0 B8R0.7 C#CCCCCC(O)=O AK-40047 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.7 O=C(O)CCCCCN AK144762 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.7 O=C(O)CCCCCO AK-41893 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.7 O=C([O-])CCCCCO AK142914 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C=CCCCCCBr AK-40908 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 C=CCCCCNC AK142907 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 C#CCCCC(O)=O AK112298 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.4 C(CCC#N)C(O)=O AK-40359 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CC(OCCCCl)=O AK167628 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.4 COCCCC(O)=O AK-76729 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 NC(OCCCC)=O AK116656 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 O=C(O)CCCCBr AK113954 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 O=C(O)CCCCCl AK139351 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 O=C(O)CCCCO AK198817 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.2 C=CCCCCCC(O)=O AK164507 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.46 O=C(OC)CCCCCBr AK113951 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.46 O=C(OC)CCCCCN AK-47079 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.47 O=C(O)[C@@H](N)CSCC=C AK106112 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.47 O=C(O)[C@H](N)CSCC=C AK106122 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.55 CC(=O)CCCCC(O)=O AK-48369 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.6 CC(C1CCCCC1)=O AK110444 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [0,0,0,1,0,0|0,0,2]=3 26 B9R1.13 CC(N[C@@H]1CNCC1)=O AK-87500 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.13 CC(N[C@H]1CNCC1)=O AK-57730 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.41 CC(=O)N1CCNC1=O AK-81684 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,0,0,1,0,0|1,0,2]=4 34 B6R0.6 C=CCCCCBr AK-48086 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.6 C\C=C\CCCO AK-46431 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.6 ClCCCCC=O AK110863 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.6 O=CCCCCO AK-40206 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 CC(OCCBr)=O AK165045 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.4 NC(OCCC)=O AK116320 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.4 O=C(O)CCCCl AK113749 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 O=C(O)CCCN AK-43987 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.4 C=CCCCCCCCl AK164503 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.6 C=CC(O)CCCCC AK164470 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.5 C=CC[C@@H](N)CC(O)=O AK111359 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.21 CS(=O)(OCCCC)=O AK114028 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.28 CC(OCOC(C)=O)=O AK112071 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.28 O=C(O)CCCC(O)=O AK114297 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.55 C(C(OC)=O)CCCC(O)=O AK-46610 [0,2,0,0,0,0|2,0,0]=4 51 B10R0.55 COC(=O)CCCCC(C)=O AK102293 [0,2,0,0,0,0|1,0,1]=4 52 B8R1.5 O=C1C(CCCC1)=O AK-46655 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.22 O=C1C=CCCCC1 AK-88461 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.22 O=C1OCCCCC1 AK164169 [1,0,0,1,0,0|0,0,2]=4 55 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.4 CN1CCOC(=O)C1 AK-33826 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.4 N1CCC(CC1=O)=O AK-23571 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.4 NC1CCNC(C1)=O AK-26117 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.4 NC=1CCCC(C1)=O AK-49851 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.4 O=C1CC(CCC1)=O AK-44688 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.4 O=C1CC(COC1)=O AK-32470 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.4 O=C1NCCC(O)C1 AK-27778 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.7 O=C(C1=CCCC1)O AK-33463 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.34 CC(OC1CNC1)=O AK-71497 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.34 CC(OC1CNC1)=O AK208566 [1,0,0,1,0,0|1,0,1]=4 70 B10R1.64 CC(OC1C(NCC1)=O)=O AK146052 [0,1,0,1,0,0|1,0,0]=3 71 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [0,1,0,1,0,0|0,0,2]=4 72 B10R1.15 COC(=O)C1=CCCCC1 AK-89355 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.149 O=C(C1C(CCC1)=O)OC AK-39183 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,1,0,1,0,0|2,0,0]=4