0 B8R0.8 CC#CC[C@H](N)C(O)=O AK130681 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.8 NC(CCSC)C(O)=O AK-81252 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.8 O=C([O-])C(O)CCSC AK109150 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.3 CCCCC(O)CO AK161793 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.3 N[C@@H](CCSC)CO AK-81277 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 C#CCCCC(O)=O AK112298 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.4 C(CCC#N)C(O)=O AK-40359 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 CC(OCCCCl)=O AK167628 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.4 CCCCCB(O)O AK-46118 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.4 COCCCC(O)=O AK-76729 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.4 NC(OCCCC)=O AK116656 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 O=C(N)COCCCl AK113880 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 O=C(O)CCCCBr AK113954 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.4 O=C(O)CCCCCl AK139351 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.4 O=C(O)CCCCO AK198817 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.4 O=C(O)\C=C\OCC AK-46090 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.5 C#CCC(N)C(O)=O AK323755 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.5 C#CC[C@@H](N)C(O)=O AK107685 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.5 C#CC[C@@H](N)C(O)=O AK158803 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.5 C#CC[C@H](N)C(O)=O AK-93444 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.5 C#CC[C@H](N)C(O)=O AK110719 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.5 COCC(N)C(O)=O AK-87739 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.5 NC(CCO)C(O)=O AK-41514 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.5 O=C(O)C(N)CCN AK-44002 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.5 O=C(O)C(O)CCN AK-75839 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [1,0,0,0,0,0|2,0,0]=3 47 B9R0.6 CC(C(C)C(OCC)=O)=O AK-72552 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.7 C(C(C(O)=O)N)CC(N)=O AK-44182 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.7 C[C@H](NCC(O)=O)C(O)=O AK146172 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.7 NC(CCC(O)=O)C(O)=O AK-44032 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O AK-81265 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.7 N[C@H](CCC(N)=O)C(O)=O AK-44181 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.7 O=C(O)[C@@H](N)CCC(O)=O AK-44364 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.7 O=C(O)[C@@H](N)CCS(C)=O AK-78295 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.7 O=C(O)[C@@H](N)COC(C)=O AK124368 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.7 O=C(O)[C@H](N)CCC(O)=O AK-47369 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [0,1,0,0,0,0|1,0,0]=2 58 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [0,1,0,0,0,0|2,0,0]=3 60 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [0,1,0,0,0,0|0,0,1]=2 61 B9R0.42 O=C(O)C(N)CC(OC)=O AK109363 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.42 O=C(O)[C@@H](N)CC(OC)=O AK-48824 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.42 O=C(O)[C@H](C)CC(OC)=O AK-93758 [0,1,0,0,0,0|1,0,1]=3 64 B9R0.42 O=C(O)[C@H](N)CC(OC)=O AK112678 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.42 [C@@H](N)(CC(=O)OC)C(O)=O AK-43922 [0,1,0,0,0,0|2,0,1]=4 66 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [0,1,0,0,0,0|1,0,0]=2 67 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [0,1,0,0,0,0|2,0,0]=3 72 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [0,1,0,0,0,0|1,0,0]=2 73 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [0,1,0,0,0,0|1,0,0]=2 74 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [0,1,0,0,0,0|1,0,0]=2 75 B9R0.47 O=C(O)[C@@H](N)CSCC=C AK106112 [0,1,0,0,0,0|1,0,2]=4 76 B9R0.47 O=C(O)[C@H](N)CSCC=C AK106122 [0,1,0,0,0,0|1,0,2]=4 77 B9R1.5 CN1CCNCCC1=O AK-63341 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.5 CN1CCNCCC1=O AK-77181 [0,0,0,1,0,0|3,0,0]=4 79 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.5 O=C1NCCCCC1N AK-77858 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.6 CC(=O)N1CCOCC1 AK-59803 [0,0,0,1,0,0|3,0,0]=4 86 B9R1.6 CC(C1CCCCC1)=O AK110444 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.6 CC(C1CCNCC1)=O AK-76366 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.6 CC(C1CCOCC1)=O AK-58675 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.6 CC(O)C1CCOCC1 AK600722 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [0,0,0,1,0,0|1,0,0]=2 91 B9R1.6 N1CCNC[C@@H]1C(=O)O AK-46417 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.6 N1CCNC[C@H]1C(=O)O AK-33494 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [0,0,0,1,0,0|1,0,2]=4 95 B9R1.6 O=C(C1CCCCC1)O AK-73017 [0,0,0,1,0,0|0,0,0]=1 96 B9R1.6 O=C(C1CCNCC1)N AK-25908 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.6 O=C(C1CCNCC1)N AK-65946 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.6 O=C(C1CCNCC1)O AK-47605 [0,0,0,1,0,0|1,0,0]=2 99 B9R1.6 O=C(C1CCOCC1)N AK-90382 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.6 O=C(C1CNCCC1)N AK-44355 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.6 O=C(C1CNCCC1)O AK-35333 [0,0,0,1,0,0|1,0,0]=2 102 B9R1.6 O=C(C1CNCCN1)O AK-44180 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.6 O=C(C1COCCC1)O AK-65298 [0,0,0,1,0,0|1,0,0]=2 104 B9R1.6 O=C(C1NCCCC1)N AK-50709 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.6 O=C(C1NCCCC1)O AK-35539 [0,0,0,1,0,0|1,0,0]=2 106 B9R1.6 O=C(C1NCCCC1)O AK126108 [0,0,0,1,0,0|1,0,0]=2 107 B9R1.6 O=C(C1NCCNC1)O AK-34591 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.6 O=C(C1NCCOC1)O AK-53947 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.6 O=C(C1SCCCN1)O AK164034 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.6 O=C(N1CCNCC1)C AK-44435 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.6 O=C(N1CCNCC1)N AK187919 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [0,0,0,1,0,0|0,0,2]=3 113 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [0,0,0,1,0,0|1,0,0]=2 114 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [0,0,0,1,0,0|1,0,0]=2 116 B9R1.6 O=C([C@@H]1NCCOC1)O AK162039 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [0,0,0,1,0,0|0,0,2]=3 119 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [0,0,0,1,0,0|1,0,0]=2 120 B9R1.6 O=C([C@H]1CNCCN1)N AK174403 [0,0,0,1,0,0|3,0,0]=4 121 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [0,0,0,1,0,0|1,0,0]=2 123 B9R1.6 O=C([C@H]1NCCNC1)N AK174402 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.6 O=C([C@H]1NCCOC1)O AK-32781 [0,0,0,1,0,0|2,0,0]=3 125 B9R1.6 O=C([C@H]1NCCOC1)O AK109013 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.6 OB(O)C1CCCCC1 AK-44451 [0,0,0,1,0,0|1,0,1]=3 128 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,0,0,1,0,0|0,0,2]=3 129 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [0,0,0,1,0,0|0,0,2]=3 130 B9R1.35 CC(N1CC(N)CC1)=O AK148501 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.35 CC(N1CC(O)CC1)=O AK-83647 [0,0,0,1,0,0|3,0,0]=4 132 B9R1.35 CC(N1C[C@H](N)CC1)=O AK144251 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.35 N1(CC(C(=O)O)CC1)C AK-27826 [0,0,0,1,0,0|1,0,0]=2 134 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK-65072 [0,0,0,1,0,0|1,0,2]=4 135 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK113066 [0,0,0,1,0,0|1,0,2]=4 136 B9R1.35 O=C(C1CC(N)CC1)O AK-95492 [0,0,0,1,0,0|1,0,0]=2 137 B9R1.35 O=C(C1CCC(N1)=O)O AK-41431 [0,0,0,1,0,0|2,0,1]=4 138 B9R1.35 O=C(C1CCC(O1)=O)O AK154758 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 AK-40161 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.35 O=C(O)[C@H]1NC[C@H](O)C1 AK-26056 [0,0,0,1,0,0|2,0,0]=3 141 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,0,0,1,0,0|1,0,1]=3 142 B9R1.35 O=C([C@@H]1CCC(N1)=O)O AK-61177 [0,0,0,1,0,0|2,0,1]=4 143 B9R1.35 O=C([C@@H]1NC[C@@H](N)C1)O AK-42168 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O AK-41934 [0,0,0,1,0,0|2,0,0]=3 145 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,0,0,1,0,0|1,0,1]=3 146 B9R1.35 O=C([C@H]1CCC(N1)=O)O AK-46027 [0,0,0,1,0,0|2,0,1]=4 147 B9R1.35 O=C([C@H]1CCC(O1)=O)O AK-39191 [0,0,0,1,0,0|2,0,1]=4 148 B9R1.35 O=C([C@H]1C[C@@H](N)CC1)O AK159207 [0,0,0,1,0,0|1,0,0]=2 149 B9R1.35 O=C([C@H]1C[C@H](N)CC1)O AK163486 [0,0,0,1,0,0|1,0,0]=2 150 B9R1.35 O=C([C@H]1NC[C@@H](N)C1)O AK133481 [0,0,0,1,0,0|2,0,0]=3 151 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-38980 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-75743 [0,0,0,1,0,0|2,0,0]=3 153 B9R1.35 O=C([C@H]1NC[C@H](O)C1)O AK162668 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,0,0,1,0,0|1,0,1]=3 155 B9R1.35 OC(=O)[C@@H]1C[C@H](F)CN1 AK-30114 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O AK-39011 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.35 [C@H]1(NC[C@H](O)C1)C(=O)O AK-46403 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,0,0,1,0,0|2,0,1]=4 159 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,0,0,1,0,0|3,0,0]=4 160 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [0,0,0,1,0,0|1,0,0]=2 161 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [0,0,0,1,0,0|1,0,0]=2 162 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [0,0,0,1,0,0|1,0,0]=2 163 B9R1.163 O=C(C1(CCCC1)N)O AK-29341 [0,0,0,1,0,0|1,0,0]=2 164 B9R1.163 O=C(C1(F)CCCC1)O AK319573 [0,0,0,1,0,0|1,0,0]=2 165 B9R1.163 O=C([C@@]1(C)NCCC1)O AK164729 [0,0,0,1,0,0|1,0,0]=2 166 B9R1.163 O=C([C@]1(C)NCCC1)O AK116999 [0,0,0,1,0,0|1,0,0]=2 167 B9R1.163 OC(=O)C1(O)CCCC1 AK-60583 [0,0,0,1,0,0|1,0,0]=2 168 B9R0.4 O=C(O)C[C@@H](N)CCSC AK486956 [0,0,0,0,0,1|2,0,0]=3 169 B6R0.1 CCC[C@H](N)CO AK-81386 [2,0,0,0,0,0|1,0,1]=4 170 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.4 CCCCB(O)O AK-44016 [2,0,0,0,0,0|1,0,1]=4 172 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|0,0,1]=3 173 B6R0.4 NC(OCCC)=O AK116320 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.4 O=C(O)CCC#N AK-47909 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.4 O=C(O)CCCCl AK113749 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.4 O=C(O)CCCN AK-43987 [2,0,0,0,0,0|1,0,0]=3 177 B6R0.4 O=C(O)CCNC AK155866 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.4 OC(=O)CCC#C AK-32594 [2,0,0,0,0,0|0,0,2]=4 180 B6R0.6 C(CCO)CCBr AK-72934 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.6 C=CCCCCBr AK-48086 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.6 CCCNCCO AK-60790 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.6 ClCCCCC=O AK110863 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.6 O=CCCCCO AK-40206 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.6 OCCCCNC AK112657 [2,0,0,0,0,0|1,0,1]=4 186 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.3 C(C(C(O)=O)N)O AK-46543 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.3 C(C(N)C(O)=O)C AK-46591 [2,0,0,0,0,0|1,0,0]=3 189 B6R0.3 C(S)C(N)C(O)=O AK-73021 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.3 CC(C#N)C(O)=O AK544214 [2,0,0,0,0,0|1,0,1]=4 191 B6R0.3 CC(N(CC)C)=O AK149250 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.3 CCC(=O)C(O)=O AK-48379 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [2,0,0,0,0,0|0,0,0]=2 194 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [2,0,0,0,0,0|1,0,0]=3 195 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.3 COC(C)C(O)=O AK-49797 [2,0,0,0,0,0|1,0,0]=3 199 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [2,0,0,0,0,0|1,0,0]=3 200 B6R0.3 C[C@H](NC)C(O)=O AK134597 [2,0,0,0,0,0|1,0,0]=3 201 B6R0.3 C[C@H](OC)C(O)=O AK167072 [2,0,0,0,0,0|1,0,0]=3 202 B6R0.3 NC(CO)C(O)=O AK-41368 [2,0,0,0,0,0|2,0,0]=4 203 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [2,0,0,0,0,0|2,0,0]=4 205 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.3 O=C(O)C(C)CBr AK116257 [2,0,0,0,0,0|1,0,0]=3 207 B6R0.3 O=C(O)C(N)CN AK-44800 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.3 O=C(O)C(O)CO AK114312 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [2,0,0,0,0,0|2,0,0]=4 212 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [2,0,0,0,0,0|2,0,0]=4 213 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [2,0,0,0,0,0|2,0,0]=4 214 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.3 O=C(O)[C@H](N)CS AK175126 [2,0,0,0,0,0|2,0,0]=4 216 B8R0.6 C=CC(O)CCCCC AK164470 [1,1,0,0,0,0|2,0,0]=4 217 B8R0.6 OC[C@@H](N)CCCCN AK165144 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.5 C=CC[C@@H](N)CC(O)=O AK111359 [1,1,0,0,0,0|0,0,2]=4 219 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [1,1,0,0,0,0|0,0,0]=2 220 B8R0.7 C#CCCCCC(O)=O AK-40047 [1,1,0,0,0,0|0,0,1]=3 221 B8R0.7 CC(O)CCCCCC AK113715 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,1,0,0,0,0|1,0,1]=4 223 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,1,0,0,0,0|0,0,0]=2 224 B8R0.7 O=C(O)CCCCCN AK144762 [1,1,0,0,0,0|0,0,0]=2 225 B8R0.7 O=C(O)CCCCCO AK-41893 [1,1,0,0,0,0|0,0,0]=2 226 B8R0.7 O=C(O)COCCOC AK-33517 [1,1,0,0,0,0|1,0,0]=3 227 B8R0.7 O=C([O-])CCCCCO AK142914 [1,1,0,0,0,0|0,0,1]=3 228 B8R0.7 O=C([O-])CCNCCN AK545212 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,1,0,0,0,0|0,0,0]=2 230 B8R0.21 CCCCCS([O-])(=O)=O AK-86036 [1,1,0,0,0,0|1,0,1]=4 231 B8R0.21 OP(CCCCN)(O)=O AK-46310 [1,1,0,0,0,0|2,0,0]=4 232 B8R0.28 O=C(O)CCCC(O)=O AK114297 [1,1,0,0,0,0|1,0,1]=4 233 B8R0.28 O=C(O)CCCN(C)C AK-50053 [1,1,0,0,0,0|1,0,0]=3 234 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [1,1,0,0,0,0|1,0,0]=3 235 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [1,1,0,0,0,0|2,0,0]=4 236 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [1,1,0,0,0,0|1,0,0]=3 237 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [1,1,0,0,0,0|2,0,0]=4 238 B8R0.12 C=CCC(C)(C)C(O)=O AK-33579 [1,1,0,0,0,0|0,0,2]=4 239 B8R0.23 C(=O)([C@@H](NC(=O)C)C)O AK-44154 [1,1,0,0,0,0|1,0,1]=4 240 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [1,1,0,0,0,0|1,0,0]=3 241 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [1,1,0,0,0,0|1,0,0]=3 242 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [1,1,0,0,0,0|1,0,0]=3 243 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [1,1,0,0,0,0|1,0,0]=3 244 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [1,1,0,0,0,0|1,0,0]=3 245 B8R0.23 C[C@@H](NC(C)=O)C(O)=O AK-80484 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [1,1,0,0,0,0|2,0,0]=4 247 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [1,1,0,0,0,0|2,0,0]=4 248 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [1,1,0,0,0,0|1,0,0]=3 249 B8R0.23 O=C(O)C(C)CC(O)=O AK114636 [1,1,0,0,0,0|1,0,1]=4 250 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [0,1,0,0,0,1|1,0,1]=4 251 B10R0.36 C(C)OC(=O)C(C(O)=O)(C)C AK-26109 [0,2,0,0,0,0|1,0,1]=4 252 B10R0.82 C(CC(OC)=O)C(C(O)=O)N AK-46710 [0,2,0,0,0,0|1,0,1]=4 253 B10R0.82 [C@@H](N)(CCC(=O)OC)C(O)=O AK-41035 [0,2,0,0,0,0|1,0,1]=4 254 B10R0.92 CC(SC[C@H](C(O)=O)N)(C)C AK327486 [0,2,0,0,0,0|2,0,0]=4 255 B10R0.92 [C@@H](N)(COC(C)(C)C)C(O)=O AK-81262 [0,2,0,0,0,0|2,0,0]=4 256 B10R0.92 [C@H](N)(COC(C)(C)C)C(O)=O AK-41508 [0,2,0,0,0,0|2,0,0]=4 257 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,2,0,0,0,0|1,0,1]=4 258 B10R0.83 O=C(OC)[C@@H](N)CCCCN AK-81274 [0,2,0,0,0,0|1,0,0]=3 259 B10R0.83 O=C(OC)[C@H](N)CCCCN AK101735 [0,2,0,0,0,0|1,0,0]=3 260 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [0,2,0,0,0,0|1,0,0]=3 261 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [0,2,0,0,0,0|1,0,0]=3 262 B10R0.75 O=C(O)[C@@H](N)CSCCCO AK-39669 [0,2,0,0,0,0|1,0,0]=3 263 B10R0.98 O=C(O)[C@H](N)CCCC(O)=O AK-44090 [0,2,0,0,0,0|1,0,1]=4 264 B8R1.2 BrCC1CCCCC1 AK-34379 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.2 C(C1CCOCC1)O AK-25438 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.2 ICC1CCCCC1 AK126313 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.2 N#CC1CCCCC1 AK117259 [1,0,0,1,0,0|1,0,1]=4 268 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.2 NNC1CCCCC1 AK-51695 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.2 O=CN1CCOCC1 AK-47431 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.2 OCC1CCCCC1 AK-47687 [1,0,0,1,0,0|0,0,1]=3 272 B8R1.2 OCC1CNCCC1 AK-26981 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.2 OCC1NCCCC1 AK-47618 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [1,0,0,1,0,0|1,0,1]=4 275 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.2 ONC1CCCCC1 AK113259 [1,0,0,1,0,0|1,0,0]=3 278 B8R1.2 ONC1CCCCC1 AK118974 [1,0,0,1,0,0|1,0,0]=3 279 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [1,0,0,1,0,0|1,0,1]=4 282 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [1,0,0,1,0,0|1,0,1]=4 283 B8R1.5 CC1CNCCC1O AK-34735 [1,0,0,1,0,0|1,0,1]=4 284 B8R1.5 CC1CNCCC1O AK-77366 [1,0,0,1,0,0|1,0,1]=4 285 B8R1.5 FC1CCCCC1=O AK-79364 [1,0,0,1,0,0|1,0,0]=3 286 B8R1.5 NC1CCCCC1=O AK110393 [1,0,0,1,0,0|1,0,0]=3 287 B8R1.5 NC1CCCNC1=O AK-32522 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [1,0,0,1,0,0|1,0,1]=4 289 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [1,0,0,1,0,0|1,0,1]=4 290 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [1,0,0,1,0,0|1,0,1]=4 292 B8R1.5 O=C1C(C)CNCC1 AK-35717 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.5 O=C1C(C)CNCC1 AK-44679 [1,0,0,1,0,0|1,0,0]=3 294 B8R1.5 O=C1C(CCCC1)=O AK-46655 [1,0,0,1,0,0|1,0,1]=4 295 B8R1.5 O=C1N(C)CCNC1 AK-38983 [1,0,0,1,0,0|2,0,0]=4 296 B8R1.5 O=C1N(N)CCCC1 AK132922 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.5 O=C1NCCCC1N AK-58866 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.5 O=C1NCCCC1O AK-25552 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.5 OC1C(N)CCCC1 AK116055 [1,0,0,1,0,0|1,0,1]=4 302 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [1,0,0,1,0,0|1,0,1]=4 303 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [1,0,0,1,0,0|1,0,1]=4 304 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [1,0,0,1,0,0|1,0,1]=4 305 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [1,0,0,1,0,0|1,0,1]=4 306 B8R1.4 O=C1CC(C)NCC1 AK-45778 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [1,0,0,1,0,0|1,0,0]=3 310 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [1,0,0,1,0,0|1,0,0]=3 311 B8R1.7 O=C(C1=CCCC1)O AK-33463 [1,0,0,1,0,0|0,0,2]=4 312 B8R1.7 O=C(C1CC=CC1)O AK-36334 [1,0,0,1,0,0|0,0,2]=4 313 B8R1.7 O=C(C1CCCC1)O AK-39169 [1,0,0,1,0,0|0,0,0]=2 314 B8R1.7 O=C(C1COCC1)O AK-44786 [1,0,0,1,0,0|1,0,0]=3 315 B8R1.7 O=C(C1NCCC1)N AK-65799 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.7 O=C(C1NCOC1)O AK118758 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.7 O=C(C1SCCN1)O AK-50392 [1,0,0,1,0,0|2,0,0]=4 318 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [1,0,0,1,0,0|1,0,0]=3 321 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [1,0,0,1,0,0|1,0,0]=3 322 B8R1.7 O=C([C@H]1NCSC1)O AK-77692 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [1,0,0,1,0,0|1,0,0]=3 324 B8R1.7 OB(C1CCCC1)O AK-61891 [1,0,0,1,0,0|1,0,1]=4 325 B8R1.7 OC(=O)C1CCCN1 AK-54077 [1,0,0,1,0,0|1,0,0]=3 326 B8R1.7 OC(=O)C1CCCO1 AK-60899 [1,0,0,1,0,0|1,0,0]=3 327 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [1,0,0,1,0,0|1,0,0]=3 328 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [1,0,0,1,0,0|1,0,0]=3 329 B8R1.7 OC(=O)[C@H]1CSCN1 AK-78160 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.34 O=C(O)CC1CCC1 AK-76669 [1,0,0,1,0,0|0,0,0]=2 331 B8R1.72 OC1(C)CCCCC1 AK161821 [1,0,0,1,0,0|1,0,1]=4 332 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [1,0,0,1,0,0|1,0,1]=4 333 B8R1.23 O=C(C1CC(O)C1)O AK-51692 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.23 O=C(C1CN(C)C1)O AK-67585 [1,0,0,1,0,0|1,0,0]=3 335 B8R1.23 O=C([C@H]1C[C@@H](N)C1)O AK-29496 [1,0,0,1,0,0|1,0,0]=3 336 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O AK-67699 [1,0,0,1,0,0|1,0,0]=3 337 B8R1.23 O=C([C@H]1C[C@H](O)C1)O AK129703 [1,0,0,1,0,0|1,0,0]=3 338 B8R1.23 O=C1CC(C1)C(=O)O AK-25641 [1,0,0,1,0,0|1,0,1]=4 339 B8R1.54 O=C(O)[C@@H](N)C1CC1 AK-44348 [1,0,0,1,0,0|1,0,0]=3 340 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.78 CC(C1(C)COC1)=O AK136600 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.78 NC1(CCC1)C(=O)O AK-40099 [1,0,0,1,0,0|1,0,0]=3 343 B8R1.78 O=C(C1(C)CCC1)O AK-78655 [1,0,0,1,0,0|0,0,0]=2 344 B8R1.78 O=C(C1(C)COC1)O AK-57023 [1,0,0,1,0,0|1,0,0]=3 345 B10R1.18 CC(=O)NC1CCNCC1 AK-51631 [0,0,0,1,0,1|2,0,0]=4 346 B10R1.18 N1CCCC(C1)CC(=O)O AK-39922 [0,0,0,1,0,1|1,0,0]=3 347 B10R1.18 O1CCN(CC1)CC(=O)O AK-30449 [0,0,0,1,0,1|2,0,0]=4 348 B10R1.18 O=C(O)CC1=CCCCC1 AK-33815 [0,0,0,1,0,1|0,0,2]=4 349 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [0,0,0,1,0,1|0,0,0]=2 350 B10R1.18 O=C(O)CC1CCNCC1 AK-35393 [0,0,0,1,0,1|1,0,0]=3 351 B10R1.18 O=C(O)CC1CCOCC1 AK-44841 [0,0,0,1,0,1|1,0,0]=3 352 B10R1.18 O=C(O)CC1NCCOC1 AK-65808 [0,0,0,1,0,1|2,0,0]=4 353 B10R1.18 O=C(O)CC1OCCOC1 AK141848 [0,0,0,1,0,1|2,0,0]=4 354 B10R1.18 O=C(O)CN1CCOCC1 AK-50223 [0,0,0,1,0,1|2,0,0]=4 355 B10R1.18 O=C(O)C[C@@H]1CNCCO1 AK146348 [0,0,0,1,0,1|2,0,0]=4 356 B10R1.18 O=C(O)C[C@H]1CNCCO1 AK142872 [0,0,0,1,0,1|2,0,0]=4 357 B10R1.18 OB(CC1CCCCC1)O AK-85394 [0,0,0,1,0,1|1,0,1]=4 358 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,0,0,1,0,1|1,0,0]=3 359 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [0,0,0,1,0,1|1,0,0]=3 360 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [0,0,0,1,0,1|1,0,0]=3 361 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [0,0,0,1,0,1|1,0,0]=3 362 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [0,0,0,1,0,1|1,0,0]=3 363 B10R1.61 O=C([C@H]1NCCO[C@@H]1C)O AK157073 [0,0,0,1,0,1|2,0,0]=4 364 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [0,0,0,1,0,1|1,0,0]=3 365 B10R1.28 O=S(C1CCCCC1)(N)=O AK198665 [0,1,0,1,0,0|1,0,1]=4 366 B10R1.23 CC(N(C)[C@@H]1CNCC1)=O AK340554 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.23 O=C(O)C(N)C1CCCC1 AK-88092 [0,1,0,1,0,0|1,0,0]=3 368 B10R1.23 O=C(O)[C@@H](N)C1CCCC1 AK-24337 [0,1,0,1,0,0|1,0,0]=3 369 B10R1.23 O=C(O)[C@H](N)C1CCCC1 AK-87854 [0,1,0,1,0,0|1,0,0]=3 370 B10R1.34 O=C1C(CC)OC(C)=C1O AK307137 [0,1,0,1,0,0|1,0,1]=4 371 B10R1.34 O[C@H]1[C@H]([C@@H](CO)OC1=O)O AK307810 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.13 CC(N1CCC(N)CC1)=O AK109930 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.13 CC1=CCC(C(C)=O)CC1 AK-49974 [0,1,0,1,0,0|1,0,1]=4 374 B10R1.13 CN1CCC(CC1)C(N)=O AK101095 [0,1,0,1,0,0|2,0,0]=4 375 B10R1.13 CN1CCC(CC1)C(O)=O AK-48466 [0,1,0,1,0,0|1,0,0]=3 376 B10R1.13 C[C@H]1CC[C@@H](CC1)C(O)=O AK-45247 [0,1,0,1,0,0|0,0,0]=2 377 B10R1.13 NC(=O)C1CCC(=O)CC1 AK-89999 [0,1,0,1,0,0|1,0,1]=4 378 B10R1.13 N[C@H]1CC[C@@H](CC1)C(O)=O AK-29230 [0,1,0,1,0,0|0,0,0]=2 379 B10R1.13 N[C@H]1CC[C@H](CC1)C(O)=O AK-41665 [0,1,0,1,0,0|0,0,0]=2 380 B10R1.13 O=C(C1CCC(C)CC1)O AK164489 [0,1,0,1,0,0|0,0,0]=2 381 B10R1.13 O=C(C1CCC(CC1)=O)O AK107691 [0,1,0,1,0,0|0,0,1]=3 382 B10R1.13 O=C(C1CCN(C)CC1)O AK-47579 [0,1,0,1,0,0|1,0,0]=3 383 B10R1.13 O=C([C@H]1CC[C@@H](O)CC1)O AK-64579 [0,1,0,1,0,0|0,0,0]=2 384 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O AK-40159 [0,1,0,1,0,0|0,0,0]=2 385 B10R1.13 O=C([C@H]1CC[C@H](O)CC1)O AK116045 [0,1,0,1,0,0|0,0,0]=2 386 B10R1.13 O=C([C@H]1NC[C@@H](O)CC1)O AK172058 [0,1,0,1,0,0|1,0,0]=3 387 B10R1.13 O=C([C@H]1NC[C@@H](O)CC1)O AK172374 [0,1,0,1,0,0|1,0,0]=3 388 B10R1.13 OC1CCC(CC1)C(O)=O AK-64210 [0,1,0,1,0,0|0,0,0]=2 389 B10R1.349 O=C(C1CN(C(C)=O)C1)O AK209013 [0,1,0,1,0,0|1,0,1]=4 390 B10R1.349 O=C([C@H]1C[C@H](C(O)=O)C1)O AK129138 [0,1,0,1,0,0|1,0,1]=4 391 B10R1.359 O=C(C1OC(C)(C)OC1)O AK-26192 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.359 O=C([C@H]1NCC(F)(F)C1)O AK-76610 [0,1,0,1,0,0|2,0,0]=4 393 B10R1.359 O=C([C@H]1NCC(F)(F)C1)O AK-78161 [0,1,0,1,0,0|2,0,0]=4 394 B10R1.14 O=C(C1CC(CC1)=O)OC AK-39983 [0,1,0,1,0,0|1,0,1]=4 395 B10R1.14 O=C(C1CC(N)CC1)OC AK144646 [0,1,0,1,0,0|1,0,0]=3 396 B10R1.14 O=C([C@@H]1C[C@@H](N)CC1)OC AK173650 [0,1,0,1,0,0|1,0,0]=3 397 B10R1.14 O=C([C@@H]1C[C@H](N)CC1)OC AK185405 [0,1,0,1,0,0|1,0,0]=3 398 B10R1.14 O=C([C@@H]1NC[C@@H](O)C1)OC AK-78648 [0,1,0,1,0,0|2,0,0]=4 399 B10R1.14 O=C([C@@H]1NC[C@H](O)C1)OC AK-51059 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.14 O=C([C@H]1NC[C@@H](O)C1)OC AK-42167 [0,1,0,1,0,0|2,0,0]=4 401 B10R1.14 O=C([C@H]1NC[C@H](O)C1)OC AK-46722 [0,1,0,1,0,0|2,0,0]=4 402 B10R1.15 COC(=O)C1=CCCCC1 AK-89355 [0,1,0,1,0,0|0,0,2]=4 403 B10R1.15 COC(=O)C1CCCCN1 AK-75909 [0,1,0,1,0,0|1,0,0]=3 404 B10R1.15 COC(=O)C1CCCCO1 AK-82436 [0,1,0,1,0,0|1,0,0]=3 405 B10R1.15 COC(=O)C1COCCN1 AK-95491 [0,1,0,1,0,0|2,0,0]=4 406 B10R1.15 COC(=O)[C@H]1CCCCN1 AK-44845 [0,1,0,1,0,0|1,0,0]=3 407 B10R1.15 COC(C1CCCNC1)=O AK-27698 [0,1,0,1,0,0|1,0,0]=3 408 B10R1.15 ClCC(N1CCCCC1)=O AK115226 [0,1,0,1,0,0|2,0,0]=4 409 B10R1.15 N1CCC(CC1)C(=O)OC AK-50719 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.15 N1CCCC[C@@H]1C(=O)OC AK-29738 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.15 NCC(N1CCCCC1)=O AK389192 [0,1,0,1,0,0|2,0,0]=4 412 B10R1.15 N[C@@H](C1CCCCC1)CO AK103603 [0,1,0,1,0,0|1,0,1]=4 413 B10R1.15 O=C(C1CCNCC1)NC AK130215 [0,1,0,1,0,0|2,0,0]=4 414 B10R1.15 O=C(C1CCNCC1)OC AK116971 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.15 O=C(C1CCOCC1)OC AK-41265 [0,1,0,1,0,0|1,0,0]=3 416 B10R1.15 O=C(C1CNCCC1)OC AK-86479 [0,1,0,1,0,0|1,0,0]=3 417 B10R1.15 O=C(C1CNCCO1)OC AK-50377 [0,1,0,1,0,0|2,0,0]=4 418 B10R1.15 O=C(C1CNCCO1)OC AK-64898 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.15 O=C(C1NCCCC1)OC AK-41701 [0,1,0,1,0,0|1,0,0]=3 420 B10R1.15 O=C(C1NCCNC1)OC AK-44504 [0,1,0,1,0,0|2,0,0]=4 421 B10R1.15 O=C(N1CCNCC1)OC AK-80030 [0,1,0,1,0,0|2,0,0]=4 422 B10R1.15 O=C(N1CCOCC1)CO AK340603 [0,1,0,1,0,0|2,0,0]=4 423 B10R1.15 O=C([C@@H]1CNCCC1)OC AK-65136 [0,1,0,1,0,0|1,0,0]=3 424 B10R1.15 O=C([C@@H]1CNCCO1)OC AK143336 [0,1,0,1,0,0|2,0,0]=4 425 B10R1.15 O=C([C@H]1CNCCC1)NC AK203541 [0,1,0,1,0,0|2,0,0]=4 426 B10R1.15 O=C([C@H]1NCCOC1)OC AK-64358 [0,1,0,1,0,0|2,0,0]=4 427 B10R1.15 O=C([C@H]1NCCOC1)OC AK-94006 [0,1,0,1,0,0|2,0,0]=4 428 B10R1.15 O=[C@]([C@H]1NCCCC1)OC AK-33856 [0,1,0,1,0,0|1,0,0]=3 429 B10R1.411 O=C(C1(N)CCCC1)OC AK-44021 [0,1,0,1,0,0|1,0,0]=3 430 B10R1.411 O=C([C@@]1(C)NCCC1)OC AK164295 [0,1,0,1,0,0|1,0,0]=3 431 B10R1.194 O=C(O)[C@H]1CCC(N1C)=O AK677593 [0,1,0,1,0,0|1,0,1]=4 432 B10R1.194 O=C([C@@H]1CCC(N1C)=O)O AK159732 [0,1,0,1,0,0|1,0,1]=4 433 B10R1.348 CC(=O)N1CCCNCC1 AK-24088 [0,1,0,1,0,0|2,0,0]=4 434 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,1,0,1,0,0|1,0,0]=3 435 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,1,0,1,0,0|0,0,0]=2 436 B10R1.113 CN1CCCC(C1)C(O)=O AK-96687 [0,1,0,1,0,0|0,0,0]=2 437 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AK-40828 [0,1,0,1,0,0|0,0,0]=2 438 B10R1.113 N[C@H]1CCC[C@H](C1)C(O)=O AK-59924 [0,1,0,1,0,0|0,0,0]=2 439 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [0,1,0,1,0,0|1,0,1]=4 440 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [0,1,0,1,0,0|1,0,0]=3 441 B10R1.113 O=C([C@@H]1C[C@H](N)CCC1)O AK171951 [0,1,0,1,0,0|0,0,0]=2 442 B10R1.113 O=C([C@@H]1NCC[C@@H](O)C1)O AK552057 [0,1,0,1,0,0|1,0,0]=3 443 B10R1.113 O=C([C@H]1C[C@@H](N)CCC1)O AK171952 [0,1,0,1,0,0|0,0,0]=2 444 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [0,1,0,1,0,0|1,0,1]=4 445 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,1,0,1,0,0|0,0,1]=3 446 B10R1.118 O=C1[C@@H](C)OC([C@H](O1)C)=O AK-57455 [0,1,0,1,0,0|1,0,1]=4 447 B10R1.363 CC1(CCOCC1)C(O)=O AK-64987 [0,1,0,1,0,0|0,0,0]=2 448 B10R1.363 O=C(C1(C)CCNCC1)O AK-83641 [0,1,0,1,0,0|0,0,0]=2 449 B10R1.363 O=C(C1(N)CCOCC1)O AK-43291 [0,1,0,1,0,0|1,0,0]=3 450 B10R2.178 O=C1C2CC(CC2)CN1 AK311924 [0,0,0,2,0,0|1,0,0]=3 451 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [0,0,0,2,0,0|1,0,0]=3 452 B10R2.62 O=C1CN2CCC1CC2 AK-32961 [0,0,0,2,0,0|2,0,0]=4 453 B10R2.62 OC1C2CCC(CC2)C1 AK162852 [0,0,0,2,0,0|1,0,1]=4 454 B10R2.351 C12C(C1COC2)C(=O)O AK-31514 [0,0,0,2,0,0|1,0,0]=3 455 B10R0.78 CCCCC(C)CCC(O)=O AK164469 [0,0,0,0,0,2|0,0,0]=2