0 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.47 O=C(O)[C@@H](N)CSCC=C AK106112 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.47 O=C(O)[C@H](N)CSCC=C AK106122 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.6 C=CC(CCCCC)=O AK164478 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.6 C=CC(O)CCCCC AK164470 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.6 OC[C@@H](N)CCCCN AK165144 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 C#CCCCCC(O)=O AK-40047 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.7 CC(O)CCCCCC AK113715 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.7 O=C(O)CCCCCN AK144762 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.7 O=C(O)CCCCCO AK-41893 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.7 O=C(O)COCCOC AK-33517 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.7 O=C([O-])CCCCCO AK142914 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.7 O=C([O-])CCNCCN AK545212 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.8 CC#CC[C@H](N)C(O)=O AK130681 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.8 NC(CCSC)C(O)=O AK-81252 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [1,0,0,0,0,0|1,0,0]=2 29 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.8 O=C([O-])C(O)CCSC AK109150 [1,0,0,0,0,0|2,0,1]=4 34 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [0,1,0,0,0,0|1,0,0]=2 35 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [0,1,0,0,0,0|1,0,0]=2 36 B10R0.75 O=C(O)[C@@H](N)CSCCCO AK-39669 [0,1,0,0,0,0|2,0,0]=3 37 B10R0.82 C(CC(OC)=O)C(C(O)=O)N AK-46710 [0,1,0,0,0,0|2,0,1]=4 38 B10R0.82 [C@@H](N)(CCC(=O)OC)C(O)=O AK-41035 [0,1,0,0,0,0|2,0,1]=4 39 B10R0.83 O=C(OC)[C@@H](N)CCCCN AK-81274 [0,1,0,0,0,0|2,0,0]=3 40 B10R0.83 O=C(OC)[C@H](N)CCCCN AK101735 [0,1,0,0,0,0|2,0,0]=3 41 B10R0.98 O=C(O)[C@H](N)CCCC(O)=O AK-44090 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.23 CC(N(C)[C@@H]1CNCC1)=O AK340554 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.23 O=C(O)C(N)C1CCCC1 AK-88092 [0,0,0,1,0,0|1,0,0]=2 44 B10R1.23 O=C(O)[C@@H](N)C1CCCC1 AK-24337 [0,0,0,1,0,0|1,0,0]=2 45 B10R1.23 O=C(O)[C@H](N)C1CCCC1 AK-87854 [0,0,0,1,0,0|1,0,0]=2 46 B10R1.113 CN1CCCC(C1)C(O)=O AK-96687 [0,0,0,1,0,0|1,0,0]=2 47 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AK-40828 [0,0,0,1,0,0|1,0,0]=2 48 B10R1.113 N[C@H]1CCC[C@H](C1)C(O)=O AK-59924 [0,0,0,1,0,0|1,0,0]=2 49 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [0,0,0,1,0,0|2,0,1]=4 50 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [0,0,0,1,0,0|1,0,0]=2 51 B10R1.113 O=C([C@@H]1C[C@H](N)CCC1)O AK171951 [0,0,0,1,0,0|1,0,0]=2 52 B10R1.113 O=C([C@@H]1NCC[C@@H](O)C1)O AK552057 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.113 O=C([C@H]1C[C@@H](N)CCC1)O AK171952 [0,0,0,1,0,0|1,0,0]=2 54 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,0,0,1,0,0|1,0,1]=3 56 B10R1.348 CC(=O)N1CCCNCC1 AK-24088 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,0,0,1,0,0|1,0,0]=2 58 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,0,0,1,0,0|0,0,0]=1 59 B10R1.363 CC1(CCOCC1)C(O)=O AK-64987 [0,0,0,1,0,0|1,0,0]=2 60 B10R1.363 O=C(C1(C)CCNCC1)O AK-83641 [0,0,0,1,0,0|1,0,0]=2 61 B10R1.363 O=C(C1(N)CCOCC1)O AK-43291 [0,0,0,1,0,0|2,0,0]=3 62 B7R0.1 C=CCCCCCBr AK-40908 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.1 C=CCCCCNC AK142907 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.1 OCCCCCCBr AK110830 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.1 OCCCCCCCl AK-47999 [2,0,0,0,0,0|1,0,1]=4 66 B7R0.1 OCCCCCCN AK-84482 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.3 CCCCC(O)CO AK161793 [2,0,0,0,0,0|1,0,1]=4 68 B7R0.4 C#CCCCC(O)=O AK112298 [2,0,0,0,0,0|0,0,2]=4 69 B7R0.4 C(CCC#N)C(O)=O AK-40359 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.4 CC(O)CNCCO AK142435 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.4 CCCCCB(O)O AK-46118 [2,0,0,0,0,0|1,0,1]=4 72 B7R0.4 COCCCC(O)=O AK-76729 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.4 NC(OCCCC)=O AK116656 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.4 O=C(O)CCCCBr AK113954 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.4 O=C(O)CCCCCl AK139351 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.4 O=C(O)CCCCO AK198817 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.5 COCC(N)C(O)=O AK-87739 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.5 NC(CCO)C(O)=O AK-41514 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.5 O=C(O)C(N)CCN AK-44002 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.5 O=C(O)C(O)CCN AK-75839 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [2,0,0,0,0,0|2,0,0]=4 93 B9R0.46 CCC(C)CCCCCO AK-82137 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.46 CCCCCCC(C)CO AK158822 [1,1,0,0,0,0|0,0,1]=3 95 B9R0.2 C=CCCCCCC(O)=O AK164507 [1,1,0,0,0,0|0,0,1]=3 96 B9R0.2 CCCCCCCB(O)O AK145619 [1,1,0,0,0,0|1,0,1]=4 97 B9R0.2 O=C(O)CCCCCCN AK-47536 [1,1,0,0,0,0|0,0,0]=2 98 B9R0.2 OC(=O)CCCCCCBr AK-28585 [1,1,0,0,0,0|0,0,0]=2 99 B9R0.2 OCCCCCCC(O)=O AK-29232 [1,1,0,0,0,0|0,0,0]=2 100 B9R0.4 O=C(O)C[C@@H](N)CCSC AK486956 [1,1,0,0,0,0|1,0,0]=3 101 B9R0.38 CCCCCCS(=O)([O-])=O AK-86034 [1,1,0,0,0,0|1,0,1]=4 102 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [1,1,0,0,0,0|1,0,1]=4 103 B9R0.55 CC(=O)CCCCC(O)=O AK-48369 [1,1,0,0,0,0|0,0,1]=3 104 B9R0.7 O=C(O)[C@@H](N)CCS(C)=O AK-78295 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [1,1,0,0,0,0|1,0,0]=3 106 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [1,1,0,0,0,0|0,0,1]=3 107 B9R0.42 O=C(O)[C@H](C)CC(OC)=O AK-93758 [1,1,0,0,0,0|1,0,1]=4 108 B11R0.42 CCCCCCC[C@H](N)C(O)=O AK-58077 [0,2,0,0,0,0|1,0,0]=3 109 B11R0.141 O=C(O)[C@@H](N)CCC(NCC)=O AK-87931 [0,2,0,0,0,0|1,0,1]=4 110 B11R0.141 [C@H](N)(CCC(=O)OCC)C(O)=O AK-46358 [0,2,0,0,0,0|1,0,1]=4 111 B11R0.155 [C@H](N)(CCCCN)C(=O)OCC AK-49745 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.2 C(C1CN(CCC1)C)O AK-29511 [1,0,0,1,0,0|1,0,1]=4 113 B9R1.3 O=C1N(C)CCCN1C AK-36216 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.3 O=C1N(C)CCC[C@@H]1N AK101587 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.5 CN1CCNCCC1=O AK-63341 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.5 CN1CCNCCC1=O AK-77181 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.5 O=C1NCCCCC1N AK-77858 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.11 OC[C@@H](N)C1CCCC1 AK677837 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.89 NCC1CCCCCC1 AK110620 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.118 CC1(CO)CCNCC1 AK-31335 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.118 OCC1(F)CCCCC1 AK-32002 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.132 O=C1N(C)CCC1CO AK130651 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.6 CC(C1CCCCC1)=O AK110444 [1,0,0,1,0,0|1,0,0]=3 129 B9R1.6 CC(C1CCNCC1)=O AK-76366 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.6 CC(C1CCOCC1)=O AK-58675 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [1,0,0,1,0,0|1,0,0]=3 132 B9R1.6 N1CCNC[C@@H]1C(=O)O AK-46417 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.6 N1CCNC[C@H]1C(=O)O AK-33494 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [1,0,0,1,0,0|1,0,0]=3 135 B9R1.6 O=C(C1CCCCC1)O AK-73017 [1,0,0,1,0,0|0,0,0]=2 136 B9R1.6 O=C(C1CCNCC1)N AK-25908 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.6 O=C(C1CCNCC1)N AK-65946 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.6 O=C(C1CCNCC1)O AK-47605 [1,0,0,1,0,0|1,0,0]=3 139 B9R1.6 O=C(C1CCOCC1)N AK-90382 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.6 O=C(C1CNCCC1)N AK-44355 [1,0,0,1,0,0|2,0,0]=4 141 B9R1.6 O=C(C1CNCCC1)O AK-35333 [1,0,0,1,0,0|1,0,0]=3 142 B9R1.6 O=C(C1CNCCN1)O AK-44180 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.6 O=C(C1COCCC1)O AK-65298 [1,0,0,1,0,0|1,0,0]=3 144 B9R1.6 O=C(C1NCCCC1)N AK-50709 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.6 O=C(C1NCCCC1)O AK-35539 [1,0,0,1,0,0|1,0,0]=3 146 B9R1.6 O=C(C1NCCCC1)O AK126108 [1,0,0,1,0,0|1,0,0]=3 147 B9R1.6 O=C(C1NCCNC1)O AK-34591 [1,0,0,1,0,0|2,0,0]=4 148 B9R1.6 O=C(C1NCCOC1)O AK-53947 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.6 O=C(C1SCCCN1)O AK164034 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [1,0,0,1,0,0|0,0,2]=4 151 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [1,0,0,1,0,0|1,0,0]=3 152 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [1,0,0,1,0,0|1,0,0]=3 154 B9R1.6 O=C([C@@H]1NCCOC1)O AK162039 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [1,0,0,1,0,0|0,0,2]=4 157 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [1,0,0,1,0,0|1,0,0]=3 158 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [1,0,0,1,0,0|1,0,0]=3 160 B9R1.6 O=C([C@H]1NCCOC1)O AK-32781 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.6 O=C([C@H]1NCCOC1)O AK109013 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [1,0,0,1,0,0|2,0,0]=4 163 B9R1.6 OB(O)C1CCCCC1 AK-44451 [1,0,0,1,0,0|1,0,1]=4 164 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [1,0,0,1,0,0|0,0,2]=4 165 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [1,0,0,1,0,0|0,0,2]=4 166 B9R1.13 O1CCC(C1)CC(=O)O AK-37736 [1,0,0,1,0,0|1,0,0]=3 167 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [1,0,0,1,0,0|0,0,0]=2 168 B9R1.13 O=C(O)C[C@@H]1NCCC1 AK-80502 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.13 O=C(O)C[C@H]1NCCC1 AK-80500 [1,0,0,1,0,0|1,0,0]=3 170 B9R1.13 OC(=O)CN1CCCC1 AK109942 [1,0,0,1,0,0|1,0,0]=3 171 B9R1.13 [C@@H]1(CC(O)=O)CCCN1 AK-68480 [1,0,0,1,0,0|1,0,0]=3 172 B9R1.41 CN1CCC[C@H]1C(=O)O AK-46644 [1,0,0,1,0,0|1,0,0]=3 173 B9R1.41 O=C(C1N(C)CCC1)O AK125185 [1,0,0,1,0,0|1,0,0]=3 174 B9R1.41 O=C(C1N(C)CCC1)O AK543096 [1,0,0,1,0,0|1,0,0]=3 175 B9R1.41 O=C([C@@H]1N(C)CCC1)O AK165548 [1,0,0,1,0,0|1,0,0]=3 176 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [1,0,0,1,0,0|1,0,0]=3 177 B9R1.41 O=C([C@H]1N(C)CCC1)O AK-50484 [1,0,0,1,0,0|1,0,0]=3 178 B9R1.41 O=C([C@H]1NCC[C@H]1O)O AK135074 [1,0,0,1,0,0|2,0,0]=4 179 B9R1.35 N1(CC(C(=O)O)CC1)C AK-27826 [1,0,0,1,0,0|1,0,0]=3 180 B9R1.35 O=C(C1CC(N)CC1)O AK-95492 [1,0,0,1,0,0|1,0,0]=3 181 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 AK-40161 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.35 O=C(O)[C@H]1NC[C@H](O)C1 AK-26056 [1,0,0,1,0,0|2,0,0]=4 183 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [1,0,0,1,0,0|1,0,1]=4 184 B9R1.35 O=C([C@@H]1NC[C@@H](N)C1)O AK-42168 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O AK-41934 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [1,0,0,1,0,0|1,0,1]=4 187 B9R1.35 O=C([C@H]1C[C@@H](N)CC1)O AK159207 [1,0,0,1,0,0|1,0,0]=3 188 B9R1.35 O=C([C@H]1C[C@H](N)CC1)O AK163486 [1,0,0,1,0,0|1,0,0]=3 189 B9R1.35 O=C([C@H]1NC[C@@H](N)C1)O AK133481 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-38980 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-75743 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.35 O=C([C@H]1NC[C@H](O)C1)O AK162668 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [1,0,0,1,0,0|1,0,1]=4 194 B9R1.35 OC(=O)[C@@H]1C[C@H](F)CN1 AK-30114 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O AK-39011 [1,0,0,1,0,0|2,0,0]=4 196 B9R1.35 [C@H]1(NC[C@H](O)C1)C(=O)O AK-46403 [1,0,0,1,0,0|2,0,0]=4 197 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [1,0,0,1,0,0|1,0,0]=3 198 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [1,0,0,1,0,0|1,0,0]=3 199 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [1,0,0,1,0,0|1,0,0]=3 200 B9R1.163 O=C(C1(CCCC1)N)O AK-29341 [1,0,0,1,0,0|1,0,0]=3 201 B9R1.163 O=C(C1(F)CCCC1)O AK319573 [1,0,0,1,0,0|1,0,0]=3 202 B9R1.163 O=C([C@@]1(C)NCCC1)O AK164729 [1,0,0,1,0,0|1,0,0]=3 203 B9R1.163 O=C([C@]1(C)NCCC1)O AK116999 [1,0,0,1,0,0|1,0,0]=3 204 B9R1.163 OC(=O)C1(O)CCCC1 AK-60583 [1,0,0,1,0,0|1,0,0]=3 205 B11R1.27 O=C1OC(CCCCC)CC1 AK551064 [0,0,0,1,0,1|1,0,0]=3 206 B11R1.77 O=C(O)C[C@H](N)C1CCCC1 AK143297 [0,0,0,1,0,1|1,0,0]=3 207 B11R1.928 O=C(O)CC1(N)CCCCC1 AK-39323 [0,0,0,1,0,1|1,0,0]=3 208 B11R1.35 O=C(O)[C@@H](N)CC1CCCC1 AK-93387 [0,1,0,1,0,0|1,0,0]=3 209 B11R1.36 CC(C1CCCCC1)C(O)=O AK125718 [0,1,0,1,0,0|0,0,0]=2 210 B11R1.36 O=C(O)C(N)C1CCCCC1 AK-42709 [0,1,0,1,0,0|1,0,0]=3 211 B11R1.36 O=C(O)C(N)C1CCOCC1 AK-72641 [0,1,0,1,0,0|1,0,0]=3 212 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK-46700 [0,1,0,1,0,0|1,0,0]=3 213 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK162697 [0,1,0,1,0,0|1,0,0]=3 214 B11R1.36 O=C(O)[C@@H](N)C1CCOCC1 AK-36446 [0,1,0,1,0,0|1,0,0]=3 215 B11R1.36 O=C(O)[C@H](N)C1CCCCC1 AK-76429 [0,1,0,1,0,0|1,0,0]=3 216 B11R1.36 O=C(O)[C@H](N)C1CCOCC1 AK-44436 [0,1,0,1,0,0|1,0,0]=3 217 B11R1.36 [C@@H](N)(C1CCCCC1)C(O)=O AK-87852 [0,1,0,1,0,0|1,0,0]=3 218 B11R1.266 O=C(C1CC(OC)CCC1)O AK135091 [0,1,0,1,0,0|0,0,0]=2 219 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(O)=O AK-87189 [0,1,0,1,0,0|0,0,0]=2 220 B11R1.3 O=C(C1CCC(CC)CC1)O AK-88552 [0,1,0,1,0,0|0,0,0]=2 221 B11R1.3 O=C(C1CCC(CN)CC1)O AK134863 [0,1,0,1,0,0|1,0,0]=3 222 B11R1.3 O=C([C@H]1CC[C@H](CN)CC1)O AK308472 [0,1,0,1,0,0|1,0,0]=3 223 B11R1.3 O=C([C@H]1CC[C@H](OC)CC1)O AK173632 [0,1,0,1,0,0|1,0,0]=3 224 B11R1.220 O=C(C1(C)CCC(CC1)=O)O AK121875 [0,1,0,1,0,0|0,0,1]=3 225 B11R1.23 COC(=O)C1CCCC(=O)C1 AK-57628 [0,1,0,1,0,0|1,0,1]=4 226 B11R1.23 O=C(C1CN(C)CCC1)OC AK-28582 [0,1,0,1,0,0|1,0,0]=3 227 B11R1.31 O=C(OC)[C@@H](N)C1CCCC1 AK-86472 [0,1,0,1,0,0|1,0,0]=3 228 B11R1.878 COC(=O)C1(N)CCCCC1 AK-77095 [0,1,0,1,0,0|1,0,0]=3 229 B11R1.878 O=C(C1(O)CCNCC1)OC AK102355 [0,1,0,1,0,0|2,0,0]=4 230 B11R2.845 O=C(C1C2CC(C1)C=C2)O AK-72985 [0,0,0,2,0,0|0,0,2]=4 231 B11R2.12 O=C1NCC12CCNCC2 AK151328 [0,0,0,2,0,0|2,0,0]=4 232 B11R0.46 CCCCCC(C)CCC(O)=O AK112837 [0,0,0,0,0,2|0,0,0]=2 233 B11R0.46 O=C(O)CCN(C)CCCCC AK-35893 [0,0,0,0,0,2|1,0,0]=3