0 B11R0.191 CCCCC(CC)C(=O)OCC AK-82117 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [1,0,0,0,0,0|1,0,1]=3 2 B12R0.8 O=C(OCC)C(CC)C(OCC)=O AK167609 [0,1,0,0,0,0|1,0,1]=3 3 B12R0.8 O=C(OCC)C(NC)C(OCC)=O AK188536 [0,1,0,0,0,0|2,0,1]=4 4 B12R1.16 C1(C(OCC)=O)CCC(=O)CC1 AK-47372 [0,0,0,1,0,0|1,0,1]=3 5 B12R1.16 CCOC(=O)C1CCC(=C)CC1 AK-70327 [0,0,0,1,0,0|0,0,2]=3 6 B12R1.16 CCOC(=O)C1CCC(N)CC1 AK-35420 [0,0,0,1,0,0|1,0,0]=2 7 B12R1.16 CCOC(=O)N1CCC(=O)CC1 AK-39199 [0,0,0,1,0,0|2,0,1]=4 8 B12R1.16 O=C(C1CCC(O)CC1)OCC AK-45280 [0,0,0,1,0,0|1,0,0]=2 9 B12R1.16 O=C(C1CCN(C)CC1)OCC AK-44320 [0,0,0,1,0,0|1,0,0]=2 10 B12R1.16 O=C([C@H]1CC[C@@H](N)CC1)OCC AK110039 [0,0,0,1,0,0|1,0,0]=2 11 B12R1.16 O=C([C@H]1CC[C@@H](N)CC1)OCC AK144829 [0,0,0,1,0,0|1,0,0]=2 12 B12R1.16 O=C([C@H]1CC[C@H](N)CC1)OCC AK110272 [0,0,0,1,0,0|1,0,0]=2 13 B12R1.16 O=C([C@H]1CC[C@H](N)CC1)OCC AK151173 [0,0,0,1,0,0|1,0,0]=2 14 B12R1.16 O=C([C@H]1CC[C@H](O)CC1)OCC AK316366 [0,0,0,1,0,0|1,0,0]=2 15 B12R1.308 C(OC(=O)C1C(=O)CCCC1)C AK-41453 [0,0,0,1,0,0|1,0,1]=3 16 B12R1.308 CCOC(=O)C1=C(N)CCCC1 AK-83411 [0,0,0,1,0,0|1,0,2]=4 17 B12R1.308 CCOC(=O)C1CCNCC1=O AK-41235 [0,0,0,1,0,0|2,0,1]=4 18 B12R1.308 CCOC(=O)C1COCCC1=O AK-68860 [0,0,0,1,0,0|2,0,1]=4 19 B12R1.308 O=C(C1CNCCC1=O)OCC AK-47659 [0,0,0,1,0,0|2,0,1]=4 20 B12R1.308 O=C(C1N(C)CCCC1)OCC AK-75846 [0,0,0,1,0,0|1,0,0]=2 21 B12R1.308 O=C([C@H]1[C@@H](O)CCCC1)OCC AK173002 [0,0,0,1,0,0|1,0,0]=2 22 B12R1.308 O=C([C@H]1[C@H](O)CCCC1)OCC AK-81366 [0,0,0,1,0,0|1,0,0]=2 23 B12R1.308 O=C1NCCCC1C(OCC)=O AK-34903 [0,0,0,1,0,0|2,0,1]=4 24 B12R1.1579 O=C(N1C(C)C(CC1)=O)OCC AK156845 [0,0,0,1,0,0|2,0,1]=4 25 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [2,0,0,0,0,0|1,0,0]=3 26 B9R0.5 NCCCCC(=O)OCC AK-41723 [2,0,0,0,0,0|1,0,0]=3 27 B9R0.5 O=C(OCC)COCCCl AK-86508 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [2,0,0,0,0,0|1,0,1]=4 31 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.37 CCC(C#N)C(OCC)=O AK113484 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [2,0,0,0,0,0|0,0,1]=3 34 B11R0.68 O=C(OC(C)C)[C@@H](N)CCSC AK111193 [1,1,0,0,0,0|2,0,0]=4 35 B11R0.155 [C@H](N)(CCCCN)C(=O)OCC AK-49745 [1,1,0,0,0,0|1,0,0]=3 36 B11R0.177 O=C(OCC)C(C)C(OCC)=O AK400182 [1,1,0,0,0,0|1,0,1]=4 37 B11R0.61 CCOC(OCC)[PH](=O)OCC AK101523 [1,1,0,0,0,0|2,0,0]=4 38 B11R0.61 O=C(OCC)C(OCC)OCC AK-41480 [1,1,0,0,0,0|1,0,0]=3 39 B13R0.1176 CCCC(C(=O)OCC)C(=O)OCC AK110795 [0,2,0,0,0,0|1,0,1]=4 40 B13R0.1176 O=C(OCC)C(OCC)C(OCC)=O AK-32472 [0,2,0,0,0,0|1,0,1]=4 41 B11R1.15 O=C(C1CC(CC1)=O)OCC AK-86296 [1,0,0,1,0,0|1,0,1]=4 42 B11R1.16 C(OC(C1CCCNC1)=O)C AK-50734 [1,0,0,1,0,0|1,0,0]=3 43 B11R1.16 C(OC(C1CCNCC1)=O)C AK-50644 [1,0,0,1,0,0|1,0,0]=3 44 B11R1.16 CCOC(=O)N1CCCCC1 AK-76918 [1,0,0,1,0,0|1,0,0]=3 45 B11R1.16 O=C(C1CCNCC1)OCC AK114998 [1,0,0,1,0,0|1,0,0]=3 46 B11R1.16 O=C(C1CCOCC1)OCC AK-55948 [1,0,0,1,0,0|1,0,0]=3 47 B11R1.16 O=C(C1CNCCC1)OCC AK-45217 [1,0,0,1,0,0|1,0,0]=3 48 B11R1.16 O=C(C1CNCCO1)OCC AK-32010 [1,0,0,1,0,0|2,0,0]=4 49 B11R1.16 O=C(C1NCCCC1)OCC AK117282 [1,0,0,1,0,0|1,0,0]=3 50 B11R1.16 O=C(C1NCCNC1)OCC AK-82337 [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|1,0,0]=3 52 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-41584 [1,0,0,1,0,0|1,0,0]=3 53 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-45083 [1,0,0,1,0,0|1,0,0]=3 54 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-50703 [1,0,0,1,0,0|1,0,0]=3 55 B11R1.16 O=C([C@H]1NCCCC1)OCC AK-97255 [1,0,0,1,0,0|1,0,0]=3 56 B11R1.819 O=C(C1(O)CCCC1)OCC AK122366 [1,0,0,1,0,0|1,0,0]=3 57 B11R1.199 C(OC(C1C(CCC1)=O)=O)C AK-47297 [1,0,0,1,0,0|1,0,1]=4 58 B11R1.199 O=C([C@H]1[C@@H](O)CCC1)OCC AK306178 [1,0,0,1,0,0|1,0,0]=3 59 B11R1.831 O=C(C1(CN)CCC1)OCC AK-51276 [1,0,0,1,0,0|1,0,0]=3 60 B11R1.22 O=C(C1CCC(CC1)=O)OC AK-82287 [1,0,0,1,0,0|1,0,1]=4 61 B11R1.22 O=C(C1CCN(C)CC1)OC AK-63407 [1,0,0,1,0,0|1,0,0]=3 62 B11R1.22 O=C(C1CNC(C)CC1)OC AK103663 [1,0,0,1,0,0|1,0,0]=3 63 B11R1.22 O=C([C@H]1CC[C@@H](N)CC1)OC AK156429 [1,0,0,1,0,0|1,0,0]=3 64 B11R1.22 O=C([C@H]1CC[C@H](N)CC1)OC AK-41933 [1,0,0,1,0,0|1,0,0]=3 65 B11R1.22 O=C([C@H]1CC[C@H](N)CC1)OC AK515712 [1,0,0,1,0,0|1,0,0]=3 66 B11R1.22 O=C([C@H]1CC[C@H](O)CC1)OC AK161903 [1,0,0,1,0,0|1,0,0]=3 67 B11R1.222 O=C(C1CNCCC1O)OC AK554356 [1,0,0,1,0,0|2,0,0]=4 68 B11R1.222 O=C(C1N(C)CCNC1)OC AK-64634 [1,0,0,1,0,0|2,0,0]=4 69 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 AK-83345 [0,0,0,1,0,1|1,0,0]=3 70 B13R1.19 O=C(OCC)CC1CCC(CC1)=O AK114276 [0,0,0,1,0,1|1,0,1]=4 71 B13R1.463 O=C(C1CCNCCC1=O)OCC AK162703 [0,1,0,1,0,0|1,0,1]=4 72 B13R1.1549 C(C)OC(C1(C(OCC)=O)CC1)=O AK-50518 [0,1,0,1,0,0|1,0,1]=4 73 B13R1.1512 O=C(C1CCC(F)(F)CC1)OCC AK-42676 [0,1,0,1,0,0|1,0,0]=3 74 B13R1.1512 O=C(C1COC(C)(C)OC1)OCC AK-78473 [0,1,0,1,0,0|2,0,0]=4 75 B13R1.132 C(C)(C)OC(=O)N1CCC(CC1)O AK-44113 [0,1,0,1,0,0|2,0,0]=4 76 B13R1.452 O=C([C@H]1CC[C@H](CN)CC1)OCC AK162936 [0,1,0,1,0,0|0,0,0]=2 77 B13R1.452 O=C([C@H]1CC[C@H](CO)CC1)OCC AK-50940 [0,1,0,1,0,0|0,0,0]=2 78 B13R1.4472 O=C(C1(C#N)CCNCC1)OCC AK165800 [0,1,0,1,0,0|1,0,1]=4 79 B13R1.4446 CCOC(=O)C1(C)CCC(=O)CC1 AK-51168 [0,1,0,1,0,0|1,0,1]=4 80 B13R2.5187 O=C1OC(C2CC(C)CCC21)=O AK114254 [0,0,0,2,0,0|1,0,1]=4