0 B8R0.2 C([C@@H]([C@H](C(=O)[O-])O)O)O AK-74155 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.2 CCC(N)CC(O)=O AK-45971 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.2 O=C(O)CC(OC)=O AK-77136 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.5 C#CCC(N)C(O)=O AK323755 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.5 C#CC[C@@H](N)C(O)=O AK107685 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.5 C#CC[C@@H](N)C(O)=O AK158803 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.5 C#CC[C@H](N)C(O)=O AK-93444 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.5 C#CC[C@H](N)C(O)=O AK110719 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,0,0,0,0,0|0,0,0]=1 21 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.5 COCC(N)C(O)=O AK-87739 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.5 NC(CCO)C(O)=O AK-41514 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 O=C(O)C(N)CCN AK-44002 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.5 O=C(O)C(O)CCN AK-75839 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,0,0,0,0,0|0,0,0]=1 35 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.10 N[C@@H]([C@@H](C)CC)CO AK-47506 [1,0,0,0,0,0|0,0,1]=2 37 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.16 CC(C)C(N)C(C)C AK167760 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.16 CC(C)C(O)C(O)=O AK140040 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [1,0,0,0,0,0|0,0,0]=1 43 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.16 NC(C(O)=O)C(O)=O AK-49231 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O AK-81288 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [1,0,0,0,0,0|1,0,0]=2 55 B9R0.27 N[C@@H]([C@@H](C)CC)C(OC)=O AK-41506 [0,1,0,0,0,0|0,0,0]=1 56 B9R0.79 CC(C)[C@H](O)[C@H](N)C(O)=O AK122524 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.41 CN1CCC[C@H]1C(=O)O AK-46644 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.41 O=C(C1N(C)CCC1)O AK125185 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.41 O=C(C1N(C)CCC1)O AK543096 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.41 O=C([C@@H]1N(C)CCC1)O AK165548 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.41 O=C([C@H]1N(C)CCC1)O AK-50484 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.41 O=C([C@H]1NCC[C@H]1O)O AK135074 [0,0,0,1,0,0|1,0,0]=2 64 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [0,0,0,1,0,0|0,0,0]=1 65 B9R0.23 O=C(O)CC(N)C(OC)=O AK162672 [0,0,0,0,0,1|2,0,1]=4 66 B9R0.23 O=C(O)C[C@H](N)C(OC)=O AK-41500 [0,0,0,0,0,1|2,0,1]=4 67 B9R0.42 O=C(O)C(N)CC(OC)=O AK109363 [0,0,0,0,0,1|2,0,1]=4 68 B9R0.42 O=C(O)[C@@H](N)CC(OC)=O AK-48824 [0,0,0,0,0,1|2,0,1]=4 69 B9R0.42 O=C(O)[C@H](N)CC(OC)=O AK112678 [0,0,0,0,0,1|2,0,1]=4 70 B9R0.42 [C@@H](N)(CC(=O)OC)C(O)=O AK-43922 [0,0,0,0,0,1|2,0,1]=4 71 B6R0.1 CCC[C@H](N)CO AK-81386 [2,0,0,0,0,0|0,0,1]=3 72 B6R0.2 C(C(=O)O)N(C)C AK-41194 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.2 CC(C)CB(O)O AK-26354 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.2 CC(NC(C)C)=O AK-86542 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [2,0,0,0,0,0|1,0,0]=3 76 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [2,0,0,0,0,0|1,0,0]=3 78 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [2,0,0,0,0,0|1,0,0]=3 81 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [2,0,0,0,0,0|0,0,2]=4 82 B6R0.2 O=C([O-])C[S+](C)C AK543883 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.4 CCCCB(O)O AK-44016 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|0,0,1]=3 86 B6R0.4 NC(OCCC)=O AK116320 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.4 O=C(O)CCC#N AK-47909 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.4 O=C(O)CCCCl AK113749 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.4 O=C(O)CCCN AK-43987 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.4 O=C(O)CCNC AK155866 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.4 OC(=O)CCC#C AK-32594 [2,0,0,0,0,0|0,0,2]=4 93 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.3 C(C(C(C)C)N)O AK-46643 [2,0,0,0,0,0|0,0,1]=3 95 B6R0.3 C(C(C(O)=O)N)O AK-46543 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.3 C(C(N)C(O)=O)C AK-46591 [2,0,0,0,0,0|0,0,0]=2 97 B6R0.3 C(S)C(N)C(O)=O AK-73021 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.3 CC(C)C(N)CO AK-62680 [2,0,0,0,0,0|0,0,1]=3 99 B6R0.3 CC(C)\C(N)=N\O AK117017 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.3 CCC(=O)C(O)=O AK-48379 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [2,0,0,0,0,0|0,0,0]=2 103 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [2,0,0,0,0,0|0,0,0]=2 105 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.3 COC(C)C(O)=O AK-49797 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.3 C[C@H](NC)C(O)=O AK134597 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.3 C[C@H](OC)C(O)=O AK167072 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.3 NC(CO)C(O)=O AK-41368 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [2,0,0,0,0,0|1,0,0]=3 117 B6R0.3 O=C(O)C(C)CBr AK116257 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.3 O=C(O)C(N)CN AK-44800 [2,0,0,0,0,0|1,0,0]=3 119 B6R0.3 O=C(O)C(O)CO AK114312 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.3 O=C(O)[C@H](N)CS AK175126 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [2,0,0,0,0,0|0,0,1]=3 128 B8R0.5 C=CC[C@@H](N)CC(O)=O AK111359 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [1,1,0,0,0,0|1,0,0]=3 130 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [1,1,0,0,0,0|1,0,0]=3 132 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [1,1,0,0,0,0|1,0,0]=3 133 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [1,1,0,0,0,0|1,0,0]=3 137 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O AK-23909 [1,1,0,0,0,0|1,0,0]=3 138 B8R0.23 O=C(O)C(C)CC(O)=O AK114636 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.3 C=CCC(N)C(OC)=O AK164017 [1,1,0,0,0,0|0,0,2]=4 140 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [1,1,0,0,0,0|1,0,0]=3 141 B8R0.8 CC#CC[C@H](N)C(O)=O AK130681 [1,1,0,0,0,0|0,0,1]=3 142 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [1,1,0,0,0,0|0,0,0]=2 143 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [1,1,0,0,0,0|1,0,0]=3 144 B8R0.8 NC(CCSC)C(O)=O AK-81252 [1,1,0,0,0,0|0,0,0]=2 145 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [1,1,0,0,0,0|0,0,0]=2 146 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [1,1,0,0,0,0|0,0,0]=2 147 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [1,1,0,0,0,0|0,0,0]=2 148 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [1,1,0,0,0,0|0,0,0]=2 149 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [1,1,0,0,0,0|0,0,0]=2 150 B8R0.8 O=C([O-])C(O)CCSC AK109150 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.18 CC(C)[C@@H](C(O)=O)NC AK509708 [1,1,0,0,0,0|0,0,0]=2 152 B8R0.18 CC(C)[C@@H](CN)C(O)=O AK119228 [1,1,0,0,0,0|0,0,0]=2 153 B8R0.18 CC(C)[C@@H](NC)C(O)=O AK-89028 [1,1,0,0,0,0|0,0,0]=2 154 B8R0.18 CC(C)[C@H](CN)C(O)=O AK119232 [1,1,0,0,0,0|0,0,0]=2 155 B8R0.18 C[C@@H](O)[C@@H](C(O)=O)NC AK307143 [1,1,0,0,0,0|1,0,0]=3 156 B8R0.27 CC(C)(C)C(N)C(O)=O AK-46692 [1,1,0,0,0,0|0,0,0]=2 157 B8R0.27 CC(C)(C)[C@H](N)C(N)=O AK164248 [1,1,0,0,0,0|1,0,0]=3 158 B8R0.27 CC(C)(C)[C@H](N)C(O)=O AK-47550 [1,1,0,0,0,0|0,0,0]=2 159 B8R0.27 CC(C)(C)[C@H](O)C(O)=O AK135563 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O AK-34222 [1,1,0,0,0,0|0,0,0]=2 161 B8R0.27 CC(C)(O)[C@H](N)C(O)=O AK-34221 [1,1,0,0,0,0|0,0,0]=2 162 B8R0.27 N[C@H](C(C)(C)C)C(=O)O AK-47336 [1,1,0,0,0,0|0,0,0]=2 163 B8R0.37 C(C(=O)N)(N)(C(C)C)C AK-24703 [1,1,0,0,0,0|1,0,0]=3 164 B8R0.37 CC(C)[C@@](C)(N)C(O)=O AK163535 [1,1,0,0,0,0|0,0,0]=2 165 B10R0.51 CC[C@H](C)[C@H](NC)C(OC)=O AK-89021 [0,2,0,0,0,0|0,0,0]=2 166 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.4 CN1CCOC(=O)C1 AK-33826 [1,0,0,1,0,0|1,0,0]=3 168 B8R1.4 NC1CCNC(C1)=O AK-26117 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.4 O=C1CC(C)NCC1 AK-45778 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.4 O=C1NCCC(O)C1 AK-27778 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.4 O=C1NCCN(C)C1 AK-77137 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.34 O=C(O)CC1CCC1 AK-76669 [1,0,0,1,0,0|0,0,0]=2 175 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.5 FC1CCCCC1=O AK-79364 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.5 NC1CCCCC1=O AK110393 [1,0,0,1,0,0|1,0,0]=3 178 B8R1.5 NC1CCCNC1=O AK-32522 [1,0,0,1,0,0|1,0,0]=3 179 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [1,0,0,1,0,0|1,0,1]=4 182 B8R1.5 O=C1N(N)CCCC1 AK132922 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.5 O=C1NCCCC1N AK-58866 [1,0,0,1,0,0|1,0,0]=3 184 B8R1.5 O=C1NCCCC1O AK-25552 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.5 OC1C(N)CCCC1 AK116055 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.7 CC(C1SCCN1)=O AK163728 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [1,0,0,1,0,0|1,0,0]=3 192 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.7 O=C(C1=CCCC1)O AK-33463 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.7 O=C(C1CCCC1)O AK-39169 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.7 O=C(C1COCC1)O AK-44786 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.7 O=C(C1NCCC1)N AK-65799 [1,0,0,1,0,0|1,0,0]=3 197 B8R1.7 O=C(C1NCOC1)O AK118758 [1,0,0,1,0,0|1,0,0]=3 198 B8R1.7 O=C(C1SCCN1)O AK-50392 [1,0,0,1,0,0|1,0,0]=3 199 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [1,0,0,1,0,0|0,0,0]=2 201 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [1,0,0,1,0,0|0,0,0]=2 202 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [1,0,0,1,0,0|0,0,2]=4 204 B8R1.7 O=C([C@H]1NCSC1)O AK-77692 [1,0,0,1,0,0|1,0,0]=3 205 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.7 OC(=O)C1CCCN1 AK-54077 [1,0,0,1,0,0|0,0,0]=2 207 B8R1.7 OC(=O)C1CCCO1 AK-60899 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.7 OC(=O)[C@H]1CSCN1 AK-78160 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [1,0,0,1,0,0|0,0,2]=4 212 B8R1.23 O=C(C1CC(N1)=O)O AK-40842 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.23 O=C(C1CC(O)C1)O AK-51692 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.23 O=C(C1CN(C)C1)O AK-67585 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.23 O=C([C@H]1C[C@@H](N)C1)O AK-29496 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O AK-67699 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.23 O=C([C@H]1C[C@H](O)C1)O AK129703 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.54 O=C(O)[C@@H](N)C1CC1 AK-44348 [1,0,0,1,0,0|0,0,0]=2 219 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.78 NC1(CCC1)C(=O)O AK-40099 [1,0,0,1,0,0|0,0,0]=2 221 B8R1.78 O=C(C1(C)CCC1)O AK-78655 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.78 O=C(C1(C)COC1)O AK-57023 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [1,0,0,1,0,0|1,0,0]=3 225 B10R1.113 CN1CCCC(C1)C(O)=O AK-96687 [0,0,0,1,0,1|2,0,0]=4 226 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AK-40828 [0,0,0,1,0,1|0,0,0]=2 227 B10R1.113 N[C@H]1CCC[C@H](C1)C(O)=O AK-59924 [0,0,0,1,0,1|2,0,0]=4 228 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [0,0,0,1,0,1|1,0,0]=3 229 B10R1.113 O=C([C@@H]1C[C@H](N)CCC1)O AK171951 [0,0,0,1,0,1|2,0,0]=4 230 B10R1.113 O=C([C@@H]1NCC[C@@H](O)C1)O AK552057 [0,0,0,1,0,1|1,0,0]=3 231 B10R1.113 O=C([C@H]1C[C@@H](N)CCC1)O AK171952 [0,0,0,1,0,1|2,0,0]=4 232 B10R1.23 O=C(O)C(N)C1CCCC1 AK-88092 [0,1,0,1,0,0|0,0,0]=2 233 B10R1.23 O=C(O)[C@@H](N)C1CCCC1 AK-24337 [0,1,0,1,0,0|0,0,0]=2 234 B10R1.23 O=C(O)[C@H](N)C1CCCC1 AK-87854 [0,1,0,1,0,0|0,0,0]=2 235 B10R1.34 O[C@H]1[C@H]([C@@H](CO)OC1=O)O AK307810 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,1,0,1,0,0|1,0,0]=3 237 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [0,1,0,1,0,0|2,0,0]=4 238 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [0,1,0,1,0,0|2,0,0]=4 239 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [0,1,0,1,0,0|2,0,0]=4 240 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [0,1,0,1,0,0|2,0,0]=4 241 B10R1.61 O=C([C@H]1NCCO[C@@H]1C)O AK157073 [0,1,0,1,0,0|0,0,0]=2 242 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [0,1,0,1,0,0|2,0,0]=4 243 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C AK-38248 [0,1,0,1,0,0|2,0,0]=4 244 B10R1.149 O=C([C@H]1CNC[C@@H]1C)OC AK544675 [0,1,0,1,0,0|2,0,0]=4 245 B10R1.149 O=C([C@H]1N(C)CCC1)OC AK158809 [0,1,0,1,0,0|2,0,0]=4 246 B10R1.128 C[N+]1(C)[C@H](C(O)=O)CCC1 AK142876 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.128 O=C(C1CNCC1(C)C)O AK-29958 [0,1,0,1,0,0|2,0,0]=4 248 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [1,0,0,0,0,1|0,0,1]=3