0 B9R0.23 CC(C)C[C@@H](N)C(OC)=O AK-49948 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.23 CN(CC(C(CC)=O)C)C AK-35427 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.23 C[C@@H](NC(C)=O)C(OC)=O AK-80485 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.23 C[C@H](NC(C)=O)C(OC)=O AK-80482 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.23 ClCC([C@@H](N)CC(C)C)=O AK-89151 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.23 N[C@@H](CC(C)C)C(OC)=O AK-47588 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.23 O=C(O)CC(N)C(OC)=O AK162672 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.23 O=C(O)C[C@H](N)C(OC)=O AK-41500 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.3 C=CCC(N)C(OC)=O AK164017 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.9 O=S(CCC(OC)=O)[O-] AK115883 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [1,0,0,0,0,0|0,0,0]=1 14 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [1,0,0,0,0,0|0,0,0]=1 17 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.23 O=C(O)[C@@H](O)CC(O)=O AK-77850 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.23 O=C(O)[C@H](O)CC(O)=O AK-88657 [1,0,0,0,0,0|2,0,1]=4 22 B10R0.32 CC(C)CC(N)C(OCC)=O AK153054 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC AK-49643 [0,1,0,0,0,0|1,0,0]=2 24 B10R0.46 C([C@@H](O)CC(=O)OC)(=O)OC AK-50385 [0,1,0,0,0,0|1,0,1]=3 25 B10R0.46 N[C@@H](CC(OC)=O)C(OC)=O AK-41631 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.46 O=C(OC)C(N)CC(OC)=O AK170024 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.46 O=C(OC)[C@H](Br)CC(OC)=O AK-43703 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.46 O=C(OC)[C@H](N)CC(OC)=O AK-50044 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.54 CC[C@@H](NC(C)C)C(OC)=O AK545576 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.14 O=C(C1CC(CC1)=O)OC AK-39983 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.14 O=C(C1CC(N)CC1)OC AK144646 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.14 O=C([C@@H]1C[C@@H](N)CC1)OC AK173650 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.14 O=C([C@@H]1C[C@H](N)CC1)OC AK185405 [0,0,0,1,0,0|2,0,0]=3 34 B10R1.14 O=C([C@@H]1NC[C@@H](O)C1)OC AK-78648 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.14 O=C([C@@H]1NC[C@H](O)C1)OC AK-51059 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.14 O=C([C@H]1NC[C@@H](O)C1)OC AK-42167 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.14 O=C([C@H]1NC[C@H](O)C1)OC AK-46722 [0,0,0,1,0,0|2,0,0]=3 38 B8R0.2 CC(C(C(OC)=O)N)C AK-41529 [0,0,0,0,1,0|1,0,0]=2 39 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [0,0,0,0,1,0|2,0,1]=4 40 B8R0.2 CC(C)C(N)C(OC)=O AK133088 [0,0,0,0,1,0|1,0,0]=2 41 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [0,0,0,0,1,0|0,0,0]=1 42 B8R0.2 CC(O)C(N)C(OC)=O AK-77084 [0,0,0,0,1,0|2,0,0]=3 43 B8R0.2 C[C@@H](O)[C@@H](N)C(OC)=O AK162652 [0,0,0,0,1,0|2,0,0]=3 44 B8R0.2 C[C@H](O)[C@H](N)C(OC)=O AK-90375 [0,0,0,0,1,0|2,0,0]=3 45 B8R0.2 N[C@@H](C(C)C)C(OC)=O AK-47574 [0,0,0,0,1,0|1,0,0]=2 46 B8R0.2 N[C@@H]([C@H](O)C)C(OC)=O AK-49761 [0,0,0,0,1,0|2,0,0]=3 47 B10R0.44 CC(C)CC(CC(OC)=O)=O AK153459 [0,0,0,0,0,1|0,0,2]=3 48 B7R0.3 CCCCC(NN)=O AK114657 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.3 O=C(OC)CCCBr AK-94853 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.3 O=C(OC)CCNC AK-85857 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [2,0,0,0,0,0|0,0,0]=2 53 B7R0.5 COCC(N)C(O)=O AK-87739 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.5 NC(CCO)C(O)=O AK-41514 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.5 O=C(O)C(N)CCN AK-44002 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.5 O=C(O)C(O)CCN AK-75839 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.7 C(OC)C(O)COC AK-46679 [2,0,0,0,0,0|1,0,1]=4 68 B7R0.10 CCC(N)C(OC)=O AK115477 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.10 COC(O)C(=O)OC AK-33946 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.10 O=C(OC)C(Br)CO AK142725 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.10 O=C(OC)C(N)CO AK-44174 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [2,0,0,0,0,0|1,0,1]=4 85 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [2,0,0,0,0,0|1,0,1]=4 86 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [2,0,0,0,0,0|1,0,1]=4 87 B7R0.6 CC(NNC(C)C)=O AK118752 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.6 C[S+](CCC(O)=O)C AK114711 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.6 O=C(O)CCN(C)C AK-33348 [2,0,0,0,0,0|1,0,0]=3 90 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [1,1,0,0,0,0|1,0,0]=3 91 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [1,1,0,0,0,0|1,0,0]=3 92 B9R0.27 N[C@@H]([C@@H](C)CC)C(OC)=O AK-41506 [1,1,0,0,0,0|1,0,0]=3 93 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [1,1,0,0,0,0|0,0,2]=4 94 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [1,1,0,0,0,0|1,0,0]=3 95 B9R0.53 CC(C)CC(O)CC(C)C AK114199 [1,1,0,0,0,0|1,0,1]=4 96 B9R0.21 O=C(OC)CCC(Cl)(Cl)Cl AK468036 [1,1,0,0,0,0|2,0,0]=4 97 B9R0.24 COC(=O)CCC(=O)CN AK-79197 [1,1,0,0,0,0|1,0,1]=4 98 B9R0.42 CC(C(CC(=O)OC)=O)C AK-46521 [1,1,0,0,0,0|0,0,1]=3 99 B9R0.42 CCC(OC(Cl)C(C)C)=O AK-80455 [1,1,0,0,0,0|2,0,0]=4 100 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.11 CC(C)C[C@@](C)(N)C(O)=O AK167463 [1,1,0,0,0,0|1,0,0]=3 102 B9R0.39 CC(C)C[C@@H](CN)C(O)=O AK119214 [1,1,0,0,0,0|1,0,0]=3 103 B9R0.39 CC(C)C[C@H](CN)C(O)=O AK119217 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.39 CC(C)C[C@H](NC)C(O)=O AK107655 [1,1,0,0,0,0|1,0,0]=3 105 B9R0.57 CC(C)(C)C[C@@H](N)C(O)=O AK130118 [1,1,0,0,0,0|1,0,0]=3 106 B9R0.57 CC(C)(F)C[C@H](N)C(O)=O AK314940 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.79 CC(C)[C@H](O)[C@H](N)C(O)=O AK122524 [1,1,0,0,0,0|1,0,0]=3 108 B9R0.25 COC([C@@H](N)C(C)(C)C)=O AK-46685 [0,1,0,0,1,0|1,0,0]=3 109 B9R0.29 COC(C(C)=O)C(=O)OC AK100701 [0,1,0,0,1,0|1,0,1]=4 110 B9R0.29 [C@H](NC)(C(C)C)C(=O)OC AK-88957 [0,1,0,0,1,0|1,0,0]=3 111 B11R0.110 O=C(OC)CC(O)CC(OC)=O AK-81749 [0,1,0,0,0,1|1,0,1]=4 112 B11R0.290 O=C(OC)[C@@H](N)COC(C)(C)C AK-45261 [0,1,0,0,0,1|1,0,0]=3 113 B11R0.290 [C@@H](N)(COC(C)(C)C)C(=O)OC AK-46015 [0,1,0,0,0,1|1,0,0]=3 114 B11R0.66 O=C(OC)[C@H](O)[C@H](O)C(OC)=O AK-57672 [0,2,0,0,0,0|1,0,1]=4 115 B9R1.3 O=C1N(C)CCC[C@@H]1N AK101587 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.5 O=C1NCCCCC1N AK-77858 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.11 COC(=O)[C@H]1CCCN1 AK-81261 [1,0,0,1,0,0|1,0,0]=3 121 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [1,0,0,1,0,0|1,0,1]=4 122 B9R1.11 O=C(C1CNCC1)OC AK-72873 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.11 O=C(C1COCC1)OC AK137950 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.11 O=C(C1NCCC1)OC AK-81380 [1,0,0,1,0,0|1,0,0]=3 125 B9R1.11 O=C(OC)[C@H]1NCCC1 AK-46611 [1,0,0,1,0,0|1,0,0]=3 126 B9R1.11 O=C([C@@H]1CNCC1)OC AK-65093 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.11 O=C([C@H]1CNCC1)OC AK-77335 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.82 COC(=O)C1CC(Cl)C1 AK-87277 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.82 O=C(C1CC(O)C1)OC AK-64949 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC AK129632 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC AK155438 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC AK137942 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.101 O=C(OC)C(N)C1CC1 AK142881 [1,0,0,1,0,0|1,0,0]=3 134 B9R1.101 O=C(OC)[C@@H](N)C1CC1 AK173986 [1,0,0,1,0,0|1,0,0]=3 135 B9R1.186 COC(=O)C1(N)CCC1 AK-34107 [1,0,0,1,0,0|1,0,0]=3 136 B9R1.186 O=C(C1(C)COC1)OC AK119025 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.186 O=C(C1(N)CCC1)OC AK-77069 [1,0,0,1,0,0|1,0,0]=3 138 B9R1.34 CC1CC(C)CC(O)C1 AK103636 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.10 C1(CCC(CC1)=O)(C)C AK-32039 [1,0,0,1,0,0|1,0,0]=3 140 B9R1.10 O=C1C=CC(C)(C)CC1 AK-49233 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.10 O=C1NCC(C)(O)CC1 AK151491 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.35 O=C1OC[C@@H](C(C)C)N1 AK-36974 [1,0,0,1,0,0|1,0,0]=3 143 B9R1.35 O=C1OC[C@H](C(C)C)N1 AK-33649 [1,0,0,1,0,0|1,0,0]=3 144 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [1,0,0,1,0,0|1,0,0]=3 146 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [1,0,0,1,0,0|1,0,0]=3 147 B9R1.164 CC1(C)CC(C1)C(O)=O AK-74159 [1,0,0,1,0,0|1,0,0]=3 148 B11R1.22 O=C(C1CCN(C)CC1)OC AK-63407 [0,0,0,1,0,1|2,0,0]=4 149 B11R1.22 O=C(C1CNC(C)CC1)OC AK103663 [0,0,0,1,0,1|1,0,0]=3 150 B11R1.22 O=C([C@H]1CC[C@@H](N)CC1)OC AK156429 [0,0,0,1,0,1|2,0,0]=4 151 B11R1.22 O=C([C@H]1CC[C@H](N)CC1)OC AK-41933 [0,0,0,1,0,1|2,0,0]=4 152 B11R1.22 O=C([C@H]1CC[C@H](N)CC1)OC AK515712 [0,0,0,1,0,1|2,0,0]=4 153 B11R1.22 O=C([C@H]1CC[C@H](O)CC1)OC AK161903 [0,0,0,1,0,1|2,0,0]=4 154 B11R1.866 O=C([C@@H]1OC(C)(C)OC1)OC AK-31632 [0,0,0,1,0,1|0,0,0]=2 155 B11R1.866 O=C([C@H]1OC(C)(C)OC1)OC AK-39057 [0,0,0,1,0,1|0,0,0]=2 156 B11R1.1361 CC1CC(C)(C)CC(=O)C1=O AK109604 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.645 O=C1NC(CC(C)C)C(O1)=O AK-83593 [0,1,0,1,0,0|1,0,1]=4 158 B11R1.645 O=C1N[C@@H](CC(C)C)C(O1)=O AK111182 [0,1,0,1,0,0|1,0,1]=4 159 B11R1.23 O=C(C1CN(C)CCC1)OC AK-28582 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.221 O=C1C(C)(C)NC(C)(C)CO1 AK129098 [0,1,0,1,0,0|2,0,0]=4 161 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [1,0,0,0,1,0|0,0,2]=4 162 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [1,0,0,0,1,0|1,0,0]=3 163 B7R0.16 CC(C)C(O)C(O)=O AK140040 [1,0,0,0,1,0|0,0,0]=2 164 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [1,0,0,0,1,0|1,0,0]=3 165 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [1,0,0,0,1,0|0,0,0]=2 166 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [1,0,0,0,1,0|2,0,0]=4 167 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [1,0,0,0,1,0|2,0,0]=4 168 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [1,0,0,0,1,0|2,0,0]=4 169 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [1,0,0,0,1,0|2,0,0]=4 170 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [1,0,0,0,1,0|2,0,0]=4 171 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [1,0,0,0,1,0|2,0,0]=4 172 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [1,0,0,0,1,0|2,0,0]=4 173 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [1,0,0,0,1,0|2,0,0]=4 174 B9R0.1 C=C(C)CCCC(OC)=O AK550726 [1,0,0,0,0,1|0,0,2]=4