0 B9R0.2 C=CCCCCCC(O)=O AK164507 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.2 CCCCCCCB(O)O AK145619 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.2 O=C(O)CCCCCCN AK-47536 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.2 OC(=O)CCCCCCBr AK-28585 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.2 OCCCCCCC(O)=O AK-29232 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.7 C#CCCCCC(O)=O AK-40047 [1,0,0,0,0,0|0,0,3]=4 7 B8R0.7 CC(O)CCCCCC AK113715 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.7 O=C(O)CCCCCN AK144762 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.7 O=C(O)CCCCCO AK-41893 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.7 O=C(O)COCCOC AK-33517 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.7 O=C([O-])CCCCCO AK142914 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,0,0,0,0,0|1,0,1]=3 15 B10R0.4 O=C(O)CCCCCCCBr AK-33752 [0,1,0,0,0,0|0,0,2]=3 16 B10R0.4 O=C(O)CCCCCCCN AK-45259 [0,1,0,0,0,0|0,0,2]=3 17 B10R0.4 O=C(O)COCCOCCN AK-33158 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.4 O=C(O)COCCOCCN AK-90200 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.74 CCCCCCCC(NN)=O AK117029 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.74 CCCCCCCC(NO)=O AK-43792 [0,1,0,0,0,0|0,0,2]=3 21 B10R0.74 COC(CCCCCCBr)=O AK-29360 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.74 O=C(OC)CCCCCCN AK-61182 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [0,1,0,0,0,0|0,0,2]=3 24 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [0,1,0,0,0,0|0,0,2]=3 25 B10R0.78 CCCCC(C)CCC(O)=O AK164469 [0,1,0,0,0,0|0,0,2]=3 26 B10R1.18 N1CCCC(C1)CC(=O)O AK-39922 [0,0,0,1,0,0|1,0,2]=4 27 B10R1.18 O1CCN(CC1)CC(=O)O AK-30449 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.18 O=C(O)CC1=CCCCC1 AK-33815 [0,0,0,1,0,0|0,0,2]=3 29 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [0,0,0,1,0,0|0,0,2]=3 30 B10R1.18 O=C(O)CC1CCNCC1 AK-35393 [0,0,0,1,0,0|1,0,2]=4 31 B10R1.18 O=C(O)CC1CCOCC1 AK-44841 [0,0,0,1,0,0|1,0,2]=4 32 B10R1.18 O=C(O)CN1CCOCC1 AK-50223 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.39 O=C(C1=CC=NN1CC)O AK-83430 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.39 O=C(C1=CN=CN1CC)O AK118722 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,0,0,1,0,0|1,0,2]=4 36 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [0,0,0,1,0,0|1,0,2]=4 38 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [0,0,0,1,0,0|1,0,2]=4 40 B10R1.61 O=C([C@H]1NCCO[C@@H]1C)O AK157073 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [0,0,0,1,0,0|1,0,2]=4 42 B10R1.66 O=C(O)CCC1CCCC1 AK-45246 [0,0,0,1,0,0|0,0,2]=3 43 B10R1.66 O=C(O)CCN1CCCC1 AK118044 [0,0,0,1,0,0|1,0,2]=4 44 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,0,0,1,0,0|1,0,2]=4 45 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,0,0,1,0,0|0,0,2]=3 46 B7R0.1 C=CCCCCCBr AK-40908 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.1 C=CCCCCNC AK142907 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.4 C#CCCCC(O)=O AK112298 [2,0,0,0,0,0|0,0,2]=4 49 B7R0.4 C(CCC#N)C(O)=O AK-40359 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.4 CCCCCB(O)O AK-46118 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.4 COCCCC(O)=O AK-76729 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.4 NC(OCCCC)=O AK116656 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.4 O=C(O)CCCCBr AK113954 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.4 O=C(O)CCCCCl AK139351 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.4 O=C(O)CCCCO AK198817 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.4 O=C(O)\C=C\OCC AK-46090 [2,0,0,0,0,0|1,0,0]=3 57 B9R0.4 O=C(O)C[C@@H](N)CCSC AK486956 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [1,1,0,0,0,0|0,0,1]=3 60 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [1,1,0,0,0,0|0,0,1]=3 61 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [1,1,0,0,0,0|0,0,1]=3 62 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.48 CCOC(=O)/C=C/C(O)=O AK-48066 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.55 CC(=O)CCCCC(O)=O AK-48369 [1,1,0,0,0,0|0,0,2]=4 68 B11R0.40 CCCCCC\C=C\C(OC)=O AK112231 [0,2,0,0,0,0|0,0,0]=2 69 B11R0.42 CCCCCCC[C@H](N)C(O)=O AK-58077 [0,2,0,0,0,0|0,0,2]=4 70 B11R0.46 CCCCCC(C)CCC(O)=O AK112837 [0,2,0,0,0,0|0,0,2]=4 71 B11R0.46 O=C(O)CCN(C)CCCCC AK-35893 [0,2,0,0,0,0|0,0,2]=4 72 B11R0.148 OC(=O)CCCCCCCCBr AK-49777 [0,2,0,0,0,0|0,0,2]=4 73 B11R0.148 OCCCCCCCCC(O)=O AK-77678 [0,2,0,0,0,0|0,0,2]=4 74 B11R0.31 CC(C)(C)CCCCCC(O)=O AK116933 [0,2,0,0,0,0|0,0,2]=4 75 B11R0.164 CCCCC(CC)CCC(O)=O AK-60980 [0,2,0,0,0,0|0,0,2]=4 76 B9R1.12 CCCCC1=CC=CS1 AK142166 [1,0,0,1,0,0|0,1,1]=4 77 B9R1.12 CCOCC1=CC=CO1 AK119688 [1,0,0,1,0,0|1,0,1]=4 78 B9R1.12 N#C\C=C\C1CCCC1 AK175284 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.50 O=C1CCCCCCC1 AK-96432 [1,0,0,1,0,0|0,0,2]=4 80 B9R1.50 O=C1NCCCCCC1 AK-84407 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.6 CC(C1CCCCC1)=O AK110444 [1,0,0,1,0,0|1,0,1]=4 82 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.6 O=C(C1CCCCC1)O AK-73017 [1,0,0,1,0,0|0,0,1]=3 86 B9R1.6 O=C(C1CCNCC1)O AK-47605 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.6 O=C(C1CNCCC1)O AK-35333 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.6 O=C(C1COCCC1)O AK-65298 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.6 O=C(C1NCCCC1)O AK-35539 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.6 O=C(C1NCCCC1)O AK126108 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.6 OB(C1=CCCCC1)O AK-36781 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [1,0,0,1,0,0|0,0,0]=2 97 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.13 O1CCC(C1)CC(=O)O AK-37736 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [1,0,0,1,0,0|0,0,1]=3 100 B9R1.13 O=C(O)C[C@@H]1NCCC1 AK-80502 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.13 O=C(O)C[C@H]1NCCC1 AK-80500 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.13 OC(=O)CN1CCCC1 AK109942 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.13 [C@@H]1(CC(O)=O)CCCN1 AK-68480 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.41 CN1CCC[C@H]1C(=O)O AK-46644 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.41 O=C(C1N(C)CCC1)O AK125185 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.41 O=C(C1N(C)CCC1)O AK543096 [1,0,0,1,0,0|1,0,1]=4 107 B9R1.41 O=C([C@@H]1N(C)CCC1)O AK165548 [1,0,0,1,0,0|1,0,1]=4 108 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [1,0,0,1,0,0|1,0,1]=4 109 B9R1.41 O=C([C@H]1N(C)CCC1)O AK-50484 [1,0,0,1,0,0|1,0,1]=4 110 B11R1.27 O=C1OC(CCCCC)CC1 AK551064 [0,1,0,1,0,0|0,0,2]=4 111 B11R1.91 O=C(O)CCC1CCCCC1 AK116675 [0,1,0,1,0,0|0,0,2]=4 112 B11R1.91 O=C(O)CCN1CCCCC1 AK-34442 [0,1,0,1,0,0|0,0,2]=4 113 B11R1.91 O=C(O)\C=C\C1CCCCC1 AK-79295 [0,1,0,1,0,0|0,0,0]=2 114 B11R1.77 O=C(O)C[C@H](N)C1CCCC1 AK143297 [0,1,0,1,0,0|0,0,2]=4 115 B11R1.928 O=C(O)CC1(N)CCCCC1 AK-39323 [0,1,0,1,0,0|0,0,2]=4 116 B11R1.20 N[C@H]1CC[C@H](CC(O)=O)CC1 AK110004 [0,1,0,1,0,0|0,0,2]=4 117 B11R1.20 O=C(O)CC1CCC(O)CC1 AK141945 [0,1,0,1,0,0|0,0,2]=4 118 B11R1.25 O=C(OC)CNC1CCCC1 AK-47989 [0,1,0,1,0,0|1,0,1]=4 119 B11R1.35 O=C(O)[C@@H](N)CC1CCCC1 AK-93387 [0,1,0,1,0,0|0,0,2]=4 120 B11R1.36 CC(C1CCCCC1)C(O)=O AK125718 [0,1,0,1,0,0|0,0,2]=4 121 B11R1.36 O=C(O)C(N)C1CCCCC1 AK-42709 [0,1,0,1,0,0|0,0,2]=4 122 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK-46700 [0,1,0,1,0,0|0,0,2]=4 123 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK162697 [0,1,0,1,0,0|0,0,2]=4 124 B11R1.36 O=C(O)[C@H](N)C1CCCCC1 AK-76429 [0,1,0,1,0,0|0,0,2]=4 125 B11R1.36 [C@@H](N)(C1CCCCC1)C(O)=O AK-87852 [0,1,0,1,0,0|0,0,2]=4 126 B11R2.10 O=C1C=C2CNCCC2S1 AK-32304 [0,0,0,2,0,0|1,1,0]=4