0 B11R1.16 CCC[C@H](O)C1CCCCC1 D89431 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.16 CCOC(=O)N1CC=CCC1 E10084 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.16 CCOC(=O)[C@@H]1CC=CCC1 D89336 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.16 CCOC(=O)[C@@H]1COCCN1 77676 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.16 N#CCC(=O)C1CCCCC1 84147 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.16 NCCC(=O)N1CCCCC1 F21072 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.16 NCCC(=O)N1CCOCC1 C77971 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.15 CCC(=O)N1CCNCC1 F21173 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.15 COC(=O)C1=CCCNC1 F14151 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.15 COC(=O)N1CCCCC1 64308 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.15 COC(=O)[C@@H]1CC=CCC1 AT23734 [1,0,0,0,0,0|0,0,2]=3 11 B10R1.15 COC(=O)[C@@H]1CCCCN1 25044 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.15 COC(=O)[C@@H]1CNCCO1 36257 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.15 COC(=O)[C@@H]1CNCCO1 D88036 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 CCCOC1CCNCC1 V10010 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.30 C=CCOC(=O)N1CCNCC1 F14281 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.107 CC(C)CC(=O)N1CCNCC1 F21199 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.107 CC(C)OC(=O)C1CCCCC1 D89255 [0,1,0,0,0,0|0,0,0]=1 18 B12R1.308 CCOC(=O)C1=C(C)OCCC1 F12642 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.308 CCOC(=O)C1=C(O)CCOC1 O11794 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.308 CCOC(=O)[C@@H]1CNCCC1=O AB1566 [0,1,0,0,0,0|1,0,1]=3 21 B10R0.1 C=CCCCCC(=O)OCC D86379 [0,0,1,0,0,0|0,0,2]=3 22 B10R0.1 C=CCNCCC(=O)OCC 92547 [0,0,1,0,0,0|1,0,2]=4 23 B10R0.1 CCCCCCC(=O)CCC D89875 [0,0,1,0,0,0|1,0,0]=2 24 B10R0.1 CCCCCC[C@@H](O)CCC D89845 [0,0,1,0,0,0|1,0,2]=4 25 B10R0.19 CCOC(=O)[C@@H](N)CCSC F11024 [0,0,1,0,0,0|2,0,0]=3 26 B12R2.8 O=C1NCC[C@@]12CCCNC2 S10962 [0,0,0,1,0,0|2,0,0]=3 27 B12R2.1081 O[C@H]1CCC[C@@H]2CCCCC12 I11533 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.11 CCOC(=O)C1=CCCO1 D88118 [0,0,0,0,1,0|1,0,2]=4 29 B10R1.11 CCOC(=O)C1SCCS1 D89994 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.11 CCOC(=O)[C@@H]1CCCN1 W15477 [0,0,0,0,1,0|1,0,0]=2 31 B10R1.11 CCOC(=O)[C@H]1CCOC1 70897 [0,0,0,0,1,0|1,0,0]=2 32 B12R1.32 CCOC(=O)CC1CCCCC1 D89353 [0,0,0,0,0,1|0,0,0]=1 33 B12R1.32 CCOC(=O)CN1CCNCC1 D85741 [0,0,0,0,0,1|2,0,0]=3 34 B12R1.32 CCOC(=O)NC1CCNCC1 AT23020 [0,0,0,0,0,1|1,0,0]=2 35 B12R1.32 NCCC(=O)NC1CCCCC1 F21041 [0,0,0,0,0,1|2,0,0]=3 36 B9R0.5 CCCCCC(=O)CCC D91706 [1,0,1,0,0,0|1,0,0]=3 37 B9R0.45 CCCCCCCCCC S11595 [1,0,1,0,0,0|1,0,1]=4 38 B9R0.45 CCCCCC\C=C\CO D91737 [1,0,1,0,0,0|2,0,0]=4 39 B9R0.46 CCCCCCC(=O)CC D91660 [1,0,1,0,0,0|0,0,0]=2 40 B9R0.46 CCCCCC[C@@H](O)CC D91682 [1,0,1,0,0,0|0,0,2]=4 41 B9R0.46 COC(=O)COCCCBr AC2376 [1,0,1,0,0,0|2,0,0]=4 42 B9R0.8 COC(=O)[C@@H](N)CCSC F10668 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.37 CCOC(=O)C(CC)CC F16749 [1,0,1,0,0,0|0,0,0]=2 44 B9R1.6 O=C(O)[C@@H]1CNCCN1 65133 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.6 O=C(O)[C@@H]1CNCCN1 65231 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.6 O=C(O)[C@@H]1CNCCN1 AT10767 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 O=C(O)[C@@H]1CNCCO1 77637 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 O=C([O-])C1CCCCC1 D91685 [2,0,0,0,0,0|0,0,1]=3 49 B9R1.8 CCCC1CCCCC1 D91999 [2,0,0,0,0,0|0,0,1]=3 50 B9R1.8 CCC[C@H]1CCCCN1 F16896 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.8 CCO[C@H]1CCCNC1 61512 [2,0,0,0,0,0|1,0,0]=3 52 B11R0.4 CCCCCCCC(=O)CCC D92758 [0,1,1,0,0,0|1,0,0]=3 53 B11R0.5 CCOC(=O)CC(=O)CCOC D88169 [0,1,1,0,0,0|1,0,1]=4 54 B11R0.81 CCCCCCC(=O)CCCC D92759 [0,1,1,0,0,0|1,0,0]=3 55 B11R0.11 CCCCC(=O)[C@@H](O)CCCC D92783 [0,1,1,0,0,0|2,0,0]=4 56 B11R1.22 CNC(=O)[C@H]1CC[C@H](N)CC1 D77387 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.22 COC(=O)C1CCC(C)NC1 CS1674 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.22 COC(=O)N1CCC(O)CC1 D75116 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 V10028 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.222 CCN(C)[C@H]1CCCC[C@@H]1O V10247 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.878 COC(=O)[C@@]1(C)CCCNC1 32764 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.1 CCCCC1CCC(N)CC1 D89044 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.28 CCCCCC1CCCCC1 F16714 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.40 CCC(=O)OC1CCCCC1 D91966 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.19 CCOC(=O)CC1CCC(N)CC1 D77419 [0,1,0,0,0,1|0,0,0]=2 66 B13R1.19 CCOC(=O)CN1CCN(C)CC1 63520 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 P15634 [0,1,0,0,0,1|0,0,0]=2 68 B13R1.348 CC(C)CC(=O)OC1CCCCC1 D91099 [0,1,0,0,0,1|1,0,0]=3 69 B13R1.470 CCOC(=O)C[C@H]1CCCCC1=O AT25969 [0,1,0,0,0,1|0,0,1]=3 70 B13R1.17 C=CCOC(=O)N1CCC(N)CC1 A66004 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.446 CCOC(=O)[C@@H]1CN(C)CCC1=O 90485 [0,2,0,0,0,0|1,0,1]=4 72 B13R1.11 COC(=O)CC(=O)C1CCCCC1 20566 [0,2,0,0,0,0|1,0,1]=4 73 B13R1.45 O=C(O)CNC(=O)C1CCCCC1 F21119 [0,2,0,0,0,0|1,0,1]=4 74 B13R1.352 CC(C)(C)OC(=O)N1CCNCC1 31119 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.4472 CCOC(=O)C1(C#N)CCCCC1 V10153 [0,2,0,0,0,0|0,0,0]=2 76 B11R1.30 CCOC(=O)C[C@H]1CCCO1 F52125 [0,0,1,1,0,0|1,0,0]=3 77 B11R1.230 CCCCC1OC(=O)CC1C D91607 [0,0,1,1,0,0|2,0,0]=4 78 B11R2.40 NC1(C2CCCCC2)CC1 C90106 [1,0,0,1,0,0|1,0,1]=4 79 B11R2.20 C1CCC2CNCCC2C1 D90361 [1,0,0,1,0,0|1,0,1]=4 80 B11R2.20 C1CC[C@@H]2CCCN[C@H]2C1 D90133 [1,0,0,1,0,0|2,0,0]=4 81 B11R2.1261 C1CCC2(CC1)CCNC2 P10367 [1,0,0,1,0,0|1,0,1]=4 82 B13R2.15 O=C1CCCN1C2CCNCC2 65196 [0,0,0,1,0,1|2,0,0]=4 83 B13R2.12120 CC12CCCCC1C(=O)OC2=O FD14006 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.11 CNC(=O)C1CCCC1 D76478 [1,0,0,0,1,0|1,0,0]=3 85 B9R1.73 CCOC(=O)C1CNC1 D87600 [0,0,0,0,2,0|1,0,0]=3 86 B13R1.42 CCOC(=O)CCN1CCCCC1 61578 [0,0,0,0,0,2|1,0,0]=3 87 B13R1.42 CCOC(=O)CCN1CCOCC1 W10823 [0,0,0,0,0,2|2,0,0]=4