0 B12R0.234 CCCCCCCCCCB(O)O AMY1131 [0,0,0,0,0,0|1,0,1]=2 1 B12R0.234 CCCCCCCCCCC(=O)Cl AM85327 [0,0,0,0,0,0|1,0,0]=1 2 B12R0.234 CCCCCCCCCCC(=O)O AM85321 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.234 CCCCCCCCCOC(=O)Cl AMY4034 [0,0,0,0,0,0|2,0,0]=2 4 B12R0.234 CCCCCCCC\C=C\C(=O)O AMY21934 [0,0,0,0,0,0|0,0,2]=2 5 B12R0.234 O=C(O)CCCCCCCCCBr AMY820 [0,0,0,0,0,0|1,0,0]=1 6 B12R0.234 O=C(O)\C=C\CCCCCCCO AMY22616 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.3 BrCCCCCCCCCCBr AMY11211 [1,0,0,0,0,0|2,0,1]=4 8 B11R0.3 C#CCCCCCCCCCO AMY25626 [1,0,0,0,0,0|0,0,3]=4 9 B11R0.3 C=CCCCCCCCCC=O AMY6063 [1,0,0,0,0,0|0,0,2]=3 10 B11R0.3 C=CCCCCCCCCCBr AMY6138 [1,0,0,0,0,0|2,0,0]=3 11 B11R0.3 C=CCCCCCCCCCCl AMY6064 [1,0,0,0,0,0|2,0,0]=3 12 B11R0.3 C=CCCCCCCCCCN AMY6111 [1,0,0,0,0,0|2,0,0]=3 13 B11R0.3 C=CCCCCCCCCCO AMY5942 [1,0,0,0,0,0|2,0,0]=3 14 B11R0.3 CCCCCCCCCCCO AMY5947 [1,0,0,0,0,0|0,0,1]=2 15 B11R0.3 CCCCCCCCNCCN AM20130031 [1,0,0,0,0,0|2,0,1]=4 16 B11R0.3 ClCCCCCCCCCCCl AMY9370 [1,0,0,0,0,0|2,0,1]=4 17 B11R0.3 NCCCCCCCCCCN AMY25748 [1,0,0,0,0,0|2,0,1]=4 18 B11R0.148 CCCCCCCCOC(=O)Cl AMY4096 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.148 CCC\C=C\CCCCC(=O)O AMY22527 [1,0,0,0,0,0|0,0,2]=3 20 B11R0.148 O=C(O)CCCCCCCCBr AM803870 [1,0,0,0,0,0|1,0,0]=2 21 B11R0.148 O=C(O)CCCCCCCCO AM20100011 [1,0,0,0,0,0|1,0,0]=2 22 B13R0.54 CCCCCCCCCCOC(=O)Cl AMY4023 [0,1,0,0,0,0|1,0,0]=2 23 B13R0.54 CCCCCCCCC\C=C\C(=O)O AMY37907 [0,1,0,0,0,0|0,0,1]=2 24 B13R0.54 NCCCCCCCCCCC(=O)O AM82457 [0,1,0,0,0,0|0,0,0]=1 25 B13R0.54 O=C(O)CCCCCCCCCCBr AM84878 [0,1,0,0,0,0|0,0,0]=1 26 B13R0.147 CCCCCCCCCCC(=O)OC AM85326 [0,1,0,0,0,0|0,0,0]=1 27 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O AMY7502 [0,1,0,0,0,0|0,0,0]=1 28 B13R0.154 CCCCCCCC(=O)NCC(=O)O AM806699 [0,1,0,0,0,0|1,0,1]=3 29 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl AMY40865 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.158 CN1CCCC[C@@H]1CNCC(=O)O AM91267 [0,0,0,1,0,0|2,0,0]=3 31 B13R1.158 CN1CCCC[C@@H]1COCC(=O)O AM90592 [0,0,0,1,0,0|2,0,0]=3 32 B13R1.279 NC1CCCCCCCCCCC1 AMY18851 [0,0,0,1,0,0|2,0,1]=4 33 B13R1.337 O=C(O)CCCCN1CCCCC1 AM20210015 [0,0,0,1,0,0|1,0,0]=2 34 B13R1.380 CCNC1CCCCC1NC(C)=O AM92520 [0,0,0,1,0,0|3,0,0]=4 35 B13R1.380 COC[C@H]1CCCCN1CC(=O)O AM93120 [0,0,0,1,0,0|2,0,0]=3 36 B13R1.572 CCNC[C@H]1CCCCN1C(C)=O AM94468 [0,0,0,1,0,0|3,0,0]=4 37 B10R0.71 BrCCCCCCCCCBr AM20100162 [2,0,0,0,0,0|2,0,0]=4 38 B10R0.71 CCCCCCCCCCN AMY21843 [2,0,0,0,0,0|1,0,0]=3 39 B10R0.71 ClCCCCCCCCCCl AM20100798 [2,0,0,0,0,0|2,0,0]=4 40 B10R0.71 OCCCCCCCCCBr AMY4021 [2,0,0,0,0,0|1,0,0]=3 41 B10R0.71 OCCCCCCCCCO AMY22342 [2,0,0,0,0,0|1,0,0]=3 42 B10R0.4 CCCCCCCCB(O)O AMY30008 [2,0,0,0,0,0|1,0,1]=4 43 B10R0.4 CCCCCCCOC(=O)Cl AMY3945 [2,0,0,0,0,0|2,0,0]=4 44 B10R0.4 CCCCCCOCC(=O)O AMY3242 [2,0,0,0,0,0|1,0,0]=3 45 B10R0.4 O=C(O)CCCCCCCBr AMY31536 [2,0,0,0,0,0|1,0,0]=3 46 B10R0.4 O=C(O)CCCCCCCO AMY5109 [2,0,0,0,0,0|1,0,0]=3 47 B12R0.5 C=CCCCCCCCCCCBr AMY27230 [1,1,0,0,0,0|1,0,0]=3 48 B12R0.5 OCCCCCCCCCCCBr AM84536 [1,1,0,0,0,0|0,0,1]=3 49 B12R0.5 OCCCCCCCCCCCS AMY37881 [1,1,0,0,0,0|0,0,1]=3 50 B12R0.184 COC(=O)CCCCCCC(=O)O AMY41230 [1,1,0,0,0,0|1,0,1]=4 51 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O AMY7197 [1,1,0,0,0,0|0,0,0]=2 52 B12R0.251 CCCCCCCC[C@H](N)C(=O)O AM82445 [1,1,0,0,0,0|0,0,0]=2 53 B14R0.305 COC(=O)CCCCCCCCC(=O)O AMY41913 [0,2,0,0,0,0|0,0,1]=3 54 B14R0.337 CCCCCCCCCCCC(=O)NN AM9948 [0,2,0,0,0,0|1,0,0]=3 55 B14R0.337 COC(=O)CCCCCCCCCCBr AMY39895 [0,2,0,0,0,0|0,0,0]=2 56 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O AMY22040 [0,2,0,0,0,0|0,0,0]=2 57 B14R0.394 CCCCCCCCCCCCC(=O)O AMY5937 [0,2,0,0,0,0|0,0,0]=2 58 B14R0.394 CCCCCCCCCCCC[S@](C)=O AMY202100068 [0,2,0,0,0,0|2,0,0]=4 59 B14R0.394 CCCCCCCCCCCOC(C)=O AMY037 [0,2,0,0,0,0|1,0,0]=3 60 B14R0.394 CCCCCCCCCCNCC(=O)O AMY7682 [0,2,0,0,0,0|0,0,0]=2 61 B14R0.394 NCCOCCOCCOCCC(=O)O AMY4558 [0,2,0,0,0,0|2,0,0]=4 62 B14R0.394 O=C(O)CCCCCCCCCCCBr AMY25771 [0,2,0,0,0,0|0,0,0]=2 63 B14R0.197 COC(=O)CCCCCCCC(=O)OC AMY32452 [0,2,0,0,0,0|1,0,1]=4 64 B14R0.393 CCCCCCCCCCC(=O)OCC AM85347 [0,2,0,0,0,0|0,0,0]=2 65 B12R1.150 O=C1CCCCCCCCC1=O AM20120383 [1,0,0,1,0,0|1,0,1]=4 66 B12R1.75 O=C(O)CN1CCCC[C@@H]1CBr AM94277 [1,0,0,1,0,0|2,0,0]=4 67 B12R1.75 O=C(O)CN1CCCC[C@@H]1CCl AM92421 [1,0,0,1,0,0|2,0,0]=4 68 B12R1.75 O=C(O)CN1CCCC[C@@H]1CI AM94830 [1,0,0,1,0,0|2,0,0]=4 69 B12R1.75 O=C(O)CN1CCCC[C@@H]1CO AM91202 [1,0,0,1,0,0|2,0,0]=4 70 B12R1.130 CN1CCC[C@@H]1CNCC(=O)O AM92130 [1,0,0,1,0,0|2,0,0]=4 71 B12R1.130 CN1CCC[C@@H]1CNCC(=O)O AM95546 [1,0,0,1,0,0|2,0,0]=4 72 B12R1.130 CN1CCC[C@@H]1COCC(=O)O AM93652 [1,0,0,1,0,0|2,0,0]=4 73 B12R1.130 CN1CCC[C@@H]1COCC(=O)O AM96194 [1,0,0,1,0,0|2,0,0]=4 74 B12R1.252 O=C(O)CCCC1CCNCC1 AM20110211 [1,0,0,1,0,0|1,0,0]=3 75 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 AM84329 [1,0,0,1,0,0|2,0,0]=4 76 B12R1.289 COC[C@H]1CCCN1CC(=O)O AM93997 [1,0,0,1,0,0|2,0,0]=4 77 B12R1.1335 O=C(O)[C@@H]1CCCCCCCN1 AM20080303 [1,0,0,1,0,0|1,0,0]=3 78 B14R1.814 CN(C)C[C@H]1CCCCN1CC(=O)O AM90403 [0,1,0,1,0,0|2,0,0]=4 79 B14R1.4522 CN(C)C1CCCCC1NCC(=O)O AM92138 [0,1,0,1,0,0|2,0,0]=4 80 B14R1.337 CN(CC(=O)O)C[C@H]1CCCCN1C AM92883 [0,1,0,1,0,0|2,0,0]=4