0 B8R0.6 C=CC(CCCCC)=O AK164478 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.6 C=CC(O)CCCCC AK164470 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 BrCCCCCC#N AK-81731 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.1 C(CCCBr)CCBr AK-48407 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 C(CCCCC#C)O AK-30082 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.1 C=CCCCCCBr AK-40908 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.1 C=CCCCCNC AK142907 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.1 ICCCCCCI AK165087 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 NCCCCCCN AK129024 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.1 OCCCCCCBr AK110830 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.1 OCCCCCCCl AK-47999 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 OCCCCCCN AK-84482 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 CCCCC(O)CO AK161793 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 CC(O)CNCCO AK142435 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 CCCCCB(O)O AK-46118 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.4 COCCCC(O)=O AK-76729 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 O=C(O)CCCCBr AK113954 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 O=C(O)CCCCCl AK139351 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 O=C(O)CCCCO AK198817 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.46 CCC(C)CCCCCO AK-82137 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.46 CCCCCCC(C)CO AK158822 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.1 C(N1CCC(O)CC1)C AK-25832 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.1 OC1CCC(NC)CC1 AK141349 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.1 OC1CCC(OC)CC1 AK-93462 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.1 O[C@H]1CC[C@@H](NC)CC1 AK145421 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK-89578 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK543100 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.3 O=C1N(C)CCC[C@@H]1N AK101587 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.5 O=C1NCCCCC1N AK-77858 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.11 OC[C@@H](N)C1CCCC1 AK677837 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.89 NCC1CCCCCC1 AK110620 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.118 OC1(CN)CCOCC1 AK-54797 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.118 OC1(CO)CCNCC1 AK121898 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.118 OC1(CO)CCNCC1 AK170693 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.118 OCC1(F)CCCCC1 AK-32002 [0,0,0,1,0,0|2,0,1]=4 50 B6R0.6 BrCCCCCBr AK134932 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.6 C(CCO)CCBr AK-72934 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.6 C=CCCCCBr AK-48086 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.6 CCCNCCO AK-60790 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.6 C\C=C\CCCO AK-46431 [2,0,0,0,0,0|0,0,2]=4 55 B6R0.6 ClCCCCC=O AK110863 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.6 ClCCOCCO AK114565 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.6 FCCCCCBr AK-48229 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.6 O=CCCCCO AK-40206 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.6 OCCCCNC AK112657 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.4 CCCCB(O)O AK-44016 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.4 BrCCCCCCCBr AK109234 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.4 C(CCCCO)CCBr AK-41195 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.4 C=CCCCCCCCl AK164503 [1,1,0,0,0,0|0,0,0]=2 64 B8R0.4 OCCCCCCC#C AK-48557 [1,1,0,0,0,0|0,0,2]=4 65 B8R0.4 OCCCCCCCO AK-44723 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.7 CC(O)CCCCCC AK113715 [1,1,0,0,0,0|0,0,2]=4 67 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,1,0,0,0,0|0,0,2]=4 68 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.7 O=C(O)CCCCCN AK144762 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.7 O=C(O)CCCCCO AK-41893 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.7 O=C([O-])CCCCCO AK142914 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [1,1,0,0,0,0|2,0,0]=4 75 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.8 O=C([O-])C(O)CCSC AK109150 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [1,1,0,0,0,0|1,0,1]=4 78 B10R0.65 CCC(O)(C)CCCC(C)C AK-81962 [0,2,0,0,0,0|0,0,2]=4 79 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [0,2,0,0,0,0|2,0,0]=4 80 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.2 BrCC1CCCCC1 AK-34379 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.2 ICC1CCCCC1 AK126313 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.2 N#CC1CCCCC1 AK117259 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.2 NNC1CCCCC1 AK-51695 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.2 OCC1CCCCC1 AK-47687 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.2 ONC1CCCCC1 AK113259 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.2 ONC1CCCCC1 AK118974 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.5 FC1CCCCC1=O AK-79364 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.5 NC1CCCCC1=O AK110393 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.5 O=C1C(C)CNCC1 AK-35717 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.5 O=C1C(C)CNCC1 AK-44679 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.8 NCCC1CCCC1 AK-84118 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.11 O=C1C(CC)CCC1 AK112291 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.11 O=C1C(CO)CCC1 AK146211 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.11 O=C1N(CC)CCC1 AK106210 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.22 C=C1OCCCCO1 AK154780 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.22 N1CCCC(CC1)=O AK-26041 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.22 O=C1C=CCCCC1 AK-88461 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.22 O=C1OCCCCC1 AK164169 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.49 C/1=C/CC\C=C/CC1 AK-32988 [1,0,0,1,0,0|0,0,2]=4 103 B8R1.49 C/1=C/CC\C=C/CC1 AK109339 [1,0,0,1,0,0|0,0,2]=4 104 B8R1.49 C/1=C/CC\C=C/CC1 AK112792 [1,0,0,1,0,0|0,0,2]=4 105 B8R1.49 C/1=C/CC\C=C/CC1 AK114035 [1,0,0,1,0,0|0,0,2]=4 106 B8R1.52 NCC1(CCCC1)O AK-70915 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.4 NC1CCCC(C1)O AK-36106 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.7 O=C(C1CCCC1)O AK-39169 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.7 OB(C1CCCC1)O AK-61891 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.34 O=C(O)CC1CCC1 AK-76669 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.72 CC1(CCOCC1)O AK-31507 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.72 OC1(C)CCCCC1 AK161821 [1,0,0,1,0,0|0,0,1]=3 116 B8R1.72 OC1(C)CCNCC1 AK-79153 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.72 OC1(O)CCNCC1 AK109336 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.21 CCCCCC1=CC=CS1 AK117060 [0,1,0,1,0,0|0,1,1]=4 119 B10R1.23 O=C(O)C(N)C1CCCC1 AK-88092 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.23 O=C(O)[C@@H](N)C1CCCC1 AK-24337 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.23 O=C(O)[C@H](N)C1CCCC1 AK-87854 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,1,0,1,0,0|2,0,0]=4 125 B10R2.109 C=CC1CC2OC2CC1 AK117061 [0,0,0,2,0,0|2,0,0]=4 126 B10R2.99 OCC1C2CC(C=C2)C1 AK-87961 [0,0,0,2,0,0|2,0,0]=4