0 B9R0.45 BrCCCCCCCCBr AMY11217 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 ClCCOCCOCCCl AMY9371 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 NCCCOCCCCO AMY21928 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.45 NCCNCCNCCN AMY3335 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.45 NCCOCCOCCN AMY18831 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.45 NCCOCCOCCO AMY4573 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.45 OCCCCCCCCCl AM62618 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.45 OCCNCCNCCO AM20100148 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.45 OCCOCCOCCBr AMY4497 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.45 OCCOCCOCCO AMY375 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.45 OCCSCCSCCO AMY25705 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.45 SCCOCCOCCS AMY9433 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.4 BrCCCCCCCBr AMY11216 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.4 CCCCCCCCBr AMY9377 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.4 CCCCCCCCN AMY21876 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.4 CCCCOCCCN AMY21912 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.4 CCNCCCNCC AM20070653 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.4 NCCCCCCCO AMY18876 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.4 NCCCCNCCO AMY30916 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.4 NCCCNCCCN AMY14287 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.4 OCCCCCCCBr AM20070667 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.4 OCCCCCCCO AMY22642 [1,0,0,0,0,0|3,0,0]=4 22 B10R0.71 CCCCCCCCCCN AMY21843 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.4 NCCN1CCCCC1=O AM806192 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.4 O=C1CNCCN1CCO AMY36343 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.5 NCCN1CCC[C@@H]1CO AM101556 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.5 NCCN1CCC[C@@H]1CO AM90738 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.17 BrCCC[C@H]1CCCCN1 AM90469 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.17 BrCCC[C@H]1CCCNC1 AM100963 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.17 ClCCC[C@H]1CCCCN1 AM101200 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.17 ClCCC[C@H]1CCCNC1 AM100437 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.17 ICCC[C@H]1CCCCN1 AM99908 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.17 ICCC[C@H]1CCCNC1 AM99360 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.17 NCCCC1CCCCC1 AMY23927 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.17 NCCC[C@H]1CCCCN1 AM101040 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.17 NCCC[C@H]1CCCNC1 AM100709 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.17 NCCOC1CCCCC1 AMY20121 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.17 OCCC[C@H]1CCCCN1 AM101541 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.17 OCCC[C@H]1CCCNC1 AM100426 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.17 SCCC[C@H]1CCCCN1 AM97529 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.17 SCCC[C@H]1CCCNC1 AM99471 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.78 Cl[C@H]1CCCCCCCN1 AMY32707 [0,0,0,1,0,0|3,0,0]=4 42 B7R0.1 BrCCCCCCBr AMY11215 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.1 ClCCCCCCCl AM84762 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.1 NCCCCCCO AMY18359 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.1 NCCCCCCS AMY32225 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.1 NCCCNCCBr AM20090252 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.1 NCCSSCCN AM20100373 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.1 OCCCCCCBr AMY2822 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.1 OCCCCCCCl AMY25606 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.1 OCCCNCCO AMY15136 [2,0,0,0,0,0|2,0,0]=4 51 B11R0.3 CCCCCCCCNCCN AM20130031 [0,2,0,0,0,0|2,0,0]=4 52 B11R0.3 NCCCCCCCCCCN AMY25748 [0,2,0,0,0,0|2,0,0]=4 53 B11R0.3 NCCNCCCCNCCN AMY32465 [0,2,0,0,0,0|0,0,0]=2 54 B9R1.8 BrCCC1CCNCC1 AM90686 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.8 BrCCN1CCCCO1 AM806071 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.8 BrCCN1CCOCC1 AM85767 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.8 BrCCN1CCOCC1 AMY23075 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.8 BrCC[C@H]1CCCNC1 AM100581 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.8 CCNC1CCCCC1 AM20070548 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.8 CCN[C@H]1CCCNC1 AM91373 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.8 CCO[C@@H]1CNCCO1 AMY16334 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.8 ClCCC1CCNCC1 AM90696 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.8 ClCCN1CCCCC1 AM20090146 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.8 ClCCN1CCOCC1 AM90204 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.8 ClCCN1CCOCC1 AMY15190 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.8 ClCC[C@H]1CCCNC1 AM99496 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.8 FCCN1CCNCC1 AMY23125 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.8 ICCC1CCNCC1 AM100793 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.8 ICC[C@H]1CCCNC1 AM97540 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.8 NCCC1=CCCCC1 AMY14247 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.8 NCCC1CCCCC1 AMY38665 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.8 NCCC1CCNCC1 AM101244 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.8 NCCC1CCNCC1 AMY15188 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.8 NCCC1CCOCC1 AM20100593 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.8 NCCC1CCOCC1 AM803825 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.8 NCCN1CCCCC1 AMY5277 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.8 NCCN1CCCCO1 AM806000 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.8 NCCN1CCNCC1 AM81364 [1,0,0,1,0,0|0,0,0]=2 79 B9R1.8 NCCN1CCOCC1 AMY23256 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.8 NCC[C@H]1CCCCN1 AMY21355 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.8 NCC[C@H]1CCCNC1 AM101532 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.8 OCCN1CCCCC1 AMY9422 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.8 OCCN1CCCCO1 AM806477 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.8 OCCN1CCNCC1 AM20070679 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.8 OCCN1CCOCC1 AMY9419 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.8 OCC[C@@H]1CCCCN1 AMY21751 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.8 OCC[C@@H]1COCCN1 AMY1958 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.8 OCC[C@H]1CCCCN1 AM20080368 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.8 OCC[C@H]1CCCCN1 AM20100783 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.8 OCC[C@H]1CCCCN1 AMY21750 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.8 OCC[C@H]1CCCNC1 AM101208 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.8 OCC[C@H]1CCCNC1 AM81154 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.8 SCCC1CCNCC1 AM101536 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.8 SCC[C@H]1CCCNC1 AM98083 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.12 CCNC[C@H]1CCCN1 AM91659 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.12 NCCOC1CCCC1 AMY20123 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.12 NCCOC1CCCC1 AMY20124 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.15 OCC1CCNCC1O AM100522 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.33 NCCN1CCCC1=O AMY19233 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.33 NCCN1CCNC1=O AMY26981 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.50 NC1CCCCCCC1 AMY14314 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.103 C1CNCCNCCN1 AMY31179 [1,0,0,1,0,0|0,0,0]=2 103 B9R1.103 C1CNCCNCCN1 AMY38506 [1,0,0,1,0,0|0,0,0]=2 104 B11R1.16 CN(CCN)C1CCCCC1 AMY19046 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.24 CN1CCC[C@H](NCCO)C1 AM92152 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.24 CN1CCC[C@H](NCCO)C1 AM95632 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.24 CN1CCC[C@H](NCCO)C1 AM95857 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.24 CN1CCC[C@H](OCCN)C1 AM93670 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.81 C[C@H]1CN(C)CCN1CCN AM94556 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.81 C[C@H]1CN(C)CCN1CCO AM94540 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.135 CN1CCCN(CCO)CC1 AM101000 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.180 CN1CCC[C@@H]1CNCCO AM90465 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.180 CN1CCC[C@@H]1CNCCO AM95592 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.180 CN1CCC[C@@H]1COCCN AM93522 [0,1,0,1,0,0|2,0,0]=4 115 B11R1.189 NCCN1CCC[C@H](CO)C1 AM101364 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.28 CNCCC[C@H]1CCCCN1 AM91314 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.28 CNCCC[C@H]1CCCNC1 AM91374 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.41 NCCN1CCCC[C@@H]1CO AM101365 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.109 COC[C@H]1CCCN1CCN AM101456 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.109 COC[C@H]1CCCN1CCN AM92377 [0,1,0,1,0,0|2,0,0]=4 121 B11R2.10 O[C@H]1C[C@@H]2CNCCN2C1 AMY34455 [0,0,0,2,0,0|2,0,0]=4 122 B11R2.20 C1CCC2NCCNC2C1 AMY1749 [0,0,0,2,0,0|2,0,0]=4 123 B11R2.20 C1CCN2CCNC[C@@H]2C1 AM20100147 [0,0,0,2,0,0|2,0,0]=4 124 B11R2.20 C1CCN2CCNC[C@H]2C1 AMY34459 [0,0,0,2,0,0|2,0,0]=4 125 B11R2.20 C1CN2CCOC[C@@H]2CN1 AM805884 [0,0,0,2,0,0|2,0,0]=4 126 B11R2.20 C1CN2CCOC[C@@H]2CN1 AM806423 [0,0,0,2,0,0|2,0,0]=4 127 B11R2.20 C1CN2CCOC[C@@H]2CN1 AMY35397 [0,0,0,2,0,0|2,0,0]=4 128 B11R2.238 C1CNC[C@@H](NC2CC2)C1 AM91434 [0,0,0,2,0,0|2,0,0]=4 129 B11R2.385 C1CN[C@@H](CNC2CC2)C1 AM91197 [0,0,0,2,0,0|2,0,0]=4 130 B11R2.60 NC1COC2C(N)COC12 AMY11635 [0,0,0,2,0,0|2,0,0]=4