0 B9R0.45 BrCCCCCCCCBr AMY11217 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.45 C#CCOCCOCCO AM804281 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 C=CCCCCCCC=C AM84562 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.45 CCCCCCCCC=O AMY15728 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.45 ClCCOCCOCCCl AMY9371 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.45 NCCCOCCCCO AMY21928 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.45 NCCNCCNCCN AMY3335 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.45 NCCOCCOCCN AMY18831 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.45 NCCOCCOCCO AMY4573 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.45 OCCCCCCCCCl AM62618 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.45 OCCNCCNCCO AM20100148 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.45 OCCOCCOCCBr AMY4497 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.45 OCCOCCOCCO AMY375 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.45 OCCSCCSCCO AMY25705 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.45 SCCOCCOCCS AMY9433 [0,0,0,0,0,0|3,1,0]=4 15 B8R0.4 BrCCCCCCCBr AMY11216 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.4 CCCCCCCCBr AMY9377 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.4 CCCCCCCCN AMY21876 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.4 CCCCNCCCC AM20100543 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.4 CCCCNCCCC AMY21922 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.4 CCCCOCCCC AMY14888 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.4 CCCCOCCCC AMY30969 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.4 CCCCOCCCN AMY21912 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.4 CCNCCCNCC AM20070653 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.4 COCCNCCCO AMY15137 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.4 COCCNCCOC AMY734 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.4 NCCCCCCCO AMY18876 [1,0,0,0,0,0|1,0,0]=2 27 B8R0.4 NCCCCNCCO AMY30916 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.4 NCCCNCCCN AMY14287 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.4 OCCCCCCCBr AM20070667 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.4 OCCCCCCCO AMY22642 [1,0,0,0,0,0|1,0,0]=2 31 B8R0.4 OCCCNCCCO AMY202100020 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.1 CCOC(=O)CCCCCBr AMY18076 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.1 CCOC(=O)CCCCCO AMY38458 [0,1,0,0,0,0|1,0,1]=3 34 B10R0.4 CC(C)CCCCCCC=O AM20120586 [0,1,0,0,0,0|0,0,2]=3 35 B10R0.4 CC(C)CCCCCCCO AM20120580 [0,1,0,0,0,0|0,0,0]=1 36 B10R0.4 CCCCCCCCB(O)O AMY30008 [0,1,0,0,0,0|1,0,0]=2 37 B10R0.4 CCCCCCCOC(=O)Cl AMY3945 [0,1,0,0,0,0|1,0,2]=4 38 B10R0.4 CCCCCCOCC(=O)O AMY3242 [0,1,0,0,0,0|1,0,1]=3 39 B10R0.4 O=C(O)CCCCCCCBr AMY31536 [0,1,0,0,0,0|1,0,1]=3 40 B10R0.4 O=C(O)CCCCCCCO AMY5109 [0,1,0,0,0,0|1,0,1]=3 41 B10R0.71 BrCCCCCCCCCBr AM20100162 [0,1,0,0,0,0|1,0,0]=2 42 B10R0.71 C=C\C=C\CCCCCCO AMY32027 [0,1,0,0,0,0|0,0,3]=4 43 B10R0.71 CCCCCCCCCCN AMY21843 [0,1,0,0,0,0|1,0,0]=2 44 B10R0.71 ClCCCCCCCCCCl AM20100798 [0,1,0,0,0,0|1,0,0]=2 45 B10R0.71 OCCCCCCCCCBr AMY4021 [0,1,0,0,0,0|0,0,0]=1 46 B10R0.71 OCCCCCCCCCO AMY22342 [0,1,0,0,0,0|0,0,0]=1 47 B10R0.74 COC(=O)CCCCCCN AM803390 [0,1,0,0,0,0|2,0,1]=4 48 B10R0.74 COC(=O)CCCCCCN AM82449 [0,1,0,0,0,0|2,0,1]=4 49 B10R0.74 COC(=O)CCCCCCO AM62806 [0,1,0,0,0,0|1,0,1]=3 50 B10R0.91 C#CCC[C@@H](O)CCCCC AMY22019 [0,1,0,0,0,0|1,0,1]=3 51 B10R0.91 CCCC[C@H](O)COCCO AMY33452 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.4 CCNC1CCOCC1C AM99517 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.5 NCCN1CCC[C@@H]1CO AM101556 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.5 NCCN1CCC[C@@H]1CO AM90738 [0,0,0,1,0,0|2,0,0]=3 55 B10R1.17 BrCCCC1CCNCC1 AM100582 [0,0,0,1,0,0|2,0,0]=3 56 B10R1.17 BrCCCN1CCCCO1 AM805966 [0,0,0,1,0,0|2,0,0]=3 57 B10R1.17 BrCCCN1CCOCC1 AM86452 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.17 BrCCC[C@H]1CCCCN1 AM90469 [0,0,0,1,0,0|2,0,0]=3 59 B10R1.17 BrCCC[C@H]1CCCNC1 AM100963 [0,0,0,1,0,0|2,0,0]=3 60 B10R1.17 BrCCO[C@@H]1CCCCO1 AMY24778 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.17 CCCCC1CCNCC1 AM20090599 [0,0,0,1,0,0|2,0,0]=3 62 B10R1.17 CCCCC1CCNCC1 AM807077 [0,0,0,1,0,0|2,0,0]=3 63 B10R1.17 CCNCC1CCNCC1 AM91177 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.17 CCNC[C@H]1CCCCN1 AM91126 [0,0,0,1,0,0|2,0,0]=3 65 B10R1.17 CCNC[C@H]1CCCNC1 AM91187 [0,0,0,1,0,0|3,0,0]=4 66 B10R1.17 CNCCC1CCNCC1 AM101304 [0,0,0,1,0,0|3,0,0]=4 67 B10R1.17 CNCCC1CCOCC1 AM90590 [0,0,0,1,0,0|3,0,0]=4 68 B10R1.17 CNCC[C@H]1CCCNC1 AM91410 [0,0,0,1,0,0|3,0,0]=4 69 B10R1.17 COCCC1CCNCC1 AMY15796 [0,0,0,1,0,0|3,0,0]=4 70 B10R1.17 COCC[C@H]1CCCCN1 AMY21766 [0,0,0,1,0,0|2,0,0]=3 71 B10R1.17 COCC[C@H]1CCCCN1 AMY37440 [0,0,0,1,0,0|2,0,0]=3 72 B10R1.17 ClCCCC1CCNCC1 AM101279 [0,0,0,1,0,0|2,0,0]=3 73 B10R1.17 ClCCCN1CCOCC1 AM20090628 [0,0,0,1,0,0|3,0,0]=4 74 B10R1.17 ClCCCN1CCOCC1 AMY33765 [0,0,0,1,0,0|3,0,0]=4 75 B10R1.17 ClCCC[C@H]1CCCCN1 AM101200 [0,0,0,1,0,0|2,0,0]=3 76 B10R1.17 ClCCC[C@H]1CCCNC1 AM100437 [0,0,0,1,0,0|2,0,0]=3 77 B10R1.17 ICCCC1CCNCC1 AM100498 [0,0,0,1,0,0|2,0,0]=3 78 B10R1.17 ICCC[C@H]1CCCCN1 AM99908 [0,0,0,1,0,0|2,0,0]=3 79 B10R1.17 ICCC[C@H]1CCCNC1 AM99360 [0,0,0,1,0,0|2,0,0]=3 80 B10R1.17 N#CCO[C@@H]1CCCCO1 AM806434 [0,0,0,1,0,0|2,0,1]=4 81 B10R1.17 NCCCC1CCCCC1 AMY23927 [0,0,0,1,0,0|1,0,0]=2 82 B10R1.17 NCCCC1CCNCC1 AM101377 [0,0,0,1,0,0|2,0,0]=3 83 B10R1.17 NCCCN1CCCCC1 AM9934 [0,0,0,1,0,0|2,0,0]=3 84 B10R1.17 NCCC[C@H]1CCCCN1 AM101040 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.17 NCCC[C@H]1CCCNC1 AM100709 [0,0,0,1,0,0|2,0,0]=3 86 B10R1.17 NCCOC1CCCCC1 AMY20121 [0,0,0,1,0,0|2,0,0]=3 87 B10R1.17 O=CCO[C@@H]1CCCCO1 AMY2069 [0,0,0,1,0,0|2,0,1]=4 88 B10R1.17 OCCCC1CCNCC1 AM100294 [0,0,0,1,0,0|1,0,0]=2 89 B10R1.17 OCCCC1CCNCC1 AMY34788 [0,0,0,1,0,0|1,0,0]=2 90 B10R1.17 OCCCN1CCNCC1 AM804006 [0,0,0,1,0,0|2,0,0]=3 91 B10R1.17 OCCC[C@H]1CCCCN1 AM101541 [0,0,0,1,0,0|1,0,0]=2 92 B10R1.17 OCCC[C@H]1CCCNC1 AM100426 [0,0,0,1,0,0|1,0,0]=2 93 B10R1.17 OCCNC1CCOCC1 AMY6146 [0,0,0,1,0,0|2,0,0]=3 94 B10R1.17 OCCO[C@@H]1CCCCO1 AMY202100048 [0,0,0,1,0,0|2,0,0]=3 95 B10R1.17 SCCCC1CCNCC1 AM99780 [0,0,0,1,0,0|1,1,0]=3 96 B10R1.17 SCCC[C@H]1CCCCN1 AM97529 [0,0,0,1,0,0|1,1,0]=3 97 B10R1.17 SCCC[C@H]1CCCNC1 AM99471 [0,0,0,1,0,0|1,1,0]=3 98 B10R1.20 CNC1CCCCC1NC AM20070549 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.20 CN[C@H]1CCCC[C@@H]1NC AM20070508 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.20 CN[C@H]1CCCC[C@@H]1NC AM20070518 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.20 OC[C@@H]1CCCC[C@H]1CO AMY5218 [0,0,0,1,0,0|1,0,0]=2 102 B10R1.21 CCCCCN1CCCC1 AMY25657 [0,0,0,1,0,0|2,0,0]=3 103 B10R1.21 CCNCC[C@H]1CCNC1 AM100167 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.21 CCNCC[C@H]1CCNC1 AM100192 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.21 CCNCC[C@H]1CCNC1 AM99776 [0,0,0,1,0,0|3,0,0]=4 106 B10R1.21 N#CCCNC1CCCC1 AMY5553 [0,0,0,1,0,0|2,0,1]=4 107 B10R1.21 NCCCCN1CCCC1 AMY10948 [0,0,0,1,0,0|2,0,0]=3 108 B10R1.29 CCNC[C@H]1CCCN1C AM101140 [0,0,0,1,0,0|3,0,0]=4 109 B10R1.29 CCNC[C@H]1CCCN1C AM96804 [0,0,0,1,0,0|3,0,0]=4 110 B10R1.78 Cl[C@H]1CCCCCCCN1 AMY32707 [0,0,0,1,0,0|2,0,0]=3 111 B10R1.78 O=C1CCCCCCCC1 AM20090511 [0,0,0,1,0,0|0,0,2]=3 112 B10R1.161 CNC1CCCCCCC1 AMY10583 [0,0,0,1,0,0|2,0,0]=3 113 B7R0.1 BrCCCCCCBr AMY11215 [2,0,0,0,0,0|2,0,0]=4 114 B7R0.1 C#CCCCCCC AMY25742 [2,0,0,0,0,0|0,0,2]=4 115 B7R0.1 C=CCCCCCO AMY7500 [2,0,0,0,0,0|0,0,2]=4 116 B7R0.1 CNCCCCNC AMY13612 [2,0,0,0,0,0|2,0,0]=4 117 B7R0.1 ClCCCCCCCl AM84762 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.1 NCCCCCCO AMY18359 [2,0,0,0,0,0|1,0,0]=3 119 B7R0.1 NCCCCCCS AMY32225 [2,0,0,0,0,0|1,1,0]=4 120 B7R0.1 OCCCCCCBr AMY2822 [2,0,0,0,0,0|1,0,0]=3 121 B7R0.1 OCCCCCCCl AMY25606 [2,0,0,0,0,0|1,0,0]=3 122 B7R0.1 OCCCNCCO AMY15136 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.1 OCCCOCCCl AM806608 [2,0,0,0,0,0|2,0,0]=4 124 B9R0.2 CC(C)CCCCCC=O AM20120578 [1,1,0,0,0,0|0,0,2]=4 125 B9R0.2 CCCCCCCC(=O)[O-] AMY19799 [1,1,0,0,0,0|0,0,2]=4 126 B9R0.2 CCCNCCCN(C)C AMY41317 [1,1,0,0,0,0|2,0,0]=4 127 B9R0.2 NCCCCCCC(=O)O AM20120334 [1,1,0,0,0,0|1,0,1]=4 128 B9R0.2 O=C(O)CCCCCCBr AMY10966 [1,1,0,0,0,0|1,0,1]=4 129 B9R0.2 O=C(O)CCCCCCO AM20090595 [1,1,0,0,0,0|1,0,1]=4 130 B9R0.18 CCCCC(O)CCCC AMY19319 [1,1,0,0,0,0|0,0,0]=2 131 B9R0.18 CCOCC(O)COCC AMY9373 [1,1,0,0,0,0|2,0,0]=4 132 B9R0.46 CCCCCCC(=O)NO AM806754 [1,1,0,0,0,0|1,0,1]=4 133 B11R0.4 CCOC(=O)CCCCCCN AM20090397 [0,2,0,0,0,0|1,0,1]=4 134 B11R0.4 CCOC(=O)CCCCCCN AM82451 [0,2,0,0,0,0|1,0,1]=4 135 B11R0.4 CCOC(=O)CCCCCCO AM20130051 [0,2,0,0,0,0|0,0,1]=3 136 B11R0.30 CC(C)CCCCCCC(=O)O AMY41999 [0,2,0,0,0,0|0,0,1]=3 137 B11R0.40 CCCCCCCCC(=O)NO AM806756 [0,2,0,0,0,0|0,0,1]=3 138 B11R0.42 CCCCCCC[C@H](N)C(=O)O AMY7202 [0,2,0,0,0,0|0,0,1]=3 139 B11R0.111 CC[C@H](C)CCCCCC(=O)O AM20120579 [0,2,0,0,0,0|0,0,1]=3 140 B11R0.148 CC(C)CCCCCCCC=O AM20120576 [0,2,0,0,0,0|0,0,1]=3 141 B11R0.148 CC(C)CCCCCCCCO AM20120577 [0,2,0,0,0,0|0,0,0]=2 142 B11R0.148 CCCCCCCCOC(=O)Cl AMY4096 [0,2,0,0,0,0|0,0,2]=4 143 B11R0.148 CCC\C=C\CCCCC(=O)O AMY22527 [0,2,0,0,0,0|0,0,2]=4 144 B11R0.148 O=C(O)CCCCCCCCBr AM803870 [0,2,0,0,0,0|0,0,1]=3 145 B11R0.148 O=C(O)CCCCCCCCO AM20100011 [0,2,0,0,0,0|0,0,1]=3 146 B11R0.3 BrCCCCCCCCCCBr AMY11211 [0,2,0,0,0,0|1,0,0]=3 147 B11R0.3 C#CCCCCCCCCCO AMY25626 [0,2,0,0,0,0|0,0,0]=2 148 B11R0.3 C=CCCCCCCCCC=O AMY6063 [0,2,0,0,0,0|0,0,2]=4 149 B11R0.3 C=CCCCCCCCCCBr AMY6138 [0,2,0,0,0,0|1,0,0]=3 150 B11R0.3 C=CCCCCCCCCCCl AMY6064 [0,2,0,0,0,0|1,0,0]=3 151 B11R0.3 C=CCCCCCCCCCN AMY6111 [0,2,0,0,0,0|1,0,0]=3 152 B11R0.3 C=CCCCCCCCCCO AMY5942 [0,2,0,0,0,0|0,0,0]=2 153 B11R0.3 CCCCCCCCCCCO AMY5947 [0,2,0,0,0,0|0,0,0]=2 154 B11R0.3 CCCCCCCCNCCN AM20130031 [0,2,0,0,0,0|1,0,0]=3 155 B11R0.3 ClCCCCCCCCCCCl AMY9370 [0,2,0,0,0,0|1,0,0]=3 156 B11R0.3 NCCCCCCCCCCN AMY25748 [0,2,0,0,0,0|1,0,0]=3 157 B11R0.3 NCCNCCCCNCCN AMY32465 [0,2,0,0,0,0|2,0,0]=4 158 B9R1.8 BrCCC1CCNCC1 AM90686 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.8 BrCCC1CCOCC1 AM100848 [1,0,0,1,0,0|2,0,0]=4 160 B9R1.8 BrCCN1CCCCO1 AM806071 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.8 BrCC[C@H]1CCCNC1 AM100581 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.8 CCNC1CCCCC1 AM20070548 [1,0,0,1,0,0|1,0,0]=3 163 B9R1.8 CCNC1CCNCC1 AM101052 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.8 CCNC1CCOCC1 AM100504 [1,0,0,1,0,0|2,0,0]=4 165 B9R1.8 CCN[C@H]1CCCNC1 AM91373 [1,0,0,1,0,0|2,0,0]=4 166 B9R1.8 CCO[C@@H]1CNCCO1 AMY16334 [1,0,0,1,0,0|2,0,0]=4 167 B9R1.8 CNCC1CCCCC1 AM803595 [1,0,0,1,0,0|1,0,0]=3 168 B9R1.8 CNCC1CCNCC1 AM91484 [1,0,0,1,0,0|2,0,0]=4 169 B9R1.8 CNCC1CCOCC1 AM20100143 [1,0,0,1,0,0|2,0,0]=4 170 B9R1.8 CNCC1CCOCC1 AM806274 [1,0,0,1,0,0|2,0,0]=4 171 B9R1.8 CNC[C@H]1CCCCN1 AM100614 [1,0,0,1,0,0|2,0,0]=4 172 B9R1.8 CNC[C@H]1CCCNC1 AM90573 [1,0,0,1,0,0|2,0,0]=4 173 B9R1.8 COCC1CCNCC1 AM100768 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.8 COCC1CCNCC1 AM20120325 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.8 COC[C@@H]1CCCCN1 AM807049 [1,0,0,1,0,0|2,0,0]=4 176 B9R1.8 COC[C@H]1CCCCN1 AM806273 [1,0,0,1,0,0|2,0,0]=4 177 B9R1.8 COC[C@H]1CCCCN1 AM90528 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.8 COC[C@H]1CCCNC1 AM101145 [1,0,0,1,0,0|2,0,0]=4 179 B9R1.8 COC[C@H]1CCCNC1 AM90790 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.8 ClCCC1CCNCC1 AM90696 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.8 ClCCC1CCOCC1 AM100847 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.8 ClCCN1CCCCC1 AM20090146 [1,0,0,1,0,0|2,0,0]=4 183 B9R1.8 ClCC[C@H]1CCCNC1 AM99496 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.8 ICCC1CCNCC1 AM100793 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.8 ICCC1CCOCC1 AM100845 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.8 ICC[C@H]1CCCNC1 AM97540 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.8 NCCC1CCCCC1 AMY38665 [1,0,0,1,0,0|1,0,0]=3 188 B9R1.8 NCCC1CCNCC1 AM101244 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.8 NCCC1CCNCC1 AMY15188 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.8 NCCC1CCOCC1 AM20100593 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.8 NCCC1CCOCC1 AM803825 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.8 NCCN1CCCCC1 AMY5277 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.8 NCCN1CCCCO1 AM806000 [1,0,0,1,0,0|2,0,0]=4 194 B9R1.8 NCC[C@H]1CCCCN1 AMY21355 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.8 NCC[C@H]1CCCNC1 AM101532 [1,0,0,1,0,0|2,0,0]=4 196 B9R1.8 NNCC1CCCCC1 AMY202003293 [1,0,0,1,0,0|2,0,0]=4 197 B9R1.8 O=CCC1CCCCC1 AMY24044 [1,0,0,1,0,0|0,0,2]=4 198 B9R1.8 OCCC1CCOCC1 AM100846 [1,0,0,1,0,0|1,0,0]=3 199 B9R1.8 OCCN1CCCCC1 AMY9422 [1,0,0,1,0,0|1,0,0]=3 200 B9R1.8 OCCN1CCCCO1 AM806477 [1,0,0,1,0,0|2,0,0]=4 201 B9R1.8 OCCN1CCNCC1 AM20070679 [1,0,0,1,0,0|2,0,0]=4 202 B9R1.8 OCCN1CCOCC1 AMY9419 [1,0,0,1,0,0|2,0,0]=4 203 B9R1.8 OCC[C@@H]1C=CCCC1 AM86042 [1,0,0,1,0,0|0,0,2]=4 204 B9R1.8 OCC[C@@H]1CCCCN1 AMY21751 [1,0,0,1,0,0|1,0,0]=3 205 B9R1.8 OCC[C@@H]1COCCN1 AMY1958 [1,0,0,1,0,0|2,0,0]=4 206 B9R1.8 OCC[C@H]1CCCCN1 AM20080368 [1,0,0,1,0,0|1,0,0]=3 207 B9R1.8 OCC[C@H]1CCCCN1 AM20100783 [1,0,0,1,0,0|1,0,0]=3 208 B9R1.8 OCC[C@H]1CCCCN1 AMY21750 [1,0,0,1,0,0|1,0,0]=3 209 B9R1.8 OCC[C@H]1CCCNC1 AM101208 [1,0,0,1,0,0|1,0,0]=3 210 B9R1.8 OCC[C@H]1CCCNC1 AM81154 [1,0,0,1,0,0|1,0,0]=3 211 B9R1.8 OCC[C@H]1CCCOC1 AMY38303 [1,0,0,1,0,0|1,0,0]=3 212 B9R1.8 SCCC1CCNCC1 AM101536 [1,0,0,1,0,0|1,1,0]=4 213 B9R1.8 SCCC1CCOCC1 AM98456 [1,0,0,1,0,0|1,1,0]=4 214 B9R1.8 SCC[C@H]1CCCNC1 AM98083 [1,0,0,1,0,0|1,1,0]=4 215 B9R1.12 CCNC[C@H]1CCCN1 AM91659 [1,0,0,1,0,0|2,0,0]=4 216 B9R1.12 CCNC[C@H]1CCNC1 AM101568 [1,0,0,1,0,0|2,0,0]=4 217 B9R1.12 CNCC[C@H]1CCNC1 AM100185 [1,0,0,1,0,0|2,0,0]=4 218 B9R1.12 CNCC[C@H]1CCNC1 AM100204 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.12 CNCC[C@H]1CCNC1 AM99270 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.12 ClCCCC1OCCO1 AM20080476 [1,0,0,1,0,0|2,0,0]=4 221 B9R1.12 ClCCCN1CCCC1 AM804073 [1,0,0,1,0,0|2,0,0]=4 222 B9R1.12 NCCCN1CCCC1 AM20090247 [1,0,0,1,0,0|2,0,0]=4 223 B9R1.12 NCCOC1CCCC1 AMY20123 [1,0,0,1,0,0|2,0,0]=4 224 B9R1.12 NCCOC1CCCC1 AMY20124 [1,0,0,1,0,0|2,0,0]=4 225 B9R1.12 OCCCN1CCCC1 AMY38662 [1,0,0,1,0,0|1,0,0]=3 226 B9R1.15 CCC1CCCCC1O AM20070485 [1,0,0,1,0,0|0,0,0]=2 227 B9R1.15 CN1CCCC[C@@H]1CN AMY21400 [1,0,0,1,0,0|2,0,0]=4 228 B9R1.15 CN1CCCC[C@@H]1CO AM20090174 [1,0,0,1,0,0|1,0,0]=3 229 B9R1.15 CNC1CCOCC1C AM99294 [1,0,0,1,0,0|2,0,0]=4 230 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY928 [1,0,0,1,0,0|1,0,0]=3 231 B9R1.15 CN[C@H]1CCCC[C@@H]1O AMY929 [1,0,0,1,0,0|1,0,0]=3 232 B9R1.15 OCC1CCNCC1O AM100522 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.15 OCC1CNCCC1O AM101136 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.17 OCCCCC1COC1 AMY32111 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.33 CN1CCC[C@@H]1CCN AMY822 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.33 CN1CCC[C@H]1CCN AMY19244 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.33 CNC[C@H]1CCCN1C AM100383 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.33 CNC[C@H]1CCCN1C AM100550 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.50 NC1CCCCCCC1 AMY14314 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.50 O=C1CCCCCCC1 AMY3996 [1,0,0,1,0,0|0,0,2]=4 241 B9R1.50 OC1CCCCCCC1 AMY39481 [1,0,0,1,0,0|0,0,0]=2 242 B9R1.89 NNC1CCCCCC1 AM9802 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.89 O=CC1CCCCCC1 AMY21681 [1,0,0,1,0,0|0,0,2]=4 244 B9R1.89 OC[C@H]1CCCCNC1 AMY11832 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.89 OC[C@H]1CNCCCO1 AMY20125 [1,0,0,1,0,0|2,0,0]=4 246 B11R1.4 OCCCCO[C@@H]1CCCO1 AMY38470 [0,1,0,1,0,0|1,0,0]=3 247 B11R1.16 CN(CCN)C1CCCCC1 AMY19046 [0,1,0,1,0,0|2,0,0]=4 248 B11R1.16 NC(CCO)C1CCCCN1 AM98142 [0,1,0,1,0,0|1,0,0]=3 249 B11R1.16 NC(CCO)C1CCCNC1 AM98960 [0,1,0,1,0,0|1,0,0]=3 250 B11R1.16 N[C@@H](CCO)C1CCNCC1 AM98590 [0,1,0,1,0,0|1,0,0]=3 251 B11R1.16 OCCC(O)C1CCCCN1 AM100792 [0,1,0,1,0,0|1,0,0]=3 252 B11R1.16 OCCC(O)C1CCCNC1 AM99837 [0,1,0,1,0,0|1,0,0]=3 253 B11R1.16 OCC[C@H](O)C1CCNCC1 AM101345 [0,1,0,1,0,0|1,0,0]=3 254 B11R1.24 CN1CCC[C@H](NCCO)C1 AM92152 [0,1,0,1,0,0|2,0,0]=4 255 B11R1.24 CN1CCC[C@H](NCCO)C1 AM95632 [0,1,0,1,0,0|2,0,0]=4 256 B11R1.24 CN1CCC[C@H](NCCO)C1 AM95857 [0,1,0,1,0,0|2,0,0]=4 257 B11R1.24 CN1CCC[C@H](OCCO)C1 AM101303 [0,1,0,1,0,0|2,0,0]=4 258 B11R1.81 C[C@H]1CN(C)CCN1CCO AM94540 [0,1,0,1,0,0|2,0,0]=4 259 B11R1.127 COC[C@H]1CCN(CCO)C1 AM94867 [0,1,0,1,0,0|2,0,0]=4 260 B11R1.135 CN1CCCN(CCO)CC1 AM101000 [0,1,0,1,0,0|2,0,0]=4 261 B11R1.180 CN1CCC[C@@H]1CNCCO AM90465 [0,1,0,1,0,0|1,0,0]=3 262 B11R1.180 CN1CCC[C@@H]1CNCCO AM95592 [0,1,0,1,0,0|1,0,0]=3 263 B11R1.180 CN1CCC[C@@H]1COCCN AM93522 [0,1,0,1,0,0|2,0,0]=4 264 B11R1.180 CN1CCC[C@@H]1COCCO AM93497 [0,1,0,1,0,0|1,0,0]=3 265 B11R1.189 CO[C@H]1CCCN(CCO)C1 AM94590 [0,1,0,1,0,0|2,0,0]=4 266 B11R1.189 CO[C@H]1CCCN(CCO)C1 AM95814 [0,1,0,1,0,0|2,0,0]=4 267 B11R1.189 CO[C@H]1CCCN(CCO)C1 AM96363 [0,1,0,1,0,0|2,0,0]=4 268 B11R1.189 NCCN1CCC[C@H](CO)C1 AM101364 [0,1,0,1,0,0|2,0,0]=4 269 B11R1.27 CN1CC[C@H](CNCCO)C1 AM90872 [0,1,0,1,0,0|2,0,0]=4 270 B11R1.27 CN1CC[C@H](COCCO)C1 AM94407 [0,1,0,1,0,0|2,0,0]=4 271 B11R1.53 CC(=O)N1CCCC[C@@H]1CO AM100444 [0,1,0,1,0,0|1,0,1]=4 272 B11R1.91 CC(C)NC[C@H]1CCCCN1 AM90691 [0,1,0,1,0,0|2,0,0]=4 273 B11R1.91 C[C@H](N)CCN1CCCCC1 AM807138 [0,1,0,1,0,0|2,0,0]=4 274 B11R1.91 O=C(O)CCC1CCCCC1 AMY3571 [0,1,0,1,0,0|0,0,1]=3 275 B11R1.91 O=C(O)CCC1CCNCC1 AM100415 [0,1,0,1,0,0|1,0,1]=4 276 B11R1.91 O=C(O)CCN1CCCCC1 AMY21698 [0,1,0,1,0,0|1,0,1]=4 277 B11R1.91 O=C(O)CC[C@H]1CCCCN1 AM100796 [0,1,0,1,0,0|1,0,1]=4 278 B11R1.91 O=C(O)CC[C@H]1CCCNC1 AM100414 [0,1,0,1,0,0|1,0,1]=4 279 B11R1.91 O=C(O)CNC1CCCCC1 AM83646 [0,1,0,1,0,0|1,0,1]=4 280 B11R1.742 O=C(O)CN1CCCCCC1 AMY21705 [0,1,0,1,0,0|1,0,1]=4 281 B11R1.17 CCNC[C@H]1CCCCN1C AM101109 [0,1,0,1,0,0|2,0,0]=4 282 B11R1.28 BrCCCO[C@@H]1CCCCO1 AMY9122 [0,1,0,1,0,0|1,0,0]=3 283 B11R1.28 CCNCCC1CCNCC1 AM91260 [0,1,0,1,0,0|2,0,0]=4 284 B11R1.28 CCNCCC1CCOCC1 AM91391 [0,1,0,1,0,0|2,0,0]=4 285 B11R1.28 CCNCC[C@H]1CCCNC1 AM101301 [0,1,0,1,0,0|2,0,0]=4 286 B11R1.28 CNCCCC1CCNCC1 AM91270 [0,1,0,1,0,0|2,0,0]=4 287 B11R1.28 CNCCCN1CCCCC1 AMY15392 [0,1,0,1,0,0|2,0,0]=4 288 B11R1.28 CNCCC[C@H]1CCCCN1 AM91314 [0,1,0,1,0,0|1,0,0]=3 289 B11R1.28 CNCCC[C@H]1CCCNC1 AM91374 [0,1,0,1,0,0|2,0,0]=4 290 B11R1.41 NCCN1CCCC[C@@H]1CO AM101365 [0,1,0,1,0,0|1,0,0]=3 291 B11R1.109 COC[C@H]1CCCN1CCN AM101456 [0,1,0,1,0,0|2,0,0]=4 292 B11R1.109 COC[C@H]1CCCN1CCN AM92377 [0,1,0,1,0,0|2,0,0]=4 293 B11R1.109 COC[C@H]1CCCN1CCO AM100743 [0,1,0,1,0,0|1,0,0]=3 294 B11R1.109 COC[C@H]1CCCN1CCO AM92845 [0,1,0,1,0,0|1,0,0]=3 295 B11R1.1 CN1CCC(NCCO)CC1 AM100964 [0,1,0,1,0,0|2,0,0]=4 296 B11R1.1 CN1CCC(OCCO)CC1 AM94579 [0,1,0,1,0,0|2,0,0]=4 297 B11R2.10 O[C@H]1C[C@@H]2CNCCN2C1 AMY34455 [0,0,0,2,0,0|2,0,0]=4 298 B11R2.20 C1CCC2CNCCC2C1 AM20070504 [0,0,0,2,0,0|1,0,0]=3 299 B11R2.20 C1CCC2NCCNC2C1 AMY1749 [0,0,0,2,0,0|2,0,0]=4 300 B11R2.20 C1CCN2CCNC[C@@H]2C1 AM20100147 [0,0,0,2,0,0|2,0,0]=4 301 B11R2.20 C1CCN2CCNC[C@H]2C1 AMY34459 [0,0,0,2,0,0|2,0,0]=4 302 B11R2.20 C1CN2CCOC[C@@H]2CN1 AM805884 [0,0,0,2,0,0|2,0,0]=4 303 B11R2.20 C1CN2CCOC[C@@H]2CN1 AM806423 [0,0,0,2,0,0|2,0,0]=4 304 B11R2.20 C1CN2CCOC[C@@H]2CN1 AMY35397 [0,0,0,2,0,0|2,0,0]=4 305 B11R2.20 C1COC2CNCCC2C1 AM806432 [0,0,0,2,0,0|1,0,0]=3 306 B11R2.20 C1CO[C@H]2CNCC[C@@H]2C1 AM806430 [0,0,0,2,0,0|1,0,0]=3 307 B11R2.565 BrB1C2CCCC1CCC2 AMY14846 [0,0,0,2,0,0|2,0,0]=4 308 B11R2.565 [Li]B1C2CCCC1CCC2 AMY14904 [0,0,0,2,0,0|2,0,0]=4 309 B11R2.164 OC[C@H]1CN2CCC1CC2 AMY19289 [0,0,0,2,0,0|1,0,0]=3 310 B11R2.1261 C1=CC[C@@]2(CC1)CCCO2 AM804449 [0,0,0,2,0,0|0,0,2]=4 311 B11R2.1261 C1CC2(CCN1)OCCO2 AM20090050 [0,0,0,2,0,0|2,0,0]=4 312 B11R2.1261 C1CCC2(C1)CCCNC2 AM806443 [0,0,0,2,0,0|2,0,0]=4 313 B11R2.1261 C1CCC2(C1)CCNCC2 AM803359 [0,0,0,2,0,0|2,0,0]=4 314 B11R2.1261 C1CCC2(C1)CCNCC2 AMY21770 [0,0,0,2,0,0|2,0,0]=4 315 B11R2.1261 C1CCC2(CCCC2)NC1 AMY18748 [0,0,0,2,0,0|1,0,0]=3 316 B11R2.1261 C1CC[C@@]2(CCNC2)NC1 AM20090564 [0,0,0,2,0,0|2,0,0]=4 317 B11R2.1261 C1CC[C@@]2(CCOC2)NC1 AMY21754 [0,0,0,2,0,0|2,0,0]=4 318 B11R2.1261 C1CC[C@@]2(CCOC2)NC1 AMY21760 [0,0,0,2,0,0|2,0,0]=4 319 B11R2.1261 C1CNCC2(C1)OCCO2 AMY6040 [0,0,0,2,0,0|2,0,0]=4 320 B11R2.1261 C1COC2(C1)CCNCC2 AM20100046 [0,0,0,2,0,0|1,0,0]=3 321 B11R2.1261 C1COC2(C1)CCNCC2 AM86021 [0,0,0,2,0,0|1,0,0]=3 322 B11R2.1261 C1COC2(C1)CCNCC2 AMY34636 [0,0,0,2,0,0|1,0,0]=3 323 B11R2.1261 C1CO[C@]2(CCOC2)CN1 AM806421 [0,0,0,2,0,0|2,0,0]=4 324 B11R2.385 C1CN[C@@H](CNC2CC2)C1 AM91197 [0,0,0,2,0,0|2,0,0]=4 325 B11R2.60 OC1CCC2C(O)CCC12 AMY202 [0,0,0,2,0,0|1,0,0]=3 326 B11R2.1034 C(CCC1CO1)CC2CO2 AMY37712 [0,0,0,2,0,0|1,0,0]=3