0 B9R0.2 C=CCCCCCC(O)=O AK164507 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.2 CCCCCCCB(O)O AK145619 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.2 O=C(O)CCCCCCN AK-47536 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.2 OC(=O)CCCCCCBr AK-28585 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.2 OCCCCCCC(O)=O AK-29232 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.4 BrCCCCCCCBr AK109234 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.4 C(CCCCO)CCBr AK-41195 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.4 C=CCCCCCCCl AK164503 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.4 OCCCCCCC#C AK-48557 [1,0,0,0,0,0|0,0,3]=4 9 B8R0.4 OCCCCCCCO AK-44723 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.4 OCCCNCCCO AK-33226 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.7 C#CCCCCC(O)=O AK-40047 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.7 CC(O)CCCCCC AK113715 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.7 O=C(O)CCCCCN AK144762 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.7 O=C(O)CCCCCO AK-41893 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.7 O=C(O)COCCOC AK-33517 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.7 O=C([O-])CCCCCO AK142914 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.7 O=C([O-])CCNCCN AK545212 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,0,0,0,0,0|1,0,0]=2 21 B10R0.3 O=C(O)CCCC(OCC)=O AK486985 [0,1,0,0,0,0|1,0,1]=3 22 B10R0.4 CCCCCCCCB(O)O AK-84208 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.4 O=C(O)CCCCCCCBr AK-33752 [0,1,0,0,0,0|0,0,0]=1 24 B10R0.4 O=C(O)CCCCCCCN AK-45259 [0,1,0,0,0,0|0,0,0]=1 25 B10R0.4 O=C(O)COCCOCCN AK-33158 [0,1,0,0,0,0|2,0,0]=3 26 B10R0.4 O=C(O)COCCOCCN AK-90200 [0,1,0,0,0,0|2,0,0]=3 27 B10R0.22 CCCCCCCS(=O)([O-])=O AK-86033 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.22 CS(=O)(OCCCCCC)=O AK160846 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.55 C(C(OC)=O)CCCC(O)=O AK-46610 [0,1,0,0,0,0|1,0,1]=3 30 B10R0.55 COC(=O)CCCCC(C)=O AK102293 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.74 CCCCCCCC(NN)=O AK117029 [0,1,0,0,0,0|1,0,0]=2 32 B10R0.74 CCCCCCCC(NO)=O AK-43792 [0,1,0,0,0,0|0,0,0]=1 33 B10R0.74 COC(CCCCCCBr)=O AK-29360 [0,1,0,0,0,0|1,0,0]=2 34 B10R0.74 O=C(OC)CCCCCCN AK-61182 [0,1,0,0,0,0|1,0,0]=2 35 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [0,1,0,0,0,0|0,0,0]=1 36 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [0,1,0,0,0,0|0,0,0]=1 37 B10R0.75 O=C(O)[C@@H](N)CSCCCO AK-39669 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.78 CCCCC(C)CCC(O)=O AK164469 [0,1,0,0,0,0|0,0,0]=1 39 B10R0.78 O=C(C)CCC(OCCC)=O AK326213 [0,1,0,0,0,0|2,0,1]=4 40 B10R0.97 C(C(O)=O)CCCCC(O)=O AK-47619 [0,1,0,0,0,0|1,0,1]=3 41 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,0,0,1,0,0|2,0,0]=3 42 B10R1.18 CC(=O)NC1CCNCC1 AK-51631 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.18 CC(N)CC1CCCCC1 AK-51120 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.18 N1CCCC(C1)CC(=O)O AK-39922 [0,0,0,1,0,0|1,0,0]=2 45 B10R1.18 O1CCN(CC1)CC(=O)O AK-30449 [0,0,0,1,0,0|2,0,0]=3 46 B10R1.18 O=C(O)CC1=CCCCC1 AK-33815 [0,0,0,1,0,0|0,0,2]=3 47 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [0,0,0,1,0,0|0,0,0]=1 48 B10R1.18 O=C(O)CC1CCNCC1 AK-35393 [0,0,0,1,0,0|1,0,0]=2 49 B10R1.18 O=C(O)CC1CCOCC1 AK-44841 [0,0,0,1,0,0|1,0,0]=2 50 B10R1.18 O=C(O)CC1NCCOC1 AK-65808 [0,0,0,1,0,0|2,0,0]=3 51 B10R1.18 O=C(O)CC1OCCOC1 AK141848 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.18 O=C(O)CN1CCOCC1 AK-50223 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.18 O=C(O)C[C@@H]1CNCCO1 AK146348 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.18 O=C(O)C[C@H]1CNCCO1 AK142872 [0,0,0,1,0,0|2,0,0]=3 55 B10R1.18 OB(CC1CCCCC1)O AK-85394 [0,0,0,1,0,0|1,0,1]=3 56 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,0,0,1,0,0|1,0,0]=2 57 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [0,0,0,1,0,0|1,0,0]=2 58 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [0,0,0,1,0,0|1,0,0]=2 59 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [0,0,0,1,0,0|1,0,0]=2 60 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [0,0,0,1,0,0|1,0,0]=2 61 B10R1.61 O=C([C@H]1NCCO[C@@H]1C)O AK157073 [0,0,0,1,0,0|2,0,0]=3 62 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [0,0,0,1,0,0|1,0,0]=2 63 B10R1.64 O=C1CCCN1CC(=O)O AK-35555 [0,0,0,1,0,0|2,0,1]=4 64 B10R1.66 O=C(O)CCC1CCCC1 AK-45246 [0,0,0,1,0,0|0,0,0]=1 65 B10R1.66 O=C(O)CCC1OCCO1 AK122521 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.66 O=C(O)CCN1CCCC1 AK118044 [0,0,0,1,0,0|1,0,0]=2 67 B10R1.348 CC(=O)N1CCCNCC1 AK-24088 [0,0,0,1,0,0|3,0,0]=4 68 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,0,0,1,0,0|1,0,0]=2 69 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,0,0,1,0,0|0,0,0]=1 70 B7R0.1 C(CCCBr)CCBr AK-48407 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.1 C(CCCCC#C)O AK-30082 [2,0,0,0,0,0|0,0,2]=4 72 B7R0.1 C=CCCCCCBr AK-40908 [2,0,0,0,0,0|1,0,1]=4 73 B7R0.1 C=CCCCCNC AK142907 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.1 ICCCCCCI AK165087 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.1 NCCCCCCN AK129024 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.1 NCCCNCCO AK-50569 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.1 OCCCCCCBr AK110830 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.1 OCCCCCCCl AK-47999 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.1 OCCCCCCN AK-84482 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.4 C#CCCCC(O)=O AK112298 [2,0,0,0,0,0|0,0,2]=4 81 B7R0.4 C(CCC#N)C(O)=O AK-40359 [2,0,0,0,0,0|1,0,1]=4 82 B7R0.4 CCCCCB(O)O AK-46118 [2,0,0,0,0,0|1,0,1]=4 83 B7R0.4 COCCCC(O)=O AK-76729 [2,0,0,0,0,0|1,0,0]=3 84 B7R0.4 NC(OCCCC)=O AK116656 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.4 O=C(O)CCCCBr AK113954 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.4 O=C(O)CCCCCl AK139351 [2,0,0,0,0,0|1,0,0]=3 87 B7R0.4 O=C(O)CCCCO AK198817 [2,0,0,0,0,0|1,0,0]=3 88 B9R0.45 BrCCCCCCCCBr AK-48263 [1,1,0,0,0,0|1,0,1]=4 89 B9R0.45 C#CCCCCCCCO AK117239 [1,1,0,0,0,0|0,0,2]=4 90 B9R0.45 C=CCCCCCCCBr AK161876 [1,1,0,0,0,0|1,0,0]=3 91 B9R0.45 C=CCCCCCCCCl AK164575 [1,1,0,0,0,0|1,0,0]=3 92 B9R0.45 CCCCCCCCCBr AK164444 [1,1,0,0,0,0|1,0,1]=4 93 B9R0.45 OCCCCCCCCBr AK113930 [1,1,0,0,0,0|0,0,1]=3 94 B9R0.46 CCC(C)CCCCCO AK-82137 [1,1,0,0,0,0|0,0,1]=3 95 B9R0.46 CCCCCCC(C)CO AK158822 [1,1,0,0,0,0|0,0,1]=3 96 B9R0.1 COC(=O)CCCC(O)=O AK-76606 [1,1,0,0,0,0|1,0,1]=4 97 B9R0.4 O=C(O)C[C@@H](N)CCSC AK486956 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.38 CCCCCCS(=O)([O-])=O AK-86034 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [1,1,0,0,0,0|0,0,0]=2 101 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [1,1,0,0,0,0|0,0,0]=2 102 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [1,1,0,0,0,0|0,0,0]=2 103 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [1,1,0,0,0,0|1,0,0]=3 106 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [1,1,0,0,0,0|1,0,0]=3 108 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [1,1,0,0,0,0|1,0,1]=4 109 B9R0.55 CC(=O)CCCCC(O)=O AK-48369 [1,1,0,0,0,0|0,0,1]=3 110 B11R0.141 O=C(O)[C@@H](N)CCC(NCC)=O AK-87931 [0,2,0,0,0,0|1,0,1]=4 111 B11R0.141 [C@H](N)(CCC(=O)OCC)C(O)=O AK-46358 [0,2,0,0,0,0|1,0,1]=4 112 B11R0.30 C(C(O)=O)CCCCCC(O)=O AK-73011 [0,2,0,0,0,0|0,0,1]=3 113 B11R0.40 CCCCCC\C=C\C(OC)=O AK112231 [0,2,0,0,0,0|0,0,1]=3 114 B11R0.42 CCCCCCCC(=O)N(C)C AK-87625 [0,2,0,0,0,0|1,0,0]=3 115 B11R0.42 CCCCCCC[C@H](N)C(O)=O AK-58077 [0,2,0,0,0,0|0,0,0]=2 116 B11R0.46 CCCCCC(C)CCC(O)=O AK112837 [0,2,0,0,0,0|0,0,0]=2 117 B11R0.46 O=C(O)CCN(C)CCCCC AK-35893 [0,2,0,0,0,0|0,0,0]=2 118 B11R0.148 OC(=O)CCCCCCCCBr AK-49777 [0,2,0,0,0,0|0,0,0]=2 119 B11R0.148 OCCCCCCCCC(O)=O AK-77678 [0,2,0,0,0,0|0,0,0]=2 120 B11R0.159 CCCCCCCCP(O)(O)=O AK-48059 [0,2,0,0,0,0|1,0,0]=3 121 B11R0.159 CCCCCCCCS(=O)([O-])=O AK-86035 [0,2,0,0,0,0|1,0,1]=4 122 B11R0.31 CC(C)(C)CCCCCC(O)=O AK116933 [0,2,0,0,0,0|0,0,0]=2 123 B11R0.4 CCOC(=O)CCCCCCBr AK-68411 [0,2,0,0,0,0|1,0,0]=3 124 B11R0.4 O=C(OCC)CCCCCCN AK-41611 [0,2,0,0,0,0|1,0,0]=3 125 B11R0.164 CCCCC(CC)CCC(O)=O AK-60980 [0,2,0,0,0,0|0,0,0]=2 126 B9R1.5 CN1CCNCCC1=O AK-63341 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.5 CN1CCNCCC1=O AK-77181 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [1,0,0,1,0,0|1,0,0]=3 129 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.5 O=C1NCCCCC1N AK-77858 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.8 N#CCC1CCCCC1 AK144830 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.8 NCCC1CCCCC1 AK-25118 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [1,0,0,1,0,0|1,0,1]=4 140 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.12 OCCCN1CCCC1 AK-87069 [1,0,0,1,0,0|1,0,1]=4 142 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [1,0,0,1,0,0|1,0,1]=4 143 B9R1.33 OCCC1N(C)CCC1 AK-32182 [1,0,0,1,0,0|1,0,1]=4 144 B9R1.50 O=C1CCCCCCC1 AK-96432 [1,0,0,1,0,0|0,0,0]=2 145 B9R1.50 O=C1NCCCCCC1 AK-84407 [1,0,0,1,0,0|1,0,0]=3 146 B9R1.89 NCC1CCCCCC1 AK110620 [1,0,0,1,0,0|1,0,1]=4 147 B9R1.6 CC(C1CCCCC1)=O AK110444 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.6 CC(C1CCNCC1)=O AK-76366 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.6 CC(C1CCOCC1)=O AK-58675 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [1,0,0,1,0,0|1,0,0]=3 151 B9R1.6 N1CCNC[C@@H]1C(=O)O AK-46417 [1,0,0,1,0,0|2,0,0]=4 152 B9R1.6 N1CCNC[C@H]1C(=O)O AK-33494 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [1,0,0,1,0,0|1,0,0]=3 154 B9R1.6 O=C(C1CCCCC1)O AK-73017 [1,0,0,1,0,0|0,0,0]=2 155 B9R1.6 O=C(C1CCNCC1)N AK-25908 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.6 O=C(C1CCNCC1)N AK-65946 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.6 O=C(C1CCNCC1)O AK-47605 [1,0,0,1,0,0|1,0,0]=3 158 B9R1.6 O=C(C1CCOCC1)N AK-90382 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.6 O=C(C1CNCCC1)N AK-44355 [1,0,0,1,0,0|2,0,0]=4 160 B9R1.6 O=C(C1CNCCC1)O AK-35333 [1,0,0,1,0,0|1,0,0]=3 161 B9R1.6 O=C(C1CNCCN1)O AK-44180 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.6 O=C(C1COCCC1)O AK-65298 [1,0,0,1,0,0|1,0,0]=3 163 B9R1.6 O=C(C1NCCCC1)N AK-50709 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.6 O=C(C1NCCCC1)O AK-35539 [1,0,0,1,0,0|1,0,0]=3 165 B9R1.6 O=C(C1NCCCC1)O AK126108 [1,0,0,1,0,0|1,0,0]=3 166 B9R1.6 O=C(C1NCCNC1)O AK-34591 [1,0,0,1,0,0|2,0,0]=4 167 B9R1.6 O=C(C1NCCOC1)O AK-53947 [1,0,0,1,0,0|2,0,0]=4 168 B9R1.6 O=C(C1SCCCN1)O AK164034 [1,0,0,1,0,0|2,0,0]=4 169 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [1,0,0,1,0,0|0,0,2]=4 170 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [1,0,0,1,0,0|1,0,0]=3 171 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [1,0,0,1,0,0|2,0,0]=4 172 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [1,0,0,1,0,0|1,0,0]=3 173 B9R1.6 O=C([C@@H]1NCCOC1)O AK162039 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [1,0,0,1,0,0|0,0,2]=4 176 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [1,0,0,1,0,0|1,0,0]=3 177 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [1,0,0,1,0,0|1,0,0]=3 179 B9R1.6 O=C([C@H]1NCCOC1)O AK-32781 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.6 O=C([C@H]1NCCOC1)O AK109013 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.6 OB(O)C1CCCCC1 AK-44451 [1,0,0,1,0,0|1,0,1]=4 183 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [1,0,0,1,0,0|0,0,2]=4 184 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [1,0,0,1,0,0|0,0,2]=4 185 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.13 O1CCC(C1)CC(=O)O AK-37736 [1,0,0,1,0,0|1,0,0]=3 187 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [1,0,0,1,0,0|0,0,0]=2 188 B9R1.13 O=C(O)C[C@@H]1NCCC1 AK-80502 [1,0,0,1,0,0|1,0,0]=3 189 B9R1.13 O=C(O)C[C@H]1NCCC1 AK-80500 [1,0,0,1,0,0|1,0,0]=3 190 B9R1.13 OC(=O)CN1CCCC1 AK109942 [1,0,0,1,0,0|1,0,0]=3 191 B9R1.13 [C@@H]1(CC(O)=O)CCCN1 AK-68480 [1,0,0,1,0,0|1,0,0]=3 192 B9R1.41 CN1CCC[C@H]1C(=O)O AK-46644 [1,0,0,1,0,0|1,0,0]=3 193 B9R1.41 O=C(C1N(C)CCC1)O AK125185 [1,0,0,1,0,0|1,0,0]=3 194 B9R1.41 O=C(C1N(C)CCC1)O AK543096 [1,0,0,1,0,0|1,0,0]=3 195 B9R1.41 O=C([C@@H]1N(C)CCC1)O AK165548 [1,0,0,1,0,0|1,0,0]=3 196 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [1,0,0,1,0,0|1,0,0]=3 197 B9R1.41 O=C([C@H]1N(C)CCC1)O AK-50484 [1,0,0,1,0,0|1,0,0]=3 198 B9R1.41 O=C([C@H]1NCC[C@H]1O)O AK135074 [1,0,0,1,0,0|2,0,0]=4 199 B11R1.27 O=C1OC(CCCCC)CC1 AK551064 [0,1,0,1,0,0|0,0,0]=2 200 B11R1.91 O=C(O)CCC1CCCCC1 AK116675 [0,1,0,1,0,0|0,0,0]=2 201 B11R1.91 O=C(O)CCN1CCCCC1 AK-34442 [0,1,0,1,0,0|0,0,0]=2 202 B11R1.91 O=C(O)CCN1CCOCC1 AK-32581 [0,1,0,1,0,0|1,0,0]=3 203 B11R1.91 O=C(O)\C=C\C1CCCCC1 AK-79295 [0,1,0,1,0,0|0,0,1]=3 204 B11R1.91 O=C([O-])CCN1CCOCC1 AK159085 [0,1,0,1,0,0|1,0,1]=4 205 B11R1.77 O=C(O)C[C@H](N)C1CCCC1 AK143297 [0,1,0,1,0,0|0,0,0]=2 206 B11R1.928 O=C(O)CC1(N)CCCCC1 AK-39323 [0,1,0,1,0,0|0,0,0]=2 207 B11R1.20 C(N1CCN(C)CC1)C(=O)O AK-29379 [0,1,0,1,0,0|2,0,0]=4 208 B11R1.20 CC(=O)NC1CCC(O)CC1 AK109437 [0,1,0,1,0,0|2,0,0]=4 209 B11R1.20 N[C@H]1CC[C@H](CC(O)=O)CC1 AK110004 [0,1,0,1,0,0|0,0,0]=2 210 B11R1.20 O=C(O)CC1CCC(O)CC1 AK141945 [0,1,0,1,0,0|0,0,0]=2 211 B11R1.266 O=C(C1CC(OC)CCC1)O AK135091 [0,1,0,1,0,0|1,0,0]=3 212 B11R1.25 O=C(OC)CNC1CCCC1 AK-47989 [0,1,0,1,0,0|1,0,0]=3 213 B11R1.25 O=C(OC)CO[C@H]1CNCC1 AK554554 [0,1,0,1,0,0|2,0,0]=4 214 B11R1.40 COC(=O)CC1CCOCC1 AK-76203 [0,1,0,1,0,0|1,0,0]=3 215 B11R1.40 O=C(OC)CC1CCNCC1 AK-44290 [0,1,0,1,0,0|1,0,0]=3 216 B11R1.40 O=C(OC)C[C@@H]1NCCOC1 AK165141 [0,1,0,1,0,0|2,0,0]=4 217 B11R1.40 OC[C@@H](N)CC1CCCCC1 AK-57591 [0,1,0,1,0,0|1,0,1]=4 218 B11R1.222 O=C(C1CNCCC1O)OC AK554356 [0,1,0,1,0,0|2,0,0]=4 219 B11R1.222 O=C(C1N(C)CCNC1)OC AK-64634 [0,1,0,1,0,0|2,0,0]=4 220 B11R1.35 O=C(O)[C@@H](N)CC1CCCC1 AK-93387 [0,1,0,1,0,0|0,0,0]=2 221 B11R1.36 CC(C1CCCCC1)C(O)=O AK125718 [0,1,0,1,0,0|0,0,0]=2 222 B11R1.36 O=C(O)C(N)C1CCCCC1 AK-42709 [0,1,0,1,0,0|0,0,0]=2 223 B11R1.36 O=C(O)C(N)C1CCOCC1 AK-72641 [0,1,0,1,0,0|1,0,0]=3 224 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK-46700 [0,1,0,1,0,0|0,0,0]=2 225 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK162697 [0,1,0,1,0,0|0,0,0]=2 226 B11R1.36 O=C(O)[C@@H](N)C1CCOCC1 AK-36446 [0,1,0,1,0,0|1,0,0]=3 227 B11R1.36 O=C(O)[C@H](N)C1CCCCC1 AK-76429 [0,1,0,1,0,0|0,0,0]=2 228 B11R1.36 O=C(O)[C@H](N)C1CCOCC1 AK-44436 [0,1,0,1,0,0|1,0,0]=3 229 B11R1.36 [C@@H](N)(C1CCCCC1)C(O)=O AK-87852 [0,1,0,1,0,0|0,0,0]=2 230 B11R1.178 O=C(C1N(C(C)=O)CCC1)O AK-71529 [0,1,0,1,0,0|1,0,1]=4 231 B11R1.178 O=C(O)[C@@H]1N(C(C)=O)CCC1 AK-81085 [0,1,0,1,0,0|1,0,1]=4 232 B11R1.178 O=C(O)[C@H]1N(C(C)=O)CCC1 AK-44835 [0,1,0,1,0,0|1,0,1]=4 233 B11R1.178 O=C([C@H]1[C@H](C(O)=O)CCC1)O AK-93001 [0,1,0,1,0,0|1,0,1]=4 234 B11R2.1 O=C1OC[C@@H]2CNCCN21 AK124406 [0,0,0,2,0,0|2,0,0]=4 235 B11R2.703 O=C1CC2(CCNCC2)C1 AK-51052 [0,0,0,2,0,0|2,0,0]=4 236 B11R2.703 O=C1NC2(CCNCC2)C1 AK123212 [0,0,0,2,0,0|2,0,0]=4 237 B11R2.202 O=C1C2C(CCC2)C(O1)=O AK-81699 [0,0,0,2,0,0|1,0,1]=4 238 B11R2.845 O=C(C1C2CC(C1)C=C2)O AK-72985 [0,0,0,2,0,0|0,0,2]=4 239 B11R2.432 CN1C2CC(=O)CC1CC2 AK-26080 [0,0,0,2,0,0|2,0,0]=4