2 CC(O)CC(=O)O P38963 [1,0,0,0,1,0|1,0,1]=4 261 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,0,0,0,1,0|0,0,1]=3 262 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,0,0,0,1,0|0,0,1]=3 263 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,0,0,0,1,0|1,0,1]=4 264 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,0,0,0,1,0|0,0,1]=3 265 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,0,0,0,1,0|1,0,1]=4 266 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [0,0,0,0,2,0|1,0,0]=3 267 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [0,0,0,0,2,0|1,0,0]=3 268 B6R0.3 NCC(N)C(=O)O P37494 [0,0,0,0,2,0|1,0,1]=4 269 B6R0.3 NC[C@H](N)C(=O)O P40075 [0,0,0,0,2,0|1,0,1]=4