0 B11R0.62 O=C(OCC)C#CC(OCC)=O AK120940 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.62 O=C(OCC)CCC(OCC)=O AK151972 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.1 CCOC(=O)CCCCCBr AK111109 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.1 O=C(OCC)CCCCCN AK145590 [1,0,0,0,0,0|2,0,1]=4 4 B10R0.108 O=C(OCC)CNC(OC)=O AK-93553 [1,0,0,0,0,0|1,0,0]=2 5 B12R0.69 O=C(OCC)[C@H](N)CC(OCC)=O AK-43918 [0,1,0,0,0,0|0,0,0]=1 6 B12R0.69 O=C(OCC)[C@H](O)CC(OCC)=O AK142886 [0,1,0,0,0,0|0,0,0]=1 7 B12R0.69 [C@H](N)(CC(=O)OCC)C(=O)OCC AK-49446 [0,1,0,0,0,0|0,0,0]=1 8 B12R0.69 [O-]\C(C(OCC)=O)=C/C(OCC)=O AK-65293 [0,1,0,0,0,0|0,0,2]=3 9 B12R1.17 CCOC(=O)C1CC(=O)CCO1 AK109446 [0,0,0,1,0,0|2,0,0]=3 10 B12R1.17 O=C(C1CC(CCC1)=O)OCC AK-45206 [0,0,0,1,0,0|1,0,0]=2 11 B12R1.17 O=C(C1CN(C)CCC1)OCC AK-50737 [0,0,0,1,0,0|3,0,0]=4 12 B12R1.313 O=C1C=C(C)C(C(OCC)=O)C1 AK319288 [0,0,0,1,0,0|1,0,1]=3 13 B12R1.318 O=C(OCC)CC1C(CCC1)=O AK-48019 [0,0,0,1,0,0|1,0,0]=2 14 B10R0.2 O=C(OCC)CC(OCC)=O AK120896 [0,0,0,0,1,0|0,0,0]=1 15 B10R0.2 O=C(OCC)\C=C(N)\OCC AK116519 [0,0,0,0,1,0|1,0,1]=3 16 B12R0.285 O=C(OCC)CCCC(OCC)=O AK112428 [0,0,0,0,0,1|0,0,0]=1 17 B12R0.285 O=C(OCC)CNCC(OCC)=O AK-82275 [0,0,0,0,0,1|0,0,0]=1 18 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [2,0,0,0,0,0|1,0,1]=4 19 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [2,0,0,0,0,0|0,0,1]=3 20 B9R0.5 NCCCCC(=O)OCC AK-41723 [2,0,0,0,0,0|1,0,1]=4 21 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [2,0,0,0,0,0|0,0,1]=3 22 B9R0.24 COC(=O)CCC(=O)CN AK-79197 [2,0,0,0,0,0|1,0,0]=3 23 B9R0.24 O=C(OC)CNC(CN)=O AK129308 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.24 O=C(OC)\C=C\C(OC)=O AK144836 [2,0,0,0,0,0|0,0,2]=4 25 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [2,0,0,0,0,0|0,0,0]=2 26 B9R0.48 CCOC(=O)/C=C/C(O)=O AK-48066 [2,0,0,0,0,0|0,0,2]=4 27 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [2,0,0,0,0,0|0,0,0]=2 28 B11R0.4 CCOC(=O)CCCCCCBr AK-68411 [1,1,0,0,0,0|1,0,1]=4 29 B11R0.4 O=C(OCC)CCCCCCN AK-41611 [1,1,0,0,0,0|1,0,1]=4 30 B11R0.155 O=C(OCC)C(\C=C\OCC)=O AK127916 [1,1,0,0,0,0|0,0,2]=4 31 B11R0.43 CCOC(=O)C(=O)CC(=O)CC AK-51317 [1,1,0,0,0,0|0,0,1]=3 32 B11R0.177 CCOC(=O)C(=C)C(=O)OCC AK-64678 [0,1,0,0,1,0|0,0,1]=3 33 B11R0.177 O=C(OCC)C(C)C(OCC)=O AK400182 [0,1,0,0,1,0|0,0,0]=2 34 B11R0.177 O=C(OCC)C(N)C(OCC)=O AK-45984 [0,1,0,0,1,0|0,0,0]=2 35 B13R0.18 C(C)OC(C(=O)NCC(=O)OCC)=O AK-50606 [0,1,0,0,0,1|0,0,1]=3 36 B13R0.18 N[C@@H](CCC(OCC)=O)C(OCC)=O AK-47724 [0,1,0,0,0,1|0,0,0]=2 37 B13R0.18 O=C(OCC)C(CCC(OCC)=O)=O AK126628 [0,1,0,0,0,1|0,0,0]=2 38 B13R0.18 O=C(OCC)C(O)CCC(OCC)=O AK158429 [0,1,0,0,0,1|0,0,0]=2 39 B13R0.18 O=C(OCC)[C@H](N)CCC(OCC)=O AK202908 [0,1,0,0,0,1|0,0,0]=2 40 B13R0.674 O=C(OCC)C(C)C(C(OCC)=O)=O AK198714 [0,2,0,0,0,0|0,0,1]=3 41 B13R0.674 O=C(OCC)[C@@H](O)[C@H](O)C(OCC)=O AK-33203 [0,2,0,0,0,0|0,0,0]=2 42 B13R0.674 O=C(OCC)[C@H](O)[C@@H](O)C(OCC)=O AK109326 [0,2,0,0,0,0|0,0,0]=2 43 B13R0.27 O=C(OCC)CNC(OC(C)(C)C)=O AK-40108 [0,2,0,0,0,0|1,0,0]=3 44 B13R0.76 O=C(NNC(OC(C)C)=O)OC(C)C AK317525 [0,2,0,0,0,0|2,0,0]=4 45 B13R0.76 O=C(OC(C)C)CCC(OC(C)C)=O AK116689 [0,2,0,0,0,0|0,0,0]=2 46 B11R1.16 C(OC(C1CCCNC1)=O)C AK-50734 [1,0,0,1,0,0|2,0,0]=4 47 B11R1.16 C(OC(C1CCNCC1)=O)C AK-50644 [1,0,0,1,0,0|1,0,1]=4 48 B11R1.16 O=C(C1CCNCC1)OCC AK114998 [1,0,0,1,0,0|1,0,1]=4 49 B11R1.16 O=C(C1CCOCC1)OCC AK-55948 [1,0,0,1,0,0|0,0,1]=3 50 B11R1.16 O=C(C1CNCCC1)OCC AK-45217 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.16 O=C([C@@H]1CNCCC1)OCC AK-50723 [1,0,0,1,0,0|2,0,0]=4 52 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-41584 [1,0,0,1,0,0|2,0,0]=4 53 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-45083 [1,0,0,1,0,0|2,0,0]=4 54 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-50703 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.30 CCOC(=O)CC1CCNC1 AK-64695 [1,0,0,1,0,0|1,0,1]=4 56 B11R1.30 O=C(OCC)CC1OCCC1 AK154820 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.15 O=C(C1CC(CC1)=O)OCC AK-86296 [1,0,0,1,0,0|0,0,0]=2 58 B11R1.15 O=C(C1CC(NC1)=O)OCC AK-35807 [1,0,0,1,0,0|1,0,0]=3 59 B11R1.15 O=C(N1CC(CC1)=O)OCC AK-44543 [1,0,0,1,0,0|1,0,0]=3 60 B11R1.15 O=C([C@@H]1CCC(N1)=O)OCC AK-44074 [1,0,0,1,0,0|1,0,0]=3 61 B11R1.15 O=C1CC[C@H](C(OCC)=O)N1 AK-50038 [1,0,0,1,0,0|1,0,0]=3 62 B11R1.23 COC(=O)C1CCCC(=O)C1 AK-57628 [1,0,0,1,0,0|1,0,0]=3 63 B11R1.23 O=C(C1CC(NCC1)=O)OC AK-51686 [1,0,0,1,0,0|1,0,0]=3 64 B11R1.334 C(C(C1CC1)=O)C(OCC)=O AK-28517 [0,0,0,1,1,0|1,0,0]=3 65 B13R1.1515 O=C(C1C(C(OCC)=O)C1)OCC AK-45617 [0,0,0,1,0,1|0,0,0]=2 66 B13R1.1494 O=C(OCC)C(CC(C1CC1)=O)=O AK124412 [0,1,0,1,0,0|1,0,1]=4 67 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [1,0,0,0,1,0|0,0,0]=2 68 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [1,0,0,0,1,0|1,0,0]=3 69 B9R0.34 O=C(OC)CC(COC)=O AK-76878 [1,0,0,0,1,0|2,0,0]=4 70 B9R0.34 O=C(OCC)CC(NN)=O AK-81585 [1,0,0,0,1,0|2,0,0]=4 71 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,0,0,0,2,0|1,0,0]=3 72 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [0,0,0,0,2,0|1,0,0]=3 73 B13R0.367 CCOC(=O)CCCCC(=O)OCC AK111118 [0,0,0,0,0,2|0,0,0]=2