0 B9R0.45 BrCCCCCCCCBr AMY11217 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 CCCCCCCCC=O AMY15728 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.45 NCCCOCCCCO AMY21928 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.45 NCCOCCOCCO AMY4573 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.45 OCCCCCCCCCl AM62618 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 OCCNCCNCCO AM20100148 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.45 OCCOCCOCCBr AMY4497 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.45 OCCOCCOCCO AMY375 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.45 OCCSCCSCCO AMY25705 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.4 BrCCCCCCCBr AMY11216 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.4 CCCCCCCCBr AMY9377 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.4 CCCCCCCCN AMY21876 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.4 CCCCNCCCC AM20100543 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.4 CCCCNCCCC AMY21922 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.4 CCCCOCCCC AMY14888 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.4 CCCCOCCCC AMY30969 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.4 CCCCOCCCN AMY21912 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 CCNCCCNCC AM20070653 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.4 CC\C=C/CCOC=O AM806738 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.4 COCCNCCCO AMY15137 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.4 NCCCCCCCO AMY18876 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.4 NCCCCNCCO AMY30916 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.4 OCCCCCCCBr AM20070667 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.4 OCCCCCCCO AMY22642 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.4 OCCCNCCCO AMY202100020 [1,0,0,0,0,0|2,0,1]=4 25 B10R0.1 CCOC(=O)CCCCC=O AM85368 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.1 CCOC(=O)CCCCCBr AMY18076 [0,1,0,0,0,0|2,0,0]=3 27 B10R0.1 CCOC(=O)CCCCCO AMY38458 [0,1,0,0,0,0|1,0,0]=2 28 B10R0.4 CC(C)CCCCCCCO AM20120580 [0,1,0,0,0,0|0,0,2]=3 29 B10R0.4 CCCCCCCCB(O)O AMY30008 [0,1,0,0,0,0|1,0,2]=4 30 B10R0.71 BrCCCCCCCCCBr AM20100162 [0,1,0,0,0,0|1,0,2]=4 31 B10R0.71 C=C\C=C\CCCCCCO AMY32027 [0,1,0,0,0,0|0,0,2]=3 32 B10R0.71 CCCCCCCCCCN AMY21843 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.71 ClCCCCCCCCCCl AM20100798 [0,1,0,0,0,0|1,0,2]=4 34 B10R0.71 OCCCCCCCCCBr AMY4021 [0,1,0,0,0,0|0,0,2]=3 35 B10R0.71 OCCCCCCCCCO AMY22342 [0,1,0,0,0,0|0,0,2]=3 36 B10R0.74 COC(=O)CCCCCCN AM803390 [0,1,0,0,0,0|2,0,1]=4 37 B10R0.74 COC(=O)CCCCCCN AM82449 [0,1,0,0,0,0|2,0,1]=4 38 B10R0.74 COC(=O)CCCCCCO AM62806 [0,1,0,0,0,0|1,0,1]=3 39 B10R0.91 CCCC[C@H](O)COCCO AMY33452 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.5 NCCN1CCC[C@@H]1CO AM101556 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.5 NCCN1CCC[C@@H]1CO AM90738 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.17 BrCCCC1CCNCC1 AM100582 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.17 BrCCC[C@H]1CCCNC1 AM100963 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.17 BrCCO[C@@H]1CCCCO1 AMY24778 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.17 CCCCC1CCNCC1 AM20090599 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.17 CCCCC1CCNCC1 AM807077 [0,0,0,1,0,0|2,0,1]=4 47 B10R1.17 CCNC[C@H]1CCCCN1 AM91126 [0,0,0,1,0,0|2,0,1]=4 48 B10R1.17 ClCCCC1CCNCC1 AM101279 [0,0,0,1,0,0|2,0,1]=4 49 B10R1.17 ClCCC[C@H]1CCCNC1 AM100437 [0,0,0,1,0,0|2,0,1]=4 50 B10R1.17 ICCCC1CCNCC1 AM100498 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.17 ICCC[C@H]1CCCNC1 AM99360 [0,0,0,1,0,0|2,0,1]=4 52 B10R1.17 NCCCC1CCCCC1 AMY23927 [0,0,0,1,0,0|1,0,2]=4 53 B10R1.17 NCCCC1CCNCC1 AM101377 [0,0,0,1,0,0|2,0,1]=4 54 B10R1.17 NCCC[C@H]1CCCNC1 AM100709 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.17 OCCCC1=CCC=CC1 AM804450 [0,0,0,1,0,0|0,0,2]=3 56 B10R1.17 OCCCC1CCNCC1 AM100294 [0,0,0,1,0,0|1,0,1]=3 57 B10R1.17 OCCCC1CCNCC1 AMY34788 [0,0,0,1,0,0|1,0,1]=3 58 B10R1.17 OCCCN1CCNCC1 AM804006 [0,0,0,1,0,0|2,0,1]=4 59 B10R1.17 OCCC[C@H]1CCCCN1 AM101541 [0,0,0,1,0,0|1,0,2]=4 60 B10R1.17 OCCC[C@H]1CCCNC1 AM100426 [0,0,0,1,0,0|1,0,1]=3 61 B10R1.17 OCCNC1CCOCC1 AMY6146 [0,0,0,1,0,0|2,0,1]=4 62 B10R1.17 OCCO[C@@H]1CCCCO1 AMY202100048 [0,0,0,1,0,0|2,0,1]=4 63 B10R1.17 SCCCC1CCNCC1 AM99780 [0,0,0,1,0,0|1,1,1]=4 64 B10R1.17 SCCC[C@H]1CCCNC1 AM99471 [0,0,0,1,0,0|1,1,1]=4 65 B10R1.20 OC[C@@H]1CCCC[C@H]1CO AMY5218 [0,0,0,1,0,0|1,0,2]=4 66 B7R0.1 BrCCCCCCBr AMY11215 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.1 C#CCCCCCC AMY25742 [2,0,0,0,0,0|1,0,1]=4 68 B7R0.1 C=CCCCCC=C AMY22303 [2,0,0,0,0,0|1,0,1]=4 69 B7R0.1 C=CCCCCC=O AMY2455 [2,0,0,0,0,0|0,0,2]=4 70 B7R0.1 C=CCCCCCCl AM85971 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.1 C=CCCCCCO AMY7500 [2,0,0,0,0,0|0,0,0]=2 72 B7R0.1 C=CCCCCNC AMY41147 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.1 ClCCCCCCCl AM84762 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.1 NCCCCCCO AMY18359 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.1 NCCCCCCS AMY32225 [2,0,0,0,0,0|1,1,0]=4 76 B7R0.1 OCCCCCCBr AMY2822 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.1 OCCCCCCCl AMY25606 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.1 OCCCNCCO AMY15136 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.1 OCCCOCCCl AM806608 [2,0,0,0,0,0|2,0,0]=4 80 B9R0.2 CC(=O)OCCOCCO AMY28818 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.2 CC\C=C\CCOC(C)=O AM806731 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.2 O=C(O)CCCCCCO AM20090595 [1,1,0,0,0,0|1,0,1]=4 83 B9R0.5 CCOC(=O)CCCCBr AM20080354 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.18 CCCCC(O)CCCC AMY19319 [1,1,0,0,0,0|0,0,2]=4 85 B9R0.46 COC(=O)CCCCCBr AMY17985 [1,1,0,0,0,0|2,0,0]=4 86 B9R0.46 COC(=O)CCCCCN AM20090125 [1,1,0,0,0,0|2,0,0]=4 87 B11R0.4 C=CCCCCCC(=O)OCC AM20210001 [0,2,0,0,0,0|2,0,0]=4 88 B11R0.4 CCOC(=O)CCCCCC=O AM20112003 [0,2,0,0,0,0|1,0,1]=4 89 B11R0.4 CCOC(=O)CCCCCCN AM20090397 [0,2,0,0,0,0|1,0,1]=4 90 B11R0.4 CCOC(=O)CCCCCCN AM82451 [0,2,0,0,0,0|1,0,1]=4 91 B11R0.4 CCOC(=O)CCCCCCO AM20130051 [0,2,0,0,0,0|0,0,1]=3 92 B11R0.155 CCOC(=O)[C@@H](N)CCCCN AM81965 [0,2,0,0,0,0|2,0,0]=4 93 B11R0.155 CC\C=C(/C)[C@@H](O)CCCCC AM806735 [0,2,0,0,0,0|1,0,0]=3 94 B11R0.176 CCOC(=O)CCCCC(=O)O AMY4061 [0,2,0,0,0,0|1,0,1]=4 95 B11R0.148 CC(C)CCCCCCCCO AM20120577 [0,2,0,0,0,0|0,0,2]=4 96 B11R0.148 CCC\C=C\CCCCC(=O)O AMY22527 [0,2,0,0,0,0|0,0,1]=3 97 B11R0.3 C#CCCCCCCCCCO AMY25626 [0,2,0,0,0,0|0,0,2]=4 98 B11R0.3 C=CCCCCCCCCCO AMY5942 [0,2,0,0,0,0|0,0,2]=4 99 B11R0.3 CCCCCCCCCCCO AMY5947 [0,2,0,0,0,0|0,0,2]=4 100 B9R1.8 BrCCC1CCNCC1 AM90686 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.8 BrCCC1CCOCC1 AM100848 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.8 CCNC1CCCCC1 AM20070548 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.8 CCO[C@@H]1CNCCO1 AMY16334 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.8 ClCCC1CCNCC1 AM90696 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.8 ClCCC1CCOCC1 AM100847 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.8 ICCC1CCNCC1 AM100793 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.8 ICCC1CCOCC1 AM100845 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.8 NCCC1CCCCC1 AMY38665 [1,0,0,1,0,0|1,0,1]=4 109 B9R1.8 NCCC1CCNCC1 AM101244 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.8 NCCC1CCNCC1 AMY15188 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.8 NCCC1CCOCC1 AM20100593 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.8 NCCC1CCOCC1 AM803825 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.8 OCCC1CCOCC1 AM100846 [1,0,0,1,0,0|1,0,0]=3 114 B9R1.8 OCCN1CCCCC1 AMY9422 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.8 OCCN1CCNCC1 AM20070679 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.8 OCCN1CCOCC1 AMY9419 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.8 OCC[C@@H]1C=CCCC1 AM86042 [1,0,0,1,0,0|0,0,2]=4 118 B9R1.8 OCC[C@@H]1CCCCN1 AMY21751 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.8 OCC[C@H]1CCCCN1 AM20080368 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.8 OCC[C@H]1CCCCN1 AM20100783 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.8 OCC[C@H]1CCCCN1 AMY21750 [1,0,0,1,0,0|1,0,1]=4 122 B9R1.8 OCC[C@H]1CCCNC1 AM101208 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.8 OCC[C@H]1CCCNC1 AM81154 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.8 OCC[C@H]1CCCOC1 AMY38303 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.8 SCCC1CCNCC1 AM101536 [1,0,0,1,0,0|1,1,0]=4 126 B9R1.8 SCCC1CCOCC1 AM98456 [1,0,0,1,0,0|1,1,0]=4 127 B9R1.12 CCCCC1=CCC=C1 AMY2875 [1,0,0,1,0,0|0,0,2]=4 128 B9R1.12 CCNC[C@H]1CCCN1 AM91659 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.12 N#C\C=C\C1CCCC1 AMY1240 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.12 OCCCN1CCCC1 AMY38662 [1,0,0,1,0,0|1,0,1]=4 131 B9R1.15 CCC1CCCCC1O AM20070485 [1,0,0,1,0,0|0,0,1]=3 132 B9R1.15 CN1CCCC[C@@H]1CO AM20090174 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY928 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY929 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.17 OCCCCC1COC1 AMY32111 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.50 NC1CCCCCCC1 AMY14314 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.50 OC1CCCCCCC1 AMY39481 [1,0,0,1,0,0|0,0,1]=3 138 B9R1.89 OC[C@H]1CCCCNC1 AMY11832 [1,0,0,1,0,0|1,0,1]=4 139 B11R1.4 OCCCCO[C@@H]1CCCO1 AMY38470 [0,1,0,1,0,0|1,0,1]=4 140 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 AM20100763 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 AMY1872 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 AMY9142 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.16 NC(CCO)C1CCCNC1 AM98960 [0,1,0,1,0,0|1,0,1]=4 144 B11R1.16 N[C@@H](CCO)C1CCNCC1 AM98590 [0,1,0,1,0,0|1,0,1]=4 145 B11R1.16 OCCC(O)C1CCCNC1 AM99837 [0,1,0,1,0,0|1,0,1]=4 146 B11R1.16 OCC[C@H](O)C1CCNCC1 AM101345 [0,1,0,1,0,0|1,0,1]=4 147 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N AMY14675 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AMY14678 [0,1,0,1,0,0|2,0,0]=4 149 B11R1.28 BrCCCO[C@@H]1CCCCO1 AMY9122 [0,1,0,1,0,0|1,0,1]=4 150 B11R1.41 NCCN1CCCC[C@@H]1CO AM101365 [0,1,0,1,0,0|1,0,1]=4 151 B11R2.20 C1COC2CNCCC2C1 AM806432 [0,0,0,2,0,0|1,0,1]=4 152 B11R2.20 C1CO[C@H]2CNCC[C@@H]2C1 AM806430 [0,0,0,2,0,0|1,0,1]=4 153 B11R2.1261 C1=CC[C@@]2(CC1)CCCO2 AM804449 [0,0,0,2,0,0|0,0,0]=2 154 B11R2.1261 C1COC2(C1)CCNCC2 AM20100046 [0,0,0,2,0,0|1,0,1]=4 155 B11R2.1261 C1COC2(C1)CCNCC2 AM86021 [0,0,0,2,0,0|1,0,1]=4 156 B11R2.1261 C1COC2(C1)CCNCC2 AMY34636 [0,0,0,2,0,0|1,0,1]=4