0 B10R0.2 O=C(OCC)CC(OCC)=O AK120896 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.2 O=C(OCC)C[C@H](O)CC#N AK-50683 [0,0,0,0,0,0|1,0,1]=2 2 B10R0.2 O=C(OCC)\C=C(N)\OCC AK116519 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.5 NCCCCC(=O)OCC AK-41723 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.5 O=C(OCC)COCCCl AK-86508 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [1,0,0,0,0,0|0,0,2]=3 9 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [1,0,0,0,0,0|0,0,2]=3 10 B9R0.34 O=C(OC)CC(COC)=O AK-76878 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [1,0,0,0,0,0|1,0,0]=2 12 B11R0.177 O=C(OCC)C(C)C(OCC)=O AK400182 [0,1,0,0,0,0|1,0,2]=4 13 B11R0.177 O=C(OCC)C(N)C(OCC)=O AK-45984 [0,1,0,0,0,0|1,0,2]=4 14 B11R1.30 CCOC(=O)CC1CCNC1 AK-64695 [0,0,0,1,0,0|2,0,0]=3 15 B11R1.30 O=C(OCC)CC1OCCC1 AK154820 [0,0,0,1,0,0|0,0,0]=1 16 B11R1.199 C(OC(C1C(CCC1)=O)=O)C AK-47297 [0,0,0,1,0,0|0,0,2]=3 17 B11R1.199 CCOC(=O)C1COCC1=O AK-82248 [0,0,0,1,0,0|1,0,2]=4 18 B11R1.199 O=C(C1C(OCC1)=O)OCC AK-72736 [0,0,0,1,0,0|1,0,2]=4 19 B11R1.199 O=C(C1CNCC1=O)OCC AK100873 [0,0,0,1,0,0|1,0,2]=4 20 B11R1.199 O=C([C@H]1[C@@H](O)CCC1)OCC AK306178 [0,0,0,1,0,0|0,0,0]=1 21 B11R1.334 C(C(C1CC1)=O)C(OCC)=O AK-28517 [0,0,0,1,0,0|0,0,2]=3 22 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,0,0,0,1,0|0,0,2]=3 23 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [0,0,0,0,1,0|2,0,1]=4 24 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [0,0,0,0,1,0|1,0,0]=2 25 B11R0.62 O=C(OCC)CCC(OCC)=O AK151972 [0,0,0,0,0,1|1,0,2]=4 26 B8R0.1 CCOC(=O)CCCI AK102411 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.1 CCOC(=O)CCCN AK-47111 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.1 O=C(OCC)CCCBr AK-41609 [2,0,0,0,0,0|1,0,0]=3 29 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.6 C=CC(CCCCC)=O AK164478 [2,0,0,0,0,0|0,0,2]=4 31 B8R0.6 O=C(OC)CCCCBr AK-88540 [2,0,0,0,0,0|1,0,0]=3 32 B8R0.6 O=C(OC)CCCCN AK112995 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.6 O=C(OC)CCCOC AK151485 [2,0,0,0,0,0|1,0,0]=3 34 B8R0.6 O=C(OC)COCCCl AK-44958 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [2,0,0,0,0,0|0,0,0]=2 36 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [2,0,0,0,0,0|1,0,0]=3 37 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [2,0,0,0,0,0|0,0,0]=2 39 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [2,0,0,0,0,0|0,0,2]=4 41 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [2,0,0,0,0,0|1,0,0]=3 42 B10R0.1 CCOC(=O)CCCCCBr AK111109 [1,1,0,0,0,0|0,0,0]=2 43 B10R0.1 O=C(OCC)CCCCCN AK145590 [1,1,0,0,0,0|0,0,0]=2 44 B10R0.1 O=C(OCC)CNCCC#N AK188033 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.3 CCOC(=O)CCCC(C)=C AK103346 [1,1,0,0,0,0|0,0,1]=3 46 B10R0.3 O=C(O)CCCC(OCC)=O AK486985 [1,1,0,0,0,0|1,0,1]=4 47 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [1,1,0,0,0,0|0,0,1]=3 48 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [1,1,0,0,0,0|0,0,2]=4 49 B10R0.18 O=C(OC)CC(CCOC)=O AK-78860 [1,1,0,0,0,0|0,0,2]=4 50 B10R0.26 C(=O)(CC(=O)C(C)C)OCC AK-73120 [1,1,0,0,0,0|0,0,2]=4 51 B10R0.35 CCC(Br)C(C(OCC)=O)=O AK156443 [1,1,0,0,0,0|1,0,1]=4 52 B10R0.44 CC(C)CC(CC(OC)=O)=O AK153459 [1,1,0,0,0,0|0,0,2]=4 53 B10R0.46 C([C@@H](O)CC(=O)OC)(=O)OC AK-50385 [1,1,0,0,0,0|1,0,1]=4 54 B10R0.32 CC(C)CC(N)C(OCC)=O AK153054 [0,1,0,0,1,0|1,0,0]=3 55 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC AK-49643 [0,1,0,0,1,0|1,0,0]=3 56 B12R0.22 C(OC(=O)CC(OCC)OCC)C AK-44460 [0,2,0,0,0,0|1,0,0]=3 57 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.11 CCOC(=O)C1CCNC1 AK-89599 [1,0,0,1,0,0|1,0,0]=3 59 B10R1.11 N1CCC(C1)C(=O)OCC AK-65324 [1,0,0,1,0,0|1,0,0]=3 60 B10R1.11 O=C(C1OCCC1)OCC AK-62782 [1,0,0,1,0,0|1,0,0]=3 61 B10R1.11 O=C([C@H]1NCCC1)NCC AK170245 [1,0,0,1,0,0|2,0,0]=4 62 B10R1.11 O=C([C@H]1NCCC1)OCC AK133273 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.11 O=C([C@H]1NCSC1)OCC AK-81296 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.135 O=C(C1C(C=O)C1)OCC AK159087 [1,0,0,1,0,0|1,0,1]=4 65 B10R1.27 O=C(OC)C[C@@H]1NCCC1 AK144146 [1,0,0,1,0,0|1,0,0]=3 66 B10R1.27 O=C(OC)C[C@H]1NCCC1 AK-86767 [1,0,0,1,0,0|1,0,0]=3 67 B10R1.134 C1(CC1)C(CC(=O)OC)=O AK-34681 [1,0,0,1,0,0|0,0,2]=4 68 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C AK-38248 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.149 O=C(C1C(CCC1)=O)OC AK-39183 [1,0,0,1,0,0|0,0,2]=4 70 B10R1.149 O=C([C@H]1CNC[C@@H]1C)OC AK544675 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.149 O=C([C@H]1N(C)CCC1)OC AK158809 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.140 O=C(C1CC(O)C1)OCC AK-51687 [0,0,0,1,1,0|2,0,0]=4 73 B10R1.140 O=C([C@H]1C[C@@H](N)C1)OCC AK132734 [0,0,0,1,1,0|2,0,0]=4 74 B10R1.401 O=C(C1(C)CCC1)OCC AK554630 [0,0,0,1,1,0|1,0,0]=3 75 B10R1.401 O=C(C1(N)CCC1)OCC AK144798 [0,0,0,1,1,0|1,0,0]=3 76 B12R1.17 O=C(C1CC(CCC1)=O)OCC AK-45206 [0,0,0,1,0,1|0,0,2]=4 77 B12R1.17 O=C(C1CN(C)CCC1)OCC AK-50737 [0,0,0,1,0,1|2,0,0]=4 78 B12R1.17 O=C([C@@H]1NCC[C@@H](C)C1)OCC AK-36285 [0,0,0,1,0,1|2,0,0]=4 79 B12R1.318 O=C(OCC)CC1C(CCC1)=O AK-48019 [0,0,0,1,0,1|0,0,2]=4 80 B12R1.32 O=C(OCC)CC1CCNCC1 AK-62757 [0,1,0,1,0,0|1,0,0]=3 81 B12R1.32 O=C(OCC)CC1CCOCC1 AK-45451 [0,1,0,1,0,0|1,0,0]=3 82 B12R1.32 O=C(OCC)CC1CNCCC1 AK-62785 [0,1,0,1,0,0|1,0,0]=3 83 B12R1.308 C(OC(=O)C1C(=O)CCCC1)C AK-41453 [0,1,0,1,0,0|0,0,2]=4 84 B12R1.308 CCOC(=O)C1CCNCC1=O AK-41235 [0,1,0,1,0,0|0,0,2]=4 85 B12R1.308 CCOC(=O)C1COCCC1=O AK-68860 [0,1,0,1,0,0|0,0,2]=4 86 B12R1.308 O=C(C1CNCCC1=O)OCC AK-47659 [0,1,0,1,0,0|0,0,2]=4 87 B12R1.308 O=C(C1N(C)CCCC1)OCC AK-75846 [0,1,0,1,0,0|2,0,0]=4 88 B12R1.308 O=C([C@H]1[C@@H](O)CCCC1)OCC AK173002 [0,1,0,1,0,0|0,0,0]=2 89 B12R1.308 O=C([C@H]1[C@H](O)CCCC1)OCC AK-81366 [0,1,0,1,0,0|0,0,0]=2 90 B12R1.308 O=C1NCCCC1C(OCC)=O AK-34903 [0,1,0,1,0,0|0,0,2]=4 91 B12R1.1618 O=C(OCC)CC1(C)OCCO1 AK-81951 [0,1,0,1,0,0|1,0,0]=3 92 B12R2.1479 CCOC(=O)C1C2COCC12 AK-46868 [0,0,0,2,0,0|2,0,0]=4 93 B12R2.1479 O=C(C1C2CNCC12)OCC AK136141 [0,0,0,2,0,0|2,0,0]=4 94 B12R2.1469 O=C(C12CNCC1C2)OCC AK545458 [0,0,0,2,0,0|2,0,0]=4 95 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [1,0,0,0,1,0|0,0,2]=4 96 B8R0.3 CCOC(=O)C(N)CO AK-81620 [1,0,0,0,1,0|2,0,0]=4 97 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [1,0,0,0,1,0|2,0,0]=4 98 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [1,0,0,0,1,0|1,0,0]=3 99 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [1,0,0,0,1,0|2,0,0]=4 100 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [1,0,0,0,1,0|2,0,0]=4 101 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [1,0,0,0,1,0|2,0,0]=4