0 B10R1.301 C[C@H]1CCCC(C)(C)C1=O AMY38174 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.3 CC1CNCC(C)C1O AM100736 [1,0,0,0,0,0|1,0,2]=4 2 B9R1.3 CC1COCC(C)C1=O AM101044 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.3 CC1COCC(C)C1N AM98454 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.3 CC1COCC(C)C1O AM98424 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.3 CC1COCC(C)C1S AM100002 [1,0,0,0,0,0|1,1,1]=4 6 B9R1.3 CN1CCCN(C)C1=O AMY12538 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.3 C[C@H]1CNC[C@@H](C)N1C AMY31012 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.40 CC1(C)CNCCC1=O AMY37722 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.40 CC1(C)COCCC1=O AMY6085 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.40 CC1(C)COCC[C@@H]1N AMY33653 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.40 CC1(C)NCCNC1=O AM20090220 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.40 CN1CCNCC1(C)C AM20100044 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.40 O=C1CCNCC1(F)F AMY14717 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.66 CC1(C)C[C@@H](O)CCN1 AM806685 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.66 CC1(C)C[C@@H](O)CCO1 AMY9124 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.1322 CC1(C)CCCC(C)(C)N1[O] AMY23375 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.1 CC(C)=CCC[C@H](C)C=O AMY25518 [0,0,1,0,0,0|0,0,2]=3 19 B9R0.25 CON(C)C(=O)C(C)(C)C AM90116 [0,0,1,0,0,0|2,0,0]=3 20 B11R2.533 CC1CCC2CC1C2(C)C AMY14926 [0,0,0,1,0,0|1,0,1]=3 21 B9R1.138 CC1(C)CNC(=O)C1=O AM90031 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.138 CC1(C)COC(=O)C1=O AMY24290 [0,0,0,0,1,0|2,0,1]=4 23 B8R0.7 CC(C)CCCCCBr AM806997 [1,0,1,0,0,0|1,0,1]=4 24 B8R0.28 CC(C)CCC[C@H](C)N AMY4015 [1,0,1,0,0,0|1,0,0]=3 25 B8R0.2 CON(C)C(=O)C(C)C AM90020 [1,0,1,0,0,0|2,0,0]=4 26 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [1,0,1,0,0,0|2,0,0]=4 27 B8R0.3 CCN[C@@H](C)C(=O)OC AM20120635 [1,0,1,0,0,0|2,0,0]=4 28 B8R0.5 CCC[C@H](C)CC(C)C AMY6077 [1,0,1,0,0,0|0,0,1]=3 29 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [1,0,1,0,0,0|1,0,0]=3 30 B8R0.14 CC(C)(C)C(=O)CC#N AMY21885 [1,0,1,0,0,0|1,0,1]=4 31 B8R0.14 CC(C)(C)C(=O)OCI AMY13386 [1,0,1,0,0,0|2,0,0]=4 32 B8R0.14 CCOC(=O)C(C)(C)Br AM20100465 [1,0,1,0,0,0|2,0,0]=4 33 B8R0.13 CCC(=O)C(C)(C)C=O AM20120716 [1,0,1,0,0,0|1,0,1]=4 34 B8R0.13 COC(=O)C(C)(C)CN AMY19450 [1,0,1,0,0,0|2,0,0]=4 35 B8R0.13 COC(=O)C(C)(C)CN AMY19451 [1,0,1,0,0,0|2,0,0]=4 36 B8R0.12 CC(C)(CCO)C(=O)O AMY6100 [1,0,1,0,0,0|2,0,0]=4 37 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.4 CC1CCCC(N)C1 AM20070507 [2,0,0,0,0,0|1,0,1]=4 39 B8R1.4 CC1CNCC(C)C1 AMY3386 [2,0,0,0,0,0|1,0,1]=4 40 B8R1.4 CC1CNCC(C)N1 AM81382 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AMY21610 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AMY21742 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 AMY19631 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AMY202003236 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AM81381 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.4 C[C@H]1CNC[C@@H](C)O1 AM20100586 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.4 C[C@H]1CNC[C@H](C)N1 AMY21737 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.4 C[C@H]1CNC[C@H](C)O1 AMY202003227 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.4 C[C@H]1COC[C@H](C)N1 AM10860 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.5 CC1CCCCC1N AM804248 [2,0,0,0,0,0|1,0,1]=4 51 B8R1.5 CN1CCNCC1=O AM20100457 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.5 CN1CCNCC1=O AMY39473 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [2,0,0,0,0,0|0,0,0]=2 55 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.5 C[C@H]1COCCC1=O AM91072 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.5 N[C@H]1CCCNC1=O AMY769 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.5 O=C1CCCCC1=O AM20070526 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.72 CC1(C)CCCNC1 AMY42566 [2,0,0,0,0,0|1,0,1]=4 71 B8R1.72 CC1(C)CCNCC1 AMY21772 [2,0,0,0,0,0|1,0,1]=4 72 B8R1.72 CC1(C)CCNCC1 AMY41051 [2,0,0,0,0,0|1,0,1]=4 73 B8R1.72 CC1(C)CNCCN1 AM20110209 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.72 CC1(C)CNCCO1 AM20080363 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.72 CC1(C)CNCCO1 AMY34686 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.72 CC1(C)COCCN1 AMY21767 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.72 CC1(N)CCCCC1 AM804197 [2,0,0,0,0,0|1,0,1]=4 78 B8R1.72 CC1(O)CCCCC1 AMY25717 [2,0,0,0,0,0|1,0,1]=4 79 B10R0.98 CN(C)CCC[C@H](N)C(=O)O AMY16231 [0,1,1,0,0,0|2,0,0]=4 80 B10R1.2 CN1CCC[C@H](CO)C1=O AMY16162 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.171 CC1(C)C[C@@H](CO)CCO1 AMY202003235 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.307 CC1(C)CCCC(C)(C)N1 AM20100758 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.307 CC1(C)COCC(C)(C)N1 AMY42459 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.329 CC1CC(C)C[N+](C)(C)C1 AMY18428 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.220 CC1(C)CC[C@H](C#N)C1=O AM806459 [0,1,0,0,1,0|0,0,1]=3 86 B12R1.510 CC1(C)CC(N)CC(C)(C)N1[O] AM20080358 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.510 CN1C(C)(C)CC(O)CC1(C)C AM84817 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.194 CC(C)N1CC[C@H](N)C1=O AMY19561 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 AMY34374 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.411 COC(=O)C1(N)CCCC1 AM20100472 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.411 COC(=O)[C@@]1(C)CCNC1 AMY35335 [0,0,1,1,0,0|2,0,0]=4 92 B10R1.411 COC(=O)[C@@]1(C)CCOC1 AMY35334 [0,0,1,1,0,0|2,0,0]=4 93 B10R1.411 COC(=O)[C@]1(C)CCCN1 AM806183 [0,0,1,1,0,0|2,0,0]=4 94 B10R1.424 COC(=O)C1(C)CC(O)C1 AMY34170 [0,0,1,1,0,0|2,0,0]=4 95 B10R1.424 COC(=O)[C@]1(C)C[C@H](O)C1 AMY35202 [0,0,1,1,0,0|2,0,0]=4 96 B10R2.41 O=C1C2CCC1CNC2 AMY35145 [1,0,0,1,0,0|1,0,0]=3 97 B10R2.534 N[C@H]1CCCC2(CC2)C1 AM806496 [1,0,0,1,0,0|1,0,1]=4 98 B12R2.509 CC12CCC(C1)C(C)(C)C2=O AMY25685 [0,1,0,1,0,0|0,0,0]=2 99 B12R2.2863 BC1CC2CC(C1C)C2(C)C AMY14892 [0,1,0,1,0,0|1,0,1]=4 100 B12R2.2863 CC1C(O)CC2CC1C2(C)C AMY14854 [0,1,0,1,0,0|1,0,1]=4 101 B12R2.2863 C[C@@H]1[C@@H](O)C[C@H]2C[C@@H]1C2(C)C AMY14848 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.50 CN1CCN(C)C1=O AMY25786 [1,0,0,0,1,0|2,0,0]=4 103 B8R1.50 CN1CC[C@H](N)C1=O AMY15163 [1,0,0,0,1,0|2,0,0]=4 104 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [1,0,0,0,1,0|1,0,0]=3 105 B8R1.19 CC1(C)CCCC1=O AMY25679 [1,0,0,0,1,0|0,0,0]=2 106 B8R1.19 CC1(C)CCNC1=O AMY23821 [1,0,0,0,1,0|1,0,0]=3 107 B10R0.37 CC(C)(C)OC(=O)[C@@H](N)CO AM9604 [0,0,1,0,0,1|2,0,0]=4 108 B10R0.37 CC(C)(C)OC(=O)[C@@H](N)CO AM9605 [0,0,1,0,0,1|2,0,0]=4 109 B10R0.37 CC[C@H](Br)C(=O)OC(C)(C)C AM20120616 [0,0,1,0,0,1|1,0,0]=3 110 B10R0.37 CC[C@H](N)C(=O)OC(C)(C)C AM82430 [0,0,1,0,0,1|1,0,0]=3 111 B10R0.37 CN[C@@H](C)C(=O)OC(C)(C)C AM8893 [0,0,1,0,0,1|1,0,0]=3