0 B8R0.8 CC(C)C(=O)NCCN P37576 [1,0,0,0,0,0|2,0,0]=3 1 B8R0.8 CNCCC(=O)N(C)C P40566 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.9 CC(C)CNC(=O)CCl P38819 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.81 CC(C)C(=O)N1CC(O)C1 P41261 [0,0,0,1,0,0|2,0,0]=3 5 B10R1.83 CC(C)C1NC(=O)C1(C)C P45591 [0,0,0,1,0,0|1,0,0]=2 6 B10R1.147 CC1CC(C)(C)CCC1N P48524 [0,0,0,1,0,0|2,0,1]=4 7 B10R1.147 C[C@H]1CC(C)(C)CC[C@@H]1N P46669 [0,0,0,1,0,0|2,0,1]=4 8 B10R1.147 C[C@H]1CC(C)(C)CC[C@@H]1N P48692 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.147 C[C@H]1CC(C)(C)CC[C@H]1N P48693 [0,0,0,1,0,0|2,0,1]=4 10 B8R0.23 CC(C)C(N)CN(C)C P36129 [0,0,0,0,1,0|2,0,1]=4 11 B8R0.23 CC(C)OC(=O)[C@@H](C)N P38334 [0,0,0,0,1,0|1,0,0]=2 12 B8R0.23 CC(C)[C@@H](N)CN(C)C P37903 [0,0,0,0,1,0|2,0,1]=4 13 B8R0.23 CC(C)[C@H](N)CN(C)C P35834 [0,0,0,0,1,0|2,0,1]=4 14 B7R0.3 CCCNC(=O)CN P36648 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.5 CN(C)C(=O)CCCl P40567 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.5 CN(C)C(=O)CCN O33598 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.5 CNCC(=O)N(C)C P40286 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.6 CC(=O)OCC(C)O P36972 [2,0,0,0,0,0|1,0,0]=3 19 B9R0.3 CC(C)(C)C(=O)SCCO P41006 [1,1,0,0,0,0|1,1,0]=4 20 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [1,1,0,0,0,0|2,0,0]=4 21 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [1,1,0,0,0,0|2,0,0]=4 22 B9R0.10 CC(C)NC(=O)C(C)(C)N P42191 [0,1,0,0,1,0|1,0,0]=3 23 B9R0.79 CC(C)C(N)C(=O)N(C)C Q66031 [0,1,0,0,1,0|1,0,0]=3 24 B11R0.34 CC(N)CNC(=O)OC(C)(C)C P39319 [0,1,0,0,0,1|2,0,0]=4 25 B11R0.34 C[C@@H](N)CNC(=O)OC(C)(C)C H-8008 [0,1,0,0,0,1|2,0,0]=4 26 B11R0.34 C[C@@H](O)CNC(=O)OC(C)(C)C P42353 [0,1,0,0,0,1|2,0,0]=4 27 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C H-8136 [0,1,0,0,0,1|2,0,0]=4 28 B11R0.34 C[C@H](O)CNC(=O)OC(C)(C)C P40676 [0,1,0,0,0,1|2,0,0]=4 29 B11R0.84 CN(C)CCNC(=O)C(C)(C)N Q65471 [0,1,0,0,0,1|2,0,0]=4 30 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.5 N[C@H]1CCCCNC1=O O34512 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.23 CC1C[C@@H](CO)NC1=O Q61857 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.40 CC1(C)CCCCC1=O P49436 [1,0,0,1,0,0|1,0,0]=3 35 B9R1.40 CC1(C)CNCCC1=O G-7989 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.40 CC1(C)COCCC1=O L13076 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.40 CC1(C)NCCNC1=O G-7651 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.40 CC1(C)OCCCC1=O Q61432 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.69 CC1CN(C)CCC1=O Q65019 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.69 C[C@@H]1CN(C)CCC1=O Q65018 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 P49014 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.69 C[C@H]1CN(C)CCC1=O Q65017 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P49725 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.100 NCCNC(=O)C1CC1 O28367 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.106 CC1(C)C(=O)NCC1N L13294 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.106 CC1(C)C(=O)NC[C@@H]1N O33145 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.106 CC1(C)C(=O)NC[C@H]1N L13424 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.110 CC(Br)C(=O)C1CCC1 P47345 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.110 CN(C)C(=O)C1CCC1 P45456 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.10 CC1(C)CC=C(Br)CC1 N24756 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.10 CC1(C)CCC(=O)NC1 Q63050 [1,0,0,1,0,0|1,0,0]=3 53 B9R1.10 CC1(C)CCC(N)=NC1 Q65224 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.10 CC1(C)CNC(=O)CN1 L13881 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.10 CC1(N)CCC(=O)CC1 P48980 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.10 CC1(O)CCC(=O)CC1 D-2566 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.80 O=C(CCl)NCC1CC1 M23153 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.82 CCC(=O)N1CC(N)C1 O29913 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.138 CC1(C)CNC(=O)C1O Q61925 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.166 CC(C)C1NCC1(C)C P47256 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.36 CC1CC(C)(C)CC1=O Q61089 [0,0,0,1,1,0|0,0,0]=2 62 B9R1.153 CC1(C)NC(=O)C1(C)C P48719 [0,0,0,1,1,0|1,0,0]=3 63 B11R1.74 CC(C)C1CC(=O)CC(=O)O1 H-8801 [0,0,0,1,0,1|1,0,1]=4 64 B11R1.108 CC(C)C1NC(=O)C1C(C)C P46838 [0,0,0,1,0,1|1,0,0]=3 65 B11R1.489 CC(C)[C@@H]1NC(=O)OC1(C)C 10136 [0,0,0,1,0,1|1,0,0]=3 66 B11R1.314 CC(C)C(=O)N1CCC(N)C1 Q59191 [0,0,0,1,0,1|2,0,0]=4 67 B11R1.314 CC(C)C(=O)N1CCC(N)C1 Q59192 [0,0,0,1,0,1|2,0,0]=4 68 B11R1.519 CC(C)C1OC(C(C)C)C1N Q55959 [0,1,0,1,0,0|1,0,1]=4 69 B11R1.346 CC(C)COC(=O)C1CNC1 P48029 [0,1,0,1,0,0|0,0,0]=2 70 B11R1.332 C[C@H](N)C(=O)OCC1CCC1 O28018 [0,1,0,1,0,0|1,0,0]=3 71 B11R2.68 O=C1O[C@H]2C[C@@H]1CC[C@@H]2I P49241 [0,0,0,2,0,0|1,0,0]=3 72 B11R2.1232 CC(C)C(=O)C12CC(C1)C2 P49088 [0,0,0,2,0,0|1,0,0]=3 73 B7R0.2 C#CC(=O)OC(C)C S86242 [1,0,0,0,1,0|0,0,2]=4 74 B7R0.2 C=CC(=O)CC(C)C L19279 [1,0,0,0,1,0|0,0,2]=4 75 B7R0.2 CC(C)NC(=O)CBr P36229 [1,0,0,0,1,0|2,0,0]=4 76 B7R0.2 CC(C)NC(=O)CN P36647 [1,0,0,0,1,0|2,0,0]=4 77 B7R0.2 CC(C)NC(=O)CN P37073 [1,0,0,0,1,0|2,0,0]=4 78 B7R0.2 CCC(=O)CC(C)=O O31794 [1,0,0,0,1,0|1,0,1]=4 79 B7R0.2 COC(=O)CC(C)N P41489 [1,0,0,0,1,0|2,0,0]=4 80 B7R0.2 COC(=O)CN(C)C P36457 [1,0,0,0,1,0|2,0,0]=4 81 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,0,0,0,1,0|2,0,0]=4 82 B7R0.16 CC(N)C(=O)N(C)C P42081 [0,0,0,0,2,0|2,0,0]=4 83 B7R0.16 CC(N)C(=O)N(C)C P42198 [0,0,0,0,2,0|2,0,0]=4 84 B7R0.16 C[C@@H](N)C(=O)N(C)C P39515 [0,0,0,0,2,0|2,0,0]=4 85 B7R0.16 C[C@@H](N)C(=O)N(C)C P41438 [0,0,0,0,2,0|2,0,0]=4 86 B7R0.16 C[C@H](N)C(=O)N(C)C P36061 [0,0,0,0,2,0|2,0,0]=4 87 B7R0.16 C[C@H](N)C(=O)N(C)C P42054 [0,0,0,0,2,0|2,0,0]=4