0 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O Q69205 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.39 CC(C)CC(CN)C(=O)O P43094 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69039 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69042 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69043 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69046 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O P38688 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.15 C=CCC(CC)C(=O)O Q69583 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.23 C=C(C)CC(N)C(=O)O P39089 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.23 C=C(C)C[C@@H](N)C(=O)O O28738 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.23 C=C(C)C[C@H](N)C(=O)O O28733 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.23 CC(=O)NC(=O)C(N)=O S86732 [1,0,0,0,0,0|1,1,1]=4 12 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl H-8722 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.23 COC[C@@H](NC(C)=O)C(=O)O F-4514 [0,1,0,0,0,0|0,1,0]=2 15 B10R0.23 COC[C@H](NC(C)=O)C(=O)O H-8852 [0,1,0,0,0,0|0,1,0]=2 16 B10R1.113 O=C1CC(C(=O)O)CCN1 G-5564 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.113 O=C1CCCC(C(=O)O)C1 P47766 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 P46177 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 Q64045 [0,0,0,1,0,0|1,0,0]=2 20 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 P46176 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 Q64046 [0,0,0,1,0,0|1,0,0]=2 22 B10R1.113 O=C1CCNC(C(=O)O)C1 Q55043 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.113 O=C1CCNC(C(=O)O)C1 S72456 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23516 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23534 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.113 O=C1CCOC(C(=O)O)C1 Q61442 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.351 CC(=O)NC1CSC1(C)C Q59000 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.359 CC1(C)CCC(C(=O)O)N1 Q61613 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.359 CC1(C)CCC(C(=O)O)N1 Q61614 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.361 CC(=O)N1CCC1C(=O)O O28252 [0,0,0,1,0,0|1,0,0]=2 31 B10R1.361 CC(C)N1CC[C@H]1C(=O)O L14216 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.361 NC(=O)C1CCC1C(=O)O P44845 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.361 O=C(O)C1CCC1C(=O)O O33301 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O L21503 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O H-8622 [0,0,0,1,0,0|3,0,0]=4 36 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69066 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69069 [0,0,0,0,1,0|2,0,1]=4 38 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69070 [0,0,0,0,1,0|2,0,1]=4 39 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69073 [0,0,0,0,1,0|2,0,1]=4 40 B7R0.5 CCNC(C)C(=O)O P36832 [2,0,0,0,0,0|0,0,1]=3 41 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [2,0,0,0,0,0|0,0,1]=3 42 B7R0.5 CCN[C@H](C)C(=O)O P35138 [2,0,0,0,0,0|0,0,1]=3 43 B7R0.15 CCC(NC)C(=O)O P42253 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.6 CC(C)=CCC(=O)O P43260 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.23 COC(=O)[C@@H](C)CC(=O)O Q69085 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.42 CC(NC(=O)CN)C(=O)O P35057 [1,1,0,0,0,0|0,0,0]=2 47 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Q69087 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.42 COC(=O)C[C@H](C)C(=O)O Q69083 [1,1,0,0,0,0|1,0,0]=3 49 B9R0.57 CC(NC(C)(C)C)C(=O)O L19939 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.57 CC(NS(C)(=O)=O)C(=O)O P35528 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O 10450 [1,1,0,0,0,0|2,0,0]=4 52 B11R0.236 CCC[C@H](NC(=O)CCl)C(=O)O P36568 [0,2,0,0,0,0|1,0,0]=3 53 B11R0.56 CCOC(=O)[C@H](CS)NC(C)=O O32426 [0,2,0,0,0,0|0,0,0]=2 54 B9R1.6 O=C(O)C1CCCSC1 G-5680 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.6 O=C(O)C1CNCCN1 G-6608 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.6 O=C(O)C1COCCN1 10206 [1,0,0,1,0,0|0,1,1]=4 57 B9R1.6 O=C(O)C1COCCN1 O28641 [1,0,0,1,0,0|0,1,1]=4 58 B9R1.6 O=C(O)C1CSCCN1 A-595 [1,0,0,1,0,0|0,0,1]=3 59 B9R1.6 O=C(O)C1CSCCN1 O31853 [1,0,0,1,0,0|0,0,1]=3 60 B9R1.6 O=C(O)[C@@H]1CNCCN1 G-6607 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.6 O=C(O)[C@@H]1CNCCN1 G-6939 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.6 O=C(O)[C@@H]1COCCN1 10205 [1,0,0,1,0,0|0,1,1]=4 63 B9R1.6 O=C(O)[C@@H]1COCCN1 B-1036 [1,0,0,1,0,0|0,1,1]=4 64 B9R1.6 O=C(O)[C@@H]1CSCCN1 A-596 [1,0,0,1,0,0|0,0,1]=3 65 B9R1.6 O=C(O)[C@H]1CNCCN1 G-6940 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.6 O=C(O)[C@H]1COCCN1 B-1037 [1,0,0,1,0,0|0,1,1]=4 67 B9R1.6 O=C(O)[C@H]1COCCN1 I-9498 [1,0,0,1,0,0|0,1,1]=4 68 B9R1.6 O=C(O)[C@H]1CSCCN1 A-597 [1,0,0,1,0,0|0,0,1]=3 69 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 O32949 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Q53020 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Q53019 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52436 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52437 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 O32956 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.35 O=C1CC(C(=O)O)CN1 L13527 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.35 O=C1CCC(C(=O)O)S1 I-9617 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 G-7802 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.35 O=C1C[C@H](C(=O)O)CN1 L14979 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 L19415 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.41 CC1CCNC1C(=O)O Q57359 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.41 CC1CCNC1C(=O)O Q57360 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.41 O=C(O)C1NCCC1F Q59330 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.41 O=C(O)C1NCC[C@@H]1O F-4332 [1,0,0,1,0,0|0,1,1]=4 87 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F Q64264 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O I-9988 [1,0,0,1,0,0|0,1,1]=4 89 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L14329 [1,0,0,1,0,0|0,1,1]=4 90 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L22341 [1,0,0,1,0,0|0,1,1]=4 91 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Q64265 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O F-4333 [1,0,0,1,0,0|0,1,1]=4 93 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O L13193 [1,0,0,1,0,0|0,1,1]=4 94 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Q54350 [1,0,0,1,0,0|0,1,1]=4 95 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64266 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64267 [1,0,0,1,0,0|1,0,1]=4 97 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O I-9959 [1,0,0,1,0,0|0,1,1]=4 98 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O L21735 [1,0,0,1,0,0|0,1,1]=4 99 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F Q64263 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O L22366 [1,0,0,1,0,0|0,1,1]=4 101 B9R1.96 CCN1CCC1C(=O)O P48309 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.96 CCN1CC[C@H]1C(=O)O L14215 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.2 O=C1CCCC(CO)N1 10055 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.152 C=C1CC(C)(C(=O)O)C1 L18189 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.152 CC1(C(=O)O)CC(=O)C1 G-7323 [1,0,0,1,0,0|1,0,0]=3 107 B9R1.152 O=C1CC(F)(C(=O)O)C1 P46018 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.161 NC(=O)C1CC1C(=O)O L22401 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Q70062 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O L14135 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O L14179 [1,0,0,1,0,0|2,0,0]=4 112 B11R1.157 O=C(O)CC1CCCC(=O)N1 Q57418 [0,0,0,1,0,1|1,0,0]=3 113 B11R1.166 CC1CC(=O)CCC1C(=O)O P49705 [0,0,0,1,0,1|2,0,0]=4 114 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O P45260 [0,0,0,1,0,1|2,0,0]=4 115 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O P45261 [0,0,0,1,0,1|2,0,0]=4 116 B11R1.175 CC(=O)N1CCC(C(=O)O)C1 O28161 [0,0,0,1,0,1|1,0,0]=3 117 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 Q61576 [0,0,0,1,0,1|2,0,0]=4 118 B11R1.74 O=C1CC(=O)OC(C(=O)O)C1 H-8800 [0,1,0,1,0,0|1,1,0]=4 119 B11R1.21 CN1CCC(C(=O)O)CC1=O C-2258 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.870 COC(=O)C1CCC1C(=O)O H-8627 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O P45772 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O G-7039 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.23 COC(=O)C1CCCC(=O)C1 P48838 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.23 COC(=O)C1COCC(=O)C1 O33028 [0,1,0,1,0,0|1,1,0]=4 125 B11R1.23 COC(=O)C1COCC(=O)N1 K12030 [0,1,0,1,0,0|0,1,0]=3 126 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 P46175 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 P49238 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.489 CC1(C)CC(=O)NC1C(=O)O Q62147 [0,1,0,1,0,0|1,0,0]=3 129 B11R2.208 O=C1CNC(=O)C2(CC2)N1 L18212 [0,0,0,2,0,0|2,0,0]=4 130 B11R2.530 [C@@H]12C(=O)CC[C@@H]1[C@H]2C(=O)O Q63964 [0,0,0,2,0,0|2,0,0]=4 131 B11R2.530 [C@@H]12CCC(=O)[C@@H]1[C@H]2C(=O)O Q63962 [0,0,0,2,0,0|2,0,0]=4 132 B11R2.530 [C@@H]12CCC(=O)[C@@H]1[C@H]2C(=O)O Q63963 [0,0,0,2,0,0|2,0,0]=4 133 B7R0.16 CC(C(=O)O)N(C)C P40714 [1,0,0,0,1,0|2,0,0]=4