0 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.2 CCC(N)CC(O)=O AK-45971 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.5 CCOC(=O)C(N)=O AK-45440 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.5 COCC(N)C(O)=O AK-87739 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.5 NC(CCO)C(O)=O AK-41514 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 O=C(O)C(N)CCN AK-44002 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.5 O=C(O)C(O)CCN AK-75839 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 O=C(OCC)C(N)=S AK-45462 [1,0,0,0,0,0|2,1,0]=4 25 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.10 CCC(N)C(OC)=O AK115477 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [1,0,0,0,0,0|3,0,0]=4 32 B7R0.10 N[C@@H]([C@@H](C)CC)CO AK-47506 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [1,0,0,0,0,0|0,0,0]=1 37 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [1,0,0,0,0,0|0,0,1]=2 38 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.16 CC(C)C(O)C(O)=O AK140040 [1,0,0,0,0,0|0,0,2]=3 40 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [1,0,0,0,0,0|0,0,2]=3 42 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.27 N[C@@H]([C@@H](C)CC)C(OC)=O AK-41506 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.79 CC(C)[C@H](O)[C@H](N)C(O)=O AK122524 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.41 CN1CCC[C@H]1C(=O)O AK-46644 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.41 O=C(C1N(C)CCC1)O AK125185 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.41 O=C(C1N(C)CCC1)O AK543096 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.41 O=C([C@@H]1N(C)CCC1)O AK165548 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.41 O=C([C@H]1N(C)CCC1)O AK-50484 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.41 O=C([C@H]1NCC[C@H]1O)O AK135074 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [0,0,0,1,0,0|1,0,1]=3 61 B9R0.42 O=C(O)C(CC(OC)=O)=O AK159593 [0,0,0,0,0,1|2,0,1]=4 62 B6R0.1 CCCC(NN)=O AK-95909 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.1 O=C(OCC)CO AK-98662 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.2 C(C(=O)O)N(C)C AK-41194 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.2 CC(NC(C)C)=O AK-86542 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [2,0,0,0,0,0|0,0,1]=3 72 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.4 NC(OCCC)=O AK116320 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.4 O=C(O)CCCCl AK113749 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.4 O=C(O)CCCN AK-43987 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.4 O=C(O)CCNC AK155866 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.3 C(C(C(O)=O)N)O AK-46543 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.3 C(C(N)C(O)=O)C AK-46591 [2,0,0,0,0,0|1,0,0]=3 81 B6R0.3 C(S)C(N)C(O)=O AK-73021 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.3 CC(C#N)C(O)=O AK544214 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.3 CC(C)\C(N)=N\O AK117017 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.3 CC(N(CC)C)=O AK149250 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.3 CCC(=O)C(O)=O AK-48379 [2,0,0,0,0,0|0,0,0]=2 86 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [2,0,0,0,0,0|0,0,0]=2 87 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.3 COC(C)C(O)=O AK-49797 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.3 C[C@H](NC)C(O)=O AK134597 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.3 C[C@H](OC)C(O)=O AK167072 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.3 C\C=C(O)\C(O)=O AK149482 [2,0,0,0,0,0|0,0,2]=4 96 B6R0.3 NC(CO)C(O)=O AK-41368 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.3 O=C(O)C(C)CBr AK116257 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.3 O=C(O)C(N)CN AK-44800 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.3 O=C(O)C(O)CO AK114312 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.3 O=C(O)[C@H](N)CS AK175126 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.3 O=C([O-])C(OC)=O AK670985 [2,0,0,0,0,0|1,0,1]=4 111 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [1,1,0,0,0,0|1,0,1]=4 112 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O AK-23909 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.3 C(OC(C(=NO)Cl)=O)C AK-23903 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.3 O=C(OCC)C(NN)=O AK-65253 [1,1,0,0,0,0|2,0,0]=4 125 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.8 NC(CCSC)C(O)=O AK-81252 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.18 CC(C)[C@@H](C(O)=O)NC AK509708 [1,1,0,0,0,0|1,0,1]=4 133 B8R0.18 CC(C)[C@@H](CN)C(O)=O AK119228 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.18 CC(C)[C@@H](NC)C(O)=O AK-89028 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.18 CC(C)[C@H](CN)C(O)=O AK119232 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.27 CC(C)(C)C(N)C(O)=O AK-46692 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.27 CC(C)(C)[C@H](N)C(O)=O AK-47550 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.27 CC(C)(C)[C@H](O)C(O)=O AK135563 [1,1,0,0,0,0|0,0,2]=4 139 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O AK-34222 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.27 CC(C)(O)[C@H](N)C(O)=O AK-34221 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.27 N[C@H](C(C)(C)C)C(=O)O AK-47336 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.37 CC(C)[C@@](C)(N)C(O)=O AK163535 [1,1,0,0,0,0|1,0,1]=4 143 B10R0.13 CC(C(C(NC(N)=O)=O)Br)C AK327594 [0,1,0,0,0,1|2,0,0]=4 144 B10R0.35 CCC(Br)C(C(OCC)=O)=O AK156443 [0,2,0,0,0,0|1,0,0]=3 145 B10R0.51 CC[C@H](C)[C@H](NC)C(OC)=O AK-89021 [0,2,0,0,0,0|1,0,1]=4 146 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.4 CN1CCOC(=O)C1 AK-33826 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.34 O=C(O)CC1CCC1 AK-76669 [1,0,0,1,0,0|0,0,1]=3 150 B8R1.5 O=C1C(CCCC1)=O AK-46655 [1,0,0,1,0,0|1,0,0]=3 151 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [1,0,0,1,0,0|0,0,2]=4 152 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [1,0,0,1,0,0|0,0,2]=4 153 B8R1.7 O=C(C1=CCCC1)O AK-33463 [1,0,0,1,0,0|1,0,0]=3 154 B8R1.7 O=C(C1CCCC1)O AK-39169 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [1,0,0,1,0,0|1,0,1]=4 157 B8R1.7 OC(=O)C1CCCN1 AK-54077 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.7 OC(=O)C1CCCO1 AK-60899 [1,0,0,1,0,0|0,0,2]=4 159 B8R1.54 O=C(O)[C@@H](N)C1CC1 AK-44348 [1,0,0,1,0,0|1,0,1]=4 160 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [1,0,0,1,0,0|0,0,0]=2 161 B8R1.78 NC1(CCC1)C(=O)O AK-40099 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.78 O=C(C1(C)CCC1)O AK-78655 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.11 O=C1C(CC)CCC1 AK112291 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.50 CC=1CCC(C1O)=O AK103328 [1,0,0,1,0,0|0,0,2]=4 165 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [1,0,0,1,0,0|1,0,1]=4 167 B10R1.25 C(C)C1CNC(CC1=O)=O AK-24496 [0,0,0,1,0,1|1,0,0]=3 168 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AK-40828 [0,0,0,1,0,1|1,0,1]=4 169 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [0,0,0,1,0,1|1,0,1]=4 170 B10R1.23 O=C(O)C(N)C1CCCC1 AK-88092 [0,1,0,1,0,0|1,0,1]=4 171 B10R1.23 O=C(O)[C@@H](N)C1CCCC1 AK-24337 [0,1,0,1,0,0|1,0,1]=4 172 B10R1.23 O=C(O)[C@H](N)C1CCCC1 AK-87854 [0,1,0,1,0,0|1,0,1]=4 173 B10R1.34 O=C1C(CC)OC(C)=C1O AK307137 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.34 O=C1OC(CC)C(C)=C1O AK115095 [0,1,0,1,0,0|0,0,2]=4 175 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,1,0,1,0,0|1,0,1]=4 176 B10R1.61 O=C([C@H]1NCCO[C@@H]1C)O AK157073 [0,1,0,1,0,0|1,0,1]=4 177 B10R1.2 O=C1N(CC)CCNC1=O AK114555 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.191 CC1C(C)C(C)=C(C)C1=O AK109505 [0,1,0,1,0,0|2,0,0]=4 179 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [1,0,0,0,0,1|0,0,1]=3