0 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.1 C#CCCC(CCO)=O AK544192 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.1 CCOC(=O)CCCI AK102411 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.1 CCOC(=O)CCCN AK-47111 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.1 O=C(OCC)CCCBr AK-41609 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.6 C=CC(CCCCC)=O AK164478 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.6 O=C(OC)CCCCBr AK-88540 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.6 O=C(OC)CCCCN AK112995 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.6 O=C(OC)CCCOC AK151485 [1,0,0,0,0,0|3,0,0]=4 15 B10R0.1 CCOC(=O)CCCCCBr AK111109 [0,1,0,0,0,0|2,0,0]=3 16 B10R0.1 O=C(OCC)CCCCCN AK145590 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.3 CCOC(=O)CCCC(C)=C AK103346 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,1,0,0,0,0|2,0,0]=3 19 B10R0.83 C=C(C#N)C(OCCCC)=O AK162172 [0,1,0,0,0,0|1,0,2]=4 20 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.11 CCOC(=O)C1CCNC1 AK-89599 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.11 N1CCC(C1)C(=O)OCC AK-65324 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.11 O=C(C1OCCC1)OCC AK-62782 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.11 O=C([C@H]1NCCC1)NCC AK170245 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.11 O=C([C@H]1NCCC1)OCC AK133273 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.25 C(C)C1CNC(CC1=O)=O AK-24496 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.138 [C@H]1(OC1)COC(=O)CCC AK-73004 [0,0,0,1,0,0|1,0,0]=2 28 B7R0.1 COCCOCCN AK-67670 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.3 CCCCC(NN)=O AK114657 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.3 O=C(OC)CCCBr AK-94853 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.3 O=C(OC)CCNC AK-85857 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.7 C(C)OC(CCI)=O AK-46570 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.7 CC#CC(OCC)=O AK-44989 [2,0,0,0,0,0|0,0,2]=4 34 B7R0.7 CCOC(=O)CCBr AK-76993 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.7 CCOC(=O)CCO AK-41251 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.7 O=C(COC)COC AK116819 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.7 O=C(NCC)NCC AK116700 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.7 O=C(OCC)CCN AK-49791 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.7 O=C(OCC)CNC AK-44190 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.7 O=C(OCC)CNN AK-50556 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.7 O=C(OCC)OCCl AK128867 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.4 CC(OCCCCl)=O AK167628 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.4 NC(OCCCC)=O AK116656 [2,0,0,0,0,0|1,0,0]=3 44 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [1,1,0,0,0,0|1,0,1]=4 46 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [1,1,0,0,0,0|1,0,1]=4 49 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.45 CCCCCCCCCBr AK164444 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.47 C[C@H](N)C(OCCCC)=O AK-76562 [1,1,0,0,0,0|0,0,0]=2 53 B11R0.4 CCOC(=O)CCCCCCBr AK-68411 [0,2,0,0,0,0|2,0,0]=4 54 B11R0.4 O=C(OCC)CCCCCCN AK-41611 [0,2,0,0,0,0|2,0,0]=4 55 B11R0.155 [C@H](N)(CCCCN)C(=O)OCC AK-49745 [0,2,0,0,0,0|2,0,0]=4 56 B11R0.191 CCCCC(CC)C(=O)OCC AK-82117 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.2 O=C1NCCC(CO)C1 AK170344 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.2 O=C1NCCN(CC)C1 AK480961 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.48 O=C1NCCCC(N)C1 AK132100 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.49 O=C1NCC(N)CCC1 AK129608 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.50 O=C1CCCCCCC1 AK-96432 [1,0,0,1,0,0|0,0,0]=2 66 B9R1.50 O=C1NCCCCCC1 AK-84407 [1,0,0,1,0,0|1,0,0]=3 67 B9R1.73 O=C(C1CNC1)OCC AK-51603 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.1 O=C1CCC(CO)CC1 AK114473 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.16 C(OC(C1CCCNC1)=O)C AK-50734 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.16 C(OC(C1CCNCC1)=O)C AK-50644 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.16 CCOC(=O)N1CCCCC1 AK-76918 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.16 O=C(C1CCNCC1)OCC AK114998 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.16 O=C(C1CCOCC1)OCC AK-55948 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.16 O=C(C1CNCCC1)OCC AK-45217 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.16 O=C(C1CNCCO1)OCC AK-32010 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.16 O=C(C1NCCCC1)OCC AK117282 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.16 O=C([C@@H]1CNCCC1)OCC AK-50723 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-41584 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-45083 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-50703 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.16 O=C([C@H]1NCCCC1)OCC AK-97255 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.30 CCOC(=O)CC1CCNC1 AK-64695 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.30 O=C(OCC)CC1OCCC1 AK154820 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.199 O=C([C@H]1[C@@H](O)CCC1)OCC AK306178 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.819 O=C(C1(O)CCCC1)OCC AK122366 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.366 CCCCOS(=O)(=O)C1CC1 AK103267 [0,1,0,1,0,0|1,0,0]=3 91 B11R2.1 O=C1OC[C@@H]2CNCCN21 AK124406 [0,0,0,2,0,0|2,0,0]=4