0 B11R1.24 CCCC[C@H]1CC(=O)CCN1 S11327 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.17 CCCCC1CCNCC1 30336 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.17 CNCCC1CCCCC1 P10203 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 COCC[C@H]1CCCCN1 32735 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.50 COC(=O)C[C@H]1CCCC(=O)C1 97097 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.50 COC(=O)C[C@H]1CCCC(=O)C1 97100 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.50 COC(=O)C[C@H]1CCCC(=O)C1 AC5799 [0,1,0,0,0,0|2,0,1]=4 8 B10R0.1 CCOC(=O)CCCCCN 77390 [0,0,1,0,0,0|3,0,0]=4 9 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [0,0,1,0,0,0|0,0,2]=3 10 B10R0.4 O=C(O)COCCOCCBr C90635 [0,0,1,0,0,0|3,0,0]=4 11 B10R0.4 O=C(O)COCCOCCCl D71995 [0,0,1,0,0,0|3,0,0]=4 12 B10R0.90 CCCCC(OCC)OCC A10982 [0,0,1,0,0,0|2,0,1]=4 13 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [0,0,1,0,0,0|1,0,1]=3 14 B12R2.24 O=C1CNC2CCCCC2N1 F14272 [0,0,0,1,0,0|2,0,0]=3 15 B12R2.24 O=C1CO[C@H]2CCNC[C@H]2N1 AT12714 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.24 O=C1CO[C@H]2CCNC[C@H]2N1 AT21907 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.24 O=C1N[C@H]2CNCC[C@@H]2CO1 C77532 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,0,0,0,1,0|0,0,0]=1 19 B10R1.29 CNCCN1CCOC1=O AT18746 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.29 COCC[C@H]1CCNC1=O AT19072 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.29 N#CCC[C@H]1CCCC1=O AC8276 [0,0,0,0,1,0|1,0,1]=3 22 B10R1.29 NCCCN1CCOC1=O AT18744 [0,0,0,0,1,0|3,0,0]=4 23 B10R1.29 O=C1OCCN1CCCO AT18745 [0,0,0,0,1,0|3,0,0]=4 24 B9R0.5 CCOC(=O)CCCNC AB10379 [1,0,1,0,0,0|2,0,0]=4 25 B9R0.45 C=CCCCCCCCC T73018 [1,0,1,0,0,0|1,0,0]=3 26 B9R0.45 C\C=C/CCCCCCC T70533 [1,0,1,0,0,0|1,0,1]=4 27 B9R0.2 CNCCCCCC(=O)O AT21580 [1,0,1,0,0,0|1,0,0]=3 28 B9R0.2 NCCCCCCC(N)=O AC7480 [1,0,1,0,0,0|2,0,0]=4 29 B9R0.18 CCCCC(C)CCCC T71863 [1,0,1,0,0,0|1,0,1]=4 30 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 CCC[C@H]1CCCCN1 F16887 [2,0,0,0,0,0|1,0,1]=4 32 B9R1.8 CNC[C@H]1CCCCO1 F16332 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [2,0,0,0,0,0|1,0,1]=4 34 B11R0.4 CCOC(=O)COCCCCO AT19862 [0,1,1,0,0,0|2,0,0]=4 35 B11R0.148 NCCOCCOCCC(=O)O E72611 [0,1,1,0,0,0|2,0,0]=4 36 B11R1.34 CCCC1CC(=O)CC(=O)C1 F16230 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 AT19167 [0,1,0,0,1,0|2,0,0]=4 38 B11R1.180 CNCCCN1CCOC1=O AT18748 [0,1,0,0,1,0|2,0,0]=4 39 B13R1.20 CCOC(=O)C[C@H]1CCCC(=O)C1 AC6561 [0,2,0,0,0,0|1,0,1]=4 40 B11R1.30 NCCC(=O)NC1CCCC1 F21050 [0,0,1,1,0,0|2,0,0]=4 41 B11R1.289 CCOC(=O)CCC1CCC1 F52482 [0,0,1,1,0,0|2,0,0]=4 42 B11R1.86 C[C@H]1CNCCN1CC(=O)O AC2825 [0,0,1,1,0,0|2,0,0]=4 43 B11R1.172 O=C(O)CCC[C@H]1CCSS1 AT18213 [0,0,1,1,0,0|2,0,0]=4 44 B11R1.742 O=C(O)C[C@H]1CCCNCC1 AT11731 [0,0,1,1,0,0|1,0,0]=3 45 B11R2.36 O=C1CCC2CCNC2C1 D72799 [1,0,0,1,0,0|2,0,0]=4 46 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 AT25021 [1,0,0,1,0,0|2,0,0]=4 47 B11R2.106 O=C1CCCN2CCC[C@@H]12 C15384 [1,0,0,1,0,0|2,0,0]=4 48 B11R2.106 O=C1CCNC2CCCC12 F14781 [1,0,0,1,0,0|2,0,0]=4 49 B11R2.106 O=C1CCNC2CCCC12 P10663 [1,0,0,1,0,0|2,0,0]=4 50 B11R2.106 O=C1CNC[C@@H]2CCCN12 90666 [1,0,0,1,0,0|2,0,0]=4 51 B11R2.106 O=C1CNC[C@@H]2CCCN12 F53864 [1,0,0,1,0,0|2,0,0]=4 52 B11R2.106 O=C1CNC[C@@H]2CCCN12 N13360 [1,0,0,1,0,0|2,0,0]=4 53 B11R2.1478 O=C1CCNC2(CCC2)C1 F13787 [1,0,0,1,0,0|2,0,0]=4 54 B11R2.20 C1CC[C@H]2CNCC[C@H]2C1 CS1860 [1,0,0,1,0,0|2,0,0]=4 55 B11R2.20 C1CO[C@H]2CCNC[C@@H]2C1 W13307 [1,0,0,1,0,0|1,0,1]=4 56 B11R2.239 C1CC([C@@H]2CNCCO2)C1 F53791 [1,0,0,1,0,0|1,0,1]=4 57 B11R2.1261 C1CCC2(CCCC2)NC1 S11526 [1,0,0,1,0,0|1,0,1]=4 58 B11R2.10 O=C1C[C@@H]2CCCC[C@@H]2N1 AT25973 [0,0,0,1,1,0|1,0,0]=3 59 B11R2.352 O=C1C[C@H](C2CCC2)CN1 AT19188 [0,0,0,1,1,0|2,0,0]=4 60 B11R2.748 O=C1NC[C@@]2(CCNC2)O1 AT11747 [0,0,0,1,1,0|2,0,0]=4 61 B11R2.748 O=C1NC[C@@]2(CCNC2)O1 E71008 [0,0,0,1,1,0|2,0,0]=4 62 B11R2.748 O=C1NC[C@@]2(CCNC2)O1 E71009 [0,0,0,1,1,0|2,0,0]=4 63 B11R2.3 O=C1NCC[C@]12CCNC2 W14002 [0,0,0,1,1,0|2,0,0]=4 64 B11R2.3 O=C1OCC[C@]12CCNC2 F53749 [0,0,0,1,1,0|2,0,0]=4 65 B13R2.13 O=C1CCCN(C2CCCC2)C1 24997 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.32 CN1C(=O)CC[C@@H]2CNCC[C@@H]21 W12404 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.11128 O=C1CC2(CCNCC2)CCN1 F14433 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.11128 O=C1CCOC2(CCCCC2)C1 88247 [0,1,0,1,0,0|2,0,0]=4 69 B9R0.13 CCCC[C@@H](CO)C(=O)O 62404 [0,0,1,0,1,0|2,0,0]=4 70 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [0,0,1,0,1,0|2,0,0]=4 71 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [0,0,1,0,1,0|2,0,0]=4 72 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [0,0,1,0,1,0|2,0,0]=4 73 B9R1.7 CNC[C@H]1CCC(=O)N1 AT13580 [1,0,0,0,1,0|2,0,0]=4 74 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [1,0,0,0,1,0|2,0,0]=4 75 B9R1.33 COC[C@H]1CCNC1=O AT19084 [1,0,0,0,1,0|2,0,0]=4 76 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [1,0,0,0,1,0|2,0,0]=4 77 B9R1.12 CCCC[C@H]1CCCN1 N12661 [1,0,0,0,1,0|1,0,0]=3 78 B9R1.12 CNCCC1CCCC1 P11107 [1,0,0,0,1,0|1,0,1]=4 79 B9R1.12 CNCC[C@H]1CCCO1 F20641 [1,0,0,0,1,0|1,0,0]=3 80 B9R1.12 NCCCC1CCCC1 F20043 [1,0,0,0,1,0|1,0,1]=4