0 B11R1.34 CCCC1=NC(=CC(=O)N1)C CNP0512816.0 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.34 CCC[C@H]1CC(=O)C=C(C1)C CNP0362437.1 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.8 CC1=CC(=O)C[C@@H](O1)CO CNP0212942.1 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,0,0,0,0,0|0,0,3]=4 6 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.41 CCCC1=CC(=CC(=O)O1)OC CNP0278861.0 [0,1,0,0,0,0|1,0,2]=4 11 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,0,1,0,0,0|1,0,2]=4 12 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,0,1,0,0,0|2,0,1]=4 13 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,0,1,0,0,0|0,0,0]=1 14 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,0,1,0,0,0|2,0,1]=4 15 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,0,1,0,0,0|1,0,1]=3 16 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,0,1,0,0,0|1,0,2]=4 17 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,0,1,0,0,0|1,0,1]=3 18 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,0,1,0,0,0|2,0,1]=4 19 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,0,1,0,0,0|1,0,2]=4 20 B12R2.246 N=C1NC(=O)C[C@@H]2N1CCC2 CNP0194832.1 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.1138 CC1=N[C@@H]2CC(=O)[C@H]1[C@@H](C2)C CNP0310260.3 [0,0,0,1,0,0|1,0,1]=3 22 B12R2.1138 CC1=N[C@@H]2CC(=O)[C@H]1[C@H](C2)C CNP0310260.2 [0,0,0,1,0,0|1,0,1]=3 23 B12R2.1138 CC1=N[C@H]2CC(=O)[C@@H]1[C@H](C2)C CNP0310260.1 [0,0,0,1,0,0|1,0,1]=3 24 B12R2.1153 C[C@@]12CCC[C@@H](N1)CC(=O)C2 CNP0248477.1 [0,0,0,1,0,0|1,0,2]=4 25 B12R2.1153 C[C@@]12CCC[C@H](N1)CC(=O)C2 CNP0248477.4 [0,0,0,1,0,0|1,0,2]=4 26 B12R2.1153 C[C@]12CCC[C@@H](N1)CC(=O)C2 CNP0248477.3 [0,0,0,1,0,0|1,0,2]=4 27 B12R2.1153 C[C@]12CCC[C@H](N1)CC(=O)C2 CNP0248477.2 [0,0,0,1,0,0|1,0,2]=4 28 B12R2.2899 C[C@@H]1C[C@H]2CC(=O)C[C@H](C2)O1 CNP0354996.1 [0,0,0,1,0,0|1,0,2]=4 29 B12R2.2899 C[C@H]1C[C@H]2C[C@@H](O1)CC(=O)O2 CNP0172956.1 [0,0,0,1,0,0|2,0,1]=4 30 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [1,0,1,0,0,0|0,0,2]=4 31 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [1,0,1,0,0,0|1,0,1]=4 32 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [1,0,1,0,0,0|0,0,2]=4 33 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,0,1,0,0,0|0,0,0]=2 34 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [1,0,1,0,0,0|1,0,0]=3 35 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,0,1,0,0,0|0,0,2]=4 36 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,0,1,0,0,0|1,0,1]=4 37 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [1,0,1,0,0,0|0,0,2]=4 38 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [1,0,1,0,0,0|0,0,2]=4 39 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [1,0,1,0,0,0|1,0,1]=4 40 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [1,0,1,0,0,0|1,0,1]=4 41 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [1,0,1,0,0,0|2,0,0]=4 42 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [1,0,1,0,0,0|1,0,1]=4 44 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [1,0,1,0,0,0|1,0,1]=4 45 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [1,0,1,0,0,0|0,0,0]=2 46 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [1,0,1,0,0,0|1,0,0]=3 47 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,0,1,0,0,0|0,0,2]=4 48 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,0,1,0,0,0|1,0,1]=4 49 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [1,0,1,0,0,0|2,0,0]=4 50 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [1,0,1,0,0,0|1,0,0]=3 51 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [1,0,1,0,0,0|0,0,0]=2 52 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,0,1,0,0,0|1,0,1]=4 53 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [1,0,1,0,0,0|1,0,1]=4 54 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,0,1,0,0,0|1,0,1]=4 55 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [1,0,1,0,0,0|1,0,1]=4 56 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [2,0,0,0,0,0|0,0,0]=2 57 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [2,0,0,0,0,0|2,0,0]=4 59 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [0,1,1,0,0,0|1,0,0]=3 60 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [0,1,1,0,0,0|2,0,0]=4 61 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [0,1,1,0,0,0|1,0,1]=4 62 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,1,1,0,0,0|1,0,1]=4 63 B11R0.2 CCCCCOC(=O)CC(C)C CNP0135492.0 [0,1,1,0,0,0|0,0,2]=4 64 B11R0.6 C=C(C)CCOC(=O)C=C(C)C CNP0172125.0 [0,1,1,0,0,0|1,0,1]=4 65 B11R0.6 CC(=CC(=O)OCCC(C)C)C CNP0302991.0 [0,1,1,0,0,0|1,0,0]=3 66 B11R0.6 CC(=O)C=C(C)CCC=C(C)C CNP0003286.0 [0,1,1,0,0,0|0,0,2]=4 67 B11R0.6 CC(=O)OC(C)CCCC(C)C CNP0003322.0 [0,1,1,0,0,0|1,0,1]=4 68 B11R0.77 CCCCC[C@@H](CC)OC(=O)C CNP0232221.2 [0,1,1,0,0,0|1,0,1]=4 69 B11R0.77 CCCCC[C@H](CC)OC(=O)C CNP0232221.1 [0,1,1,0,0,0|1,0,1]=4 70 B11R0.107 CCC(C)COC(=O)C=C(C)C CNP0003238.0 [0,1,1,0,0,0|1,0,0]=3 71 B11R0.139 CCCCCC(=O)C(=C(Br)Br)Br CNP0104595.0 [0,1,1,0,0,0|2,0,0]=4 72 B11R0.139 CCCCCC(=O)C(=C(Br)Br)I CNP0273659.0 [0,1,1,0,0,0|2,0,0]=4 73 B11R0.139 CCCCCC(=O)C(=C(Br)I)Br CNP0438634.0 [0,1,1,0,0,0|2,0,0]=4 74 B11R0.139 CCCCCC(=O)C(=C(Cl)Br)Cl CNP0241988.0 [0,1,1,0,0,0|2,0,0]=4 75 B11R0.139 CCCCCC(=O)C(C)C(=O)C CNP0003046.0 [0,1,1,0,0,0|1,0,1]=4 76 B11R1.9 CCC1=CC(=O)C[C@@H](O1)CC CNP0423293.1 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.9 COC1=CC(=O)O[C@@H](C1)CO CNP0056093.1 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.9 COC1=CC(=O)O[C@H](C1)CO CNP0056093.2 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.9 COC1=CC(=O)S[C@H](C1)CO CNP0353393.1 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.74 CC1=CC(=O)CC(C1)C(C)C CNP0270583.0 [1,1,0,0,0,0|0,0,0]=2 81 B11R1.1180 CCC1(CC(=O)NC(=O)C1)C CNP0086299.0 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.157 C[C@H](O)C[C@H]1CC=CC(=O)O1 CNP0256359.1 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [1,1,0,0,0,0|0,0,2]=4 84 B11R1.186 CCCC1CC(=C(C1=O)O)C CNP0333773.0 [0,1,0,0,1,0|0,0,0]=2 85 B11R1.186 CCCC1OC(=C(C1=O)O)C CNP0442329.0 [0,1,0,0,1,0|1,0,0]=3 86 B11R1.186 CCC[C@@H]1CC(=O)C(=C1C)O CNP0223349.1 [0,1,0,0,1,0|0,0,0]=2 87 B11R1.645 CC(=O)CC1OC(=O)C=C1C CNP0434876.0 [0,1,0,0,1,0|1,0,1]=4 88 B11R1.1236 COCC1(OC(=O)C=C1C)O CNP0108059.0 [0,1,0,0,1,0|2,0,0]=4 89 B11R1.187 CCC[C@@H]1C=C(C(=O)C1)OC CNP0350695.1 [0,1,0,0,1,0|0,0,1]=3 90 B13R1.4031 CCCC1CC(=O)C(C(=O)C1)CC CNP0506970.0 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,0,1,1,0,0|1,0,1]=4 92 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,0,1,1,0,0|1,0,1]=4 93 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,0,1,1,0,0|1,0,1]=4 94 B11R1.928 CC(=O)OC1(CCCCC1)C CNP0549366.0 [0,0,1,1,0,0|1,0,1]=4 95 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,1,1,0|1,0,1]=4 96 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,0,1,0,1,0|1,0,1]=4 97 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,0,1,0,1,0|1,0,1]=4 98 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,0,1,0,1,0|0,0,1]=3 99 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,0,1,0,1,0|1,0,0]=3 100 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,0,1,0,1,0|1,0,1]=4 101 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,0,1,0,1,0|1,0,1]=4 102 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,0,1,0,1,0|1,0,1]=4 103 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,0,1,0,1,0|1,0,1]=4 104 B9R0.15 CCCC(CCC)C(=O)N CNP0104978.0 [0,0,1,0,1,0|1,0,1]=4 105 B9R0.15 CCCC(CCC)C(=O)O CNP0384704.0 [0,0,1,0,1,0|1,0,1]=4 106 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0581160.0 [0,0,1,0,1,0|1,0,1]=4 107 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0588550.0 [0,0,1,0,1,0|1,0,1]=4 108 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [1,0,0,0,1,0|2,0,0]=4 109 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [1,0,0,0,1,0|1,0,1]=4 110 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [1,0,0,0,1,0|1,0,1]=4 111 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [1,0,0,0,1,0|0,0,2]=4 112 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [1,0,0,0,1,0|2,0,0]=4 113 B11R0.46 CCCCCC(=O)C=CC(=O)O CNP0301598.0 [0,0,1,0,0,1|2,0,0]=4 114 B11R0.46 CCCCCC(=O)C=CC(C)C CNP0585991.0 [0,0,1,0,0,1|0,0,1]=3 115 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,0,1,0,0,1|1,0,1]=4 116 B11R0.46 CCCCCC(=O)NCC(C)C CNP0299314.0 [0,0,1,0,0,1|0,0,2]=4 117 B11R0.46 CCCCCC(=O)OCC(C)C CNP0258306.0 [0,0,1,0,0,1|0,0,2]=4 118 B11R1.81 CCCC1=C(OC(=O)CC1)C CNP0474826.0 [0,0,0,0,1,1|1,0,1]=4