0 B7R0.1 OCCCCCCCl AC-74167 [1,0,0,0,0,0|1,0,2]=4 1 B7R0.4 CC(=O)CCCCBr AC-77132 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.2 CN1CCCC(C#N)C1 AC-59869 [0,0,0,1,0,0|2,0,1]=4 3 B9R1.2 CN1CCCC(CN)C1 AC-24638 [0,0,0,1,0,0|2,0,1]=4 4 B9R1.2 CN1CCCC(CO)C1 AC-31526 [0,0,0,1,0,0|1,0,2]=4 5 B9R1.6 CC(Br)C1CCCCC1 AC-81077 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.6 CC(C)C1CCNCC1 AC-84087 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.6 CC(C)C1CNCCO1 AC-39790 [0,0,0,1,0,0|1,0,2]=4 8 B9R1.6 CC(C)C1COCCN1 AC-39782 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.6 CN(C)C1CCCNC1 AC-19406 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.7 CN1CCC(CCN)C1 AC-81384 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.13 CC(N)CC1CCCC1 AC-85698 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.13 CN(C)CC1CCCN1 AC-95243 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.13 CN(C)CC1CCNC1 AC-93184 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.40 CC1(C)CCCCC1=O AC-42927 [0,0,0,1,0,0|0,0,0]=1 15 B9R1.40 CC1(C)CNCCC1O AC-80377 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.40 CC1(C)COCCC1=O AC-79915 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.40 CC1(C)COCCC1N AC-92848 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.40 CC1(C)NCCNC1=O AC-52514 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.40 CN1CCNCC1(C)C AC-88258 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.40 O=C1NCCCC1(Br)Br AC-77406 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.41 CC(=O)C1CCCC1=O AC-85351 [0,0,0,1,0,0|1,0,1]=3 22 B9R1.41 CC(=O)C1CCOC1=O AC-22364 [0,0,0,1,0,0|2,0,1]=4 23 B6R0.6 BrCCCCCBr AC-23026 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 CN(C)CCCCl AC-23395 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.28 CN(C)CCCC(=O)O AC-51576 [1,1,0,0,0,0|1,0,0]=3 26 B8R1.2 BrCC1CCCCC1 AC-76811 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.2 N#CC1CCCCC1 AC-27209 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.2 NCC1CCCCC1 AC-35085 [1,0,0,1,0,0|1,0,1]=4 29 B8R1.2 NNC1CCCCC1 AC-43570 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.2 NNC1CCCCC1 AC-87528 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.2 O=CC1CCCCO1 AC-93347 [1,0,0,1,0,0|1,0,0]=3 32 B8R1.2 O=CN1CCOCC1 AC-23730 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.2 ONC1CCCCC1 AC-86419 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.5 CC1COCCC1=O AC-71971 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.5 CC1CSCCC1=O AC-88127 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.5 CC1NCCCC1=O AC-91259 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.5 CC1NCCNC1=O AC-43070 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.5 CN1CCNCC1=O AC-31378 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.5 O=C1CCCCC1=O AC-75172 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.5 O=C1CCOCC1F AC-40744 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.5 O=C1NCCCC1Br AC-80099 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.5 O=C1NCCCC1O AC-80821 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.5 O=C1OCCCC1Br AC-91315 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.5 O=C1OCCCC1O AC-79460 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.8 NCCC1CCCC1 AC-27258 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.8 NOCC1CCCC1 AC-95371 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.8 OCCC1CCCC1 AC-27271 [1,0,0,1,0,0|0,0,2]=4 48 B8R1.11 N#CC1CCCC1=O AC-17940 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.22 O=C1CCCCNC1 AC-81448 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.1 CN1CCC(CN)C1 AC-58269 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.4 CC1CC(=O)CCO1 AC-40753 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.4 CC1CC(O)CCN1 AC-91898 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.4 CC1CCNC(C)C1 AC-79794 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.4 CC1CCOC(=O)C1 AC-96315 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.4 CC1CNCC(=O)N1 AC-41442 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.4 CC1CNCC(C)C1 AC-76556 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.4 CN1CCCC(=O)C1 AC-84159 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.4 CN1CCCC(Br)C1 AC-84476 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.4 CN1CCCC(N)C1 AC-75975 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.4 CN1CCOC(=O)C1 AC-91581 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.4 NC1CCCC(N)C1 AC-27333 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.4 NC1CCCC(O)C1 AC-32513 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.4 NC1CCCC(O)C1 AC-72120 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.4 NC1CCNC(=O)C1 AC-24692 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.4 NC1CCNC(=O)C1 AC-80838 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AC-81874 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.4 N[C@H]1CCC[C@@H](N)C1 AC-35134 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 O=C1CC(O)CCN1 AC-65410 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.6 CN1CC(CCO)C1 AC-96500 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.7 CC(N)C1CCCC1 AC-75897 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.19 CC1(C)CCCC1=O AC-92916 [1,0,0,1,0,0|0,0,0]=2 72 B8R1.19 CC1(C)CCNC1=O AC-76535 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.35 CC(C)CNC1CC1 AC-72017 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.72 CC1(C)CNCCN1 AC-40150 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.72 CC1(O)CCCCC1 AC-82882 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.13 CC(C)C1CCC(O)CC1 AC-88467 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.54 NC1CCN(CC(=O)O)C1 AC-91509 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.54 O=C(O)CN1CCC(O)C1 AC-86503 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.38 CC1(C)NCCCC1C#N AC-91379 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.38 O=CC1CCCCC1(F)F AC-94165 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.39 CC(=O)N1CCCC1C=O AC-88781 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.61 CC(=O)C1CCCCC1=O AC-22370 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.61 CC(=O)C1CCCNC1=O AC-94359 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.61 CC(=O)N1CCCCC1=O AC-86688 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.61 CC(C)N1CCNCC1=O AC-72047 [0,1,0,1,0,0|1,0,0]=3 86 B10R1.61 CC(C)N1CCNCC1=O AC-85138 [0,1,0,1,0,0|1,0,0]=3 87 B10R1.65 O=C1CCCC1C(F)(F)F AC-96391 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.15 CC(CO)C1CCCCC1 AC-85440 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.149 COC(=O)C1CCCC1=O AC-14637 [0,1,0,1,0,0|1,0,1]=4 90 B10R1.113 CC(C)C1CC(=O)CCN1 AC-89507 [0,1,0,1,0,0|1,0,0]=3 91 B10R1.113 CN1CCCC(C(=O)O)C1 AC-44887 [0,1,0,1,0,0|1,0,0]=3 92 B10R1.113 CN1CCOC(C(=O)O)C1 AC-44885 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.113 NC1CCCC(C(=O)O)C1 AC-24444 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 AC-81150 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 AC-80481 [0,1,0,1,0,0|1,0,0]=3 96 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 AC-35029 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.114 CC1(C)C(=O)CCCC1=O AC-89327 [0,1,0,1,0,0|0,0,1]=3 98 B10R1.128 CC1(C)CNCC1C(=O)O AC-79869 [0,1,0,1,0,0|1,0,0]=3 99 B10R2.71 O=C1CC2CCC(C1)N2 AC-64301 [0,0,0,2,0,0|1,0,0]=3 100 B10R2.408 C1CC2CNCC(C1)C2 AC-83442 [0,0,0,2,0,0|1,0,1]=4