0 B8R0.5 CC(C)NC(=O)CC#N P37631 [1,0,0,0,0,0|2,0,1]=4 1 B8R0.5 CCCC(=O)CC(C)=O O29704 [1,0,0,0,0,0|1,0,1]=3 2 B8R0.5 CCOC(=O)CC(C)N P42993 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.5 CNCC(=O)NC(C)C P37714 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.5 CNCC(=O)NC(C)C P42287 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [1,0,0,0,0,0|1,0,2]=4 8 B10R0.31 CC(C)CC(O)CC(C)(C)O O29732 [0,1,0,0,0,0|0,0,2]=3 9 B10R1.59 CC(C)N1CC(N)CC1=O S72834 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.329 CC1(C)CC(=O)CC(=O)N1 Q61058 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.329 CC1(C)CC(=O)CC(=O)O1 H-8798 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.329 CC1(C)CC(=O)NC(=O)C1 I-9217 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.329 CC1CC(=O)CC(C)(C)C1 P44666 [0,0,0,1,0,0|0,0,0]=1 14 B10R1.329 CC1CC(N)CC(C)(C)C1 P47827 [0,0,0,1,0,0|1,0,1]=3 15 B10R1.329 C[C@H]1C[C@@H](N)CC(C)(C)C1 P46946 [0,0,0,1,0,0|1,0,1]=3 16 B8R0.23 CC(C)C(N)CN(C)C P36129 [0,0,0,0,1,0|2,0,1]=4 17 B8R0.23 CC(C)OC(=O)[C@@H](C)N P38334 [0,0,0,0,1,0|2,0,0]=3 18 B8R0.23 CC(C)[C@@H](N)CN(C)C P37903 [0,0,0,0,1,0|2,0,1]=4 19 B8R0.23 CC(C)[C@H](N)CN(C)C P35834 [0,0,0,0,1,0|2,0,1]=4 20 B7R0.2 C=CC(=O)CC(C)C L19279 [2,0,0,0,0,0|0,0,2]=4 21 B7R0.2 CC(C)NC(=O)CBr P36229 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.2 CC(C)NC(=O)CN P36647 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.2 CC(C)NC(=O)CN P37073 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.2 CCC(=O)CC(C)=O O31794 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.2 COC(=O)CC(C)N P41489 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.2 COC(=O)CN(C)C P36457 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.7 CCNC(=O)CCN P36830 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.7 CCNC(=O)CNC P35209 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.7 CCNC(=O)CNC P39556 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.7 CCOC(=O)CCI P36879 [2,0,0,0,0,0|2,0,0]=4 32 B9R0.6 CCNC(=O)C(N)C(C)C P42121 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.44 CC(C)(C)OC(=O)CCBr P37435 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.44 CC(C)(C)OC(=O)CCN O34403 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.10 CC(C)NC(=O)C(C)(C)N P42191 [0,1,0,0,1,0|1,0,0]=3 38 B9R0.79 CC(C)C(N)C(=O)N(C)C Q66031 [0,1,0,0,1,0|1,0,0]=3 39 B11R0.34 CC(N)CNC(=O)OC(C)(C)C P39319 [0,1,0,0,0,1|2,0,0]=4 40 B11R0.34 C[C@@H](N)CNC(=O)OC(C)(C)C H-8008 [0,1,0,0,0,1|2,0,0]=4 41 B11R0.34 C[C@@H](O)CNC(=O)OC(C)(C)C P42353 [0,1,0,0,0,1|2,0,0]=4 42 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C H-8136 [0,1,0,0,0,1|2,0,0]=4 43 B11R0.34 C[C@H](O)CNC(=O)OC(C)(C)C P40676 [0,1,0,0,0,1|2,0,0]=4 44 B11R0.308 CC(C)C(N)C(=O)OC(C)(C)C P37119 [0,2,0,0,0,0|1,0,0]=3 45 B11R0.119 CC(CI)NC(=O)OC(C)(C)C P38523 [0,2,0,0,0,0|2,0,0]=4 46 B11R0.119 CC(CN)NC(=O)OC(C)(C)C M15454 [0,2,0,0,0,0|2,0,0]=4 47 B11R0.119 CNC(C)CC(=O)OC(C)(C)C P40338 [0,2,0,0,0,0|1,0,0]=3 48 B11R0.119 CN[C@@H](C)CC(=O)OC(C)(C)C P34816 [0,2,0,0,0,0|1,0,0]=3 49 B11R0.119 CN[C@H](C)CC(=O)OC(C)(C)C P39689 [0,2,0,0,0,0|1,0,0]=3 50 B11R0.119 C[C@@H](CI)NC(=O)OC(C)(C)C P40828 [0,2,0,0,0,0|2,0,0]=4 51 B11R0.119 C[C@@H](CN)NC(=O)OC(C)(C)C A-552 [0,2,0,0,0,0|2,0,0]=4 52 B11R0.119 C[C@H](CI)NC(=O)OC(C)(C)C P38044 [0,2,0,0,0,0|2,0,0]=4 53 B11R0.119 C[C@H](CN)NC(=O)OC(C)(C)C H-8009 [0,2,0,0,0,0|2,0,0]=4 54 B11R0.1 CCOC(=O)CC(=O)CC(C)C P38709 [0,2,0,0,0,0|1,0,1]=4 55 B9R1.22 CCN1CC(O)CC1=O Q59306 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.34 CC1CC(=O)CC(C)N1 O29876 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [1,0,0,1,0,0|1,0,0]=3 59 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.34 C[C@@H]1C[C@H](O)C[C@H](C)C1 P45201 [1,0,0,1,0,0|0,0,2]=4 61 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 L13865 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Q55528 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.38 CC1(C)NC(=O)CC1O Q64205 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.48 CC1CC(=O)NCCN1 G-6003 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.48 NC1CCCNC(=O)C1 S72677 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.66 C=C1CCOC(C)(C)C1 Q54981 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.66 CC1(C)CCCC(N)C1 P44411 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.66 CC1(C)CCCC(N)C1 Q52202 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.66 CC1(C)CCC[C@@H](N)C1 P44800 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.66 CC1(C)CCC[C@H](N)C1 P44801 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.75 CCOC(=O)CC1CC1 L14011 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.75 O=C(CCCl)NC1CC1 P37314 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.166 CC(C)C1NCC1(C)C P47256 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.36 CC1CC(C)(C)CC1=O Q61089 [0,0,0,1,1,0|0,0,0]=2 80 B9R1.69 CN1CCC(N)CC1=O C-2257 [0,0,0,1,1,0|2,0,0]=4 81 B9R1.153 CC1(C)NC(=O)C1(C)C P48719 [0,0,0,1,1,0|1,0,0]=3 82 B11R1.74 CC(C)C1CC(=O)CC(=O)O1 H-8801 [0,0,0,1,0,1|1,0,1]=4 83 B11R1.108 CC(C)C1NC(=O)C1C(C)C P46838 [0,0,0,1,0,1|0,0,0]=2 84 B11R1.489 CC(C)[C@@H]1NC(=O)OC1(C)C 10136 [0,0,0,1,0,1|1,0,0]=3 85 B11R1.519 CC(C)C1OC(C(C)C)C1N Q55959 [0,1,0,1,0,0|1,0,1]=4 86 B11R1.1361 CC1(C)CC(=O)C(I)C(=O)C1 P44693 [0,1,0,1,0,0|1,0,1]=4 87 B11R1.646 CC(C)(C)N1CC(N)CC1=O Q59382 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.646 CC(C)(C)N1CC(N)CC1=O Q59383 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.1362 CC1(C)CC(=O)CC(C)(C)O1 G-7637 [0,1,0,1,0,0|0,0,0]=2 90 B11R1.1362 CC1(C)CC(Br)CC(C)(C)O1 Q52291 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.1362 CC1(C)CC(I)CC(C)(C)O1 Q52292 [0,1,0,1,0,0|1,0,1]=4 92 B11R1.1362 CC1(C)CC(N)CC(C)(C)N1 Q65295 [0,1,0,1,0,0|1,0,1]=4 93 B11R1.1362 CC1(C)CC(N)CC(C)(C)O1 Q52290 [0,1,0,1,0,0|1,0,1]=4 94 B11R1.1362 CC1(C)CC(O)CC(C)(C)O1 L13707 [0,1,0,1,0,0|0,0,2]=4 95 B11R1.50 CC(C)N1CC(C=O)CC1=O Q60315 [0,1,0,1,0,0|1,0,1]=4 96 B11R1.484 CC(C)NC(=O)OC1CNC1 P47039 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.484 CC(C)NC(=O)OC1CNC1 P48470 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.484 CC(C)OC(=O)NC1CNC1 P48010 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.484 CC(C)OC(=O)NC1CNC1 P50694 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.414 CC(C)CC1(C=O)CC(C)C1 P43810 [0,1,0,1,0,0|0,0,1]=3 101 B11R2.433 O=C1CC2CCC(CC2)N1 P45473 [0,0,0,2,0,0|1,0,0]=3 102 B11R2.433 O=C1CC2CCN(CC2)C1 P45576 [0,0,0,2,0,0|1,0,0]=3 103 B11R2.433 O=C1CN2CCC(CC2)N1 D-2716 [0,0,0,2,0,0|2,0,0]=4 104 B7R0.5 CN(C)C(=O)CCCl P40567 [1,0,0,0,1,0|2,0,0]=4 105 B7R0.5 CN(C)C(=O)CCN O33598 [1,0,0,0,1,0|2,0,0]=4 106 B7R0.5 CNCC(=O)N(C)C P40286 [1,0,0,0,1,0|2,0,0]=4 107 B7R0.16 CC(N)C(=O)N(C)C P42081 [0,0,0,0,2,0|2,0,0]=4 108 B7R0.16 CC(N)C(=O)N(C)C P42198 [0,0,0,0,2,0|2,0,0]=4 109 B7R0.16 C[C@@H](N)C(=O)N(C)C P39515 [0,0,0,0,2,0|2,0,0]=4 110 B7R0.16 C[C@@H](N)C(=O)N(C)C P41438 [0,0,0,0,2,0|2,0,0]=4 111 B7R0.16 C[C@H](N)C(=O)N(C)C P36061 [0,0,0,0,2,0|2,0,0]=4 112 B7R0.16 C[C@H](N)C(=O)N(C)C P42054 [0,0,0,0,2,0|2,0,0]=4