0 B10R0.3 CCOC(=O)CCCC(C)=C AK103346 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.3 O=C(O)CCCC(OCC)=O AK486985 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.1 C=C(C)CCCC(OC)=O AK550726 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.1 COC(=O)CCCC(Cl)=O AK-78695 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.1 COC(=O)CCCC(O)=O AK-76606 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.2 C=CCCCCCC(O)=O AK164507 [1,0,0,0,0,0|0,0,3]=4 6 B9R0.2 CCCCCCCB(O)O AK145619 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.2 O=C(O)CCCCCCN AK-47536 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.2 OC(=O)CCCCCCBr AK-28585 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.2 OCCCCCCC(O)=O AK-29232 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.5 NCCCCC(=O)OCC AK-41723 [1,0,0,0,0,0|2,0,1]=4 12 B11R0.141 O=C(O)[C@@H](N)CCC(NCC)=O AK-87931 [0,1,0,0,0,0|1,0,0]=2 13 B11R0.141 [C@H](N)(CCC(=O)OCC)C(O)=O AK-46358 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.15 O=C(C1CC(CC1)=O)OCC AK-86296 [0,0,0,1,0,0|2,0,0]=3 15 B11R1.15 O=C(C1CC(NC1)=O)OCC AK-35807 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.15 O=C(N1CC(CC1)=O)OCC AK-44543 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.15 O=C([C@@H]1CCC(N1)=O)OCC AK-44074 [0,0,0,1,0,0|2,0,0]=3 18 B11R1.15 O=C1CC[C@H](C(OCC)=O)N1 AK-50038 [0,0,0,1,0,0|2,0,0]=3 19 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,0,0,0,1,0|2,0,0]=3 20 B9R0.48 CCOC(=O)/C=C/C(O)=O AK-48066 [0,0,0,0,1,0|1,0,2]=4 21 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,0,0,0,1,0|1,0,0]=2 22 B8R0.7 C#CCCCCC(O)=O AK-40047 [2,0,0,0,0,0|0,0,2]=4 23 B8R0.7 CC(O)CCCCCC AK113715 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.7 C[C@@H](O)CCCCCC AK115983 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.7 O=C(O)CCCCCBr AK-35122 [2,0,0,0,0,0|1,0,0]=3 26 B8R0.7 O=C(O)CCCCCN AK144762 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.7 O=C(O)CCCCCO AK-41893 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.7 O=C(O)COCCOC AK-33517 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.7 O=C([O-])CCCCCO AK142914 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.7 OC(=O)CCCCCCl AK-48239 [2,0,0,0,0,0|1,0,0]=3 31 B8R0.28 O=C(O)CCCC(O)=O AK114297 [2,0,0,0,0,0|1,0,0]=3 32 B8R0.28 O=C(O)CCCN(C)C AK-50053 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.1 CCOC(=O)CCCI AK102411 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.1 CCOC(=O)CCCN AK-47111 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.1 O=C(OCC)CCCBr AK-41609 [2,0,0,0,0,0|2,0,0]=4 36 B10R0.57 O=C(O)CC[C@@H](N)C(OC)=O AK153988 [1,1,0,0,0,0|1,0,0]=3 37 B10R0.57 O=C(O)CC[C@H](N)C(OC)=O AK-80443 [1,1,0,0,0,0|1,0,0]=3 38 B10R0.59 O=C(OC)CNCC(OC)=O AK-84133 [1,1,0,0,0,0|2,0,0]=4 39 B10R0.82 C(CC(OC)=O)C(C(O)=O)N AK-46710 [1,1,0,0,0,0|1,0,0]=3 40 B10R0.82 [C@@H](N)(CCC(=O)OC)C(O)=O AK-41035 [1,1,0,0,0,0|1,0,0]=3 41 B10R0.4 O=C(O)CCCCCCCBr AK-33752 [1,1,0,0,0,0|0,0,1]=3 42 B10R0.4 O=C(O)CCCCCCCN AK-45259 [1,1,0,0,0,0|0,0,1]=3 43 B10R0.4 O=C(O)COCCOCCN AK-33158 [1,1,0,0,0,0|2,0,0]=4 44 B10R0.4 O=C(O)COCCOCCN AK-90200 [1,1,0,0,0,0|2,0,0]=4 45 B10R0.74 CCCCCCCC(NN)=O AK117029 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.74 CCCCCCCC(NO)=O AK-43792 [1,1,0,0,0,0|0,0,1]=3 47 B10R0.74 COC(CCCCCCBr)=O AK-29360 [1,1,0,0,0,0|1,0,1]=4 48 B10R0.74 O=C(OC)CCCCCCN AK-61182 [1,1,0,0,0,0|1,0,1]=4 49 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [1,1,0,0,0,0|0,0,1]=3 50 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [1,1,0,0,0,0|0,0,1]=3 51 B10R0.78 CCCCC(C)CCC(O)=O AK164469 [1,1,0,0,0,0|0,0,1]=3 52 B10R0.96 O=C(O)CNC(CC(C)C)=O AK-61155 [0,1,0,0,1,0|1,0,0]=3 53 B12R0.140 O=C(O)CCNC(OC(C)(C)C)=O AK-46723 [0,2,0,0,0,0|2,0,0]=4 54 B12R0.285 O=C(OCC)CCCC(OCC)=O AK112428 [0,2,0,0,0,0|1,0,0]=3 55 B12R0.285 O=C(OCC)CNCC(OCC)=O AK-82275 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.13 CC(=O)N1CCC(=O)CC1 AK-34678 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.13 CN1CCC(CC1)C(O)=O AK-48466 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.13 C[C@H]1CC[C@@H](CC1)C(O)=O AK-45247 [1,0,0,1,0,0|1,0,1]=4 59 B10R1.13 NC(=O)C1CCC(=O)CC1 AK-89999 [1,0,0,1,0,0|1,0,0]=3 60 B10R1.13 N[C@H]1CC[C@@H](CC1)C(O)=O AK-29230 [1,0,0,1,0,0|1,0,1]=4 61 B10R1.13 N[C@H]1CC[C@H](CC1)C(O)=O AK-41665 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.13 O=C(C1CCC(C)CC1)O AK164489 [1,0,0,1,0,0|1,0,1]=4 63 B10R1.13 O=C(C1CCC(CC1)=O)O AK107691 [1,0,0,1,0,0|0,0,0]=2 64 B10R1.13 O=C(C1CCN(C)CC1)O AK-47579 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.13 O=C([C@@H]1CNC(CN1)=O)O AK160412 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.13 O=C([C@H]1CC[C@@H](O)CC1)O AK-64579 [1,0,0,1,0,0|0,0,2]=4 67 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O AK-40159 [1,0,0,1,0,0|1,0,1]=4 68 B10R1.13 O=C([C@H]1CC[C@H](O)CC1)O AK116045 [1,0,0,1,0,0|0,0,2]=4 69 B10R1.13 OC1CCC(CC1)C(O)=O AK-64210 [1,0,0,1,0,0|0,0,2]=4 70 B10R1.14 COC(C1NC(=O)CC1)=O AK-46671 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.14 O=C(C1CC(CC1)=O)OC AK-39983 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.14 O=C([C@H]1CCC(N1)=O)OC AK-41780 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.14 O=C1N[C@H](C(OC)=O)CC1 AK-27009 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.150 COC(=O)CC1CC(=O)C1 AK109408 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.194 O=C(O)[C@H]1CCC(N1C)=O AK677593 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.194 O=C([C@@H]1CCC(N1C)=O)O AK159732 [1,0,0,1,0,0|1,0,0]=3 77 B10R1.350 O=C(O)CCCC1(C)CC1 AK137230 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.18 N1CCCC(C1)CC(=O)O AK-39922 [1,0,0,1,0,0|1,0,0]=3 79 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [1,0,0,1,0,0|0,0,1]=3 80 B10R1.18 O=C(O)CC1CCNCC1 AK-35393 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.18 O=C(O)CC1CCOCC1 AK-44841 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.18 O=C(O)CC1NCCOC1 AK-65808 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.18 O=C(O)CC1OCCOC1 AK141848 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.18 O=C(O)C[C@@H]1CNCCO1 AK146348 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.18 O=C(O)C[C@H]1CNCCO1 AK142872 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [1,0,0,1,0,0|1,0,1]=4 88 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [1,0,0,1,0,0|1,0,1]=4 89 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [1,0,0,1,0,0|1,0,1]=4 92 B10R1.66 O=C(O)CCC1CCCC1 AK-45246 [1,0,0,1,0,0|0,0,1]=3 93 B10R1.66 O=C(O)CCC1OCCO1 AK122521 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.66 O=C(O)CCN1CCCC1 AK118044 [1,0,0,1,0,0|1,0,1]=4 95 B10R1.348 O=C(C1CCCCCC1)N AK173577 [1,0,0,1,0,0|1,0,1]=4 96 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [1,0,0,1,0,0|0,0,1]=3 97 B10R1.11 O=C(C1OCCC1)OCC AK-62782 [1,0,0,1,0,0|1,0,1]=4 98 B10R1.135 O=C(C1C(C=O)C1)OCC AK159087 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.138 [C@H]1(OC1)COC(=O)CCC AK-73004 [1,0,0,1,0,0|1,0,1]=4 100 B10R1.113 CN1CCCC(C1)C(O)=O AK-96687 [0,0,0,1,1,0|2,0,0]=4 101 B10R1.113 N[C@H]1CCC[C@H](C1)C(O)=O AK-59924 [0,0,0,1,1,0|1,0,1]=4 102 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [0,0,0,1,1,0|1,0,0]=3 103 B10R1.113 O=C([C@@H]1C[C@H](N)CCC1)O AK171951 [0,0,0,1,1,0|1,0,1]=4 104 B10R1.113 O=C([C@H]1C[C@@H](N)CCC1)O AK171952 [0,0,0,1,1,0|1,0,1]=4 105 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [0,0,0,1,1,0|1,0,0]=3 106 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,0,0,1,1,0|0,0,0]=2 107 B10R1.140 O=C(C1CC(C1)=O)OCC AK-68248 [0,0,0,1,1,0|2,0,0]=4 108 B12R1.17 CCOC(=O)C1CC(=O)CCO1 AK109446 [0,0,0,1,0,1|2,0,0]=4 109 B12R1.17 O=C(C1CC(CCC1)=O)OCC AK-45206 [0,0,0,1,0,1|2,0,0]=4 110 B12R1.101 O=C(O)CC1CC(NC(C1)=O)=O AK-91767 [0,1,0,1,0,0|1,0,1]=4 111 B12R1.1280 CC1(C)CC(=O)CCC1C(O)=O AK-84814 [0,1,0,1,0,0|0,0,0]=2 112 B12R1.113 CCC[C@H]1CC[C@@H](CC1)C(O)=O AK-86898 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.252 O=C(O)CCCC1CCNCC1 AK-51221 [0,1,0,1,0,0|1,0,1]=4 114 B12R1.16 C1(C(OCC)=O)CCC(=O)CC1 AK-47372 [0,1,0,1,0,0|2,0,0]=4 115 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [1,0,0,0,1,0|1,0,0]=3 116 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [1,0,0,0,1,0|1,0,1]=4 117 B8R0.9 O=C(O)CCC(CN)=O AK-30504 [1,0,0,0,1,0|1,0,0]=3 118 B8R0.9 O=C(O)CNC(CN)=O AK-46058 [1,0,0,0,1,0|2,0,0]=4 119 B8R0.9 O=C(O)CNC(OC)=O AK158445 [1,0,0,0,1,0|2,0,0]=4 120 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [0,0,0,0,2,0|1,0,1]=4 121 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,0,0,0,2,0|2,0,0]=4 122 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [0,0,0,0,2,0|1,0,1]=4