0 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68973 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68975 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.53 CC(C)C[C@H](N)CC(=O)O P39532 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.53 CC(C)C[C@H](N)CC(=O)O Q68972 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.31 CC(C)CC(O)CC(C)(C)O O29732 [0,1,0,0,0,0|0,0,0]=1 5 B10R0.44 COC(=O)C[C@@H](N)CC(C)C Q68971 [0,1,0,0,0,0|2,0,1]=4 6 B10R1.54 CC(C)NC1CCN(C)C1 Q59418 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.329 CC1CC(=O)CC(C)(C)C1 P44666 [0,0,0,1,0,0|0,0,2]=3 8 B10R1.329 CC1CC(N)CC(C)(C)C1 P47827 [0,0,0,1,0,0|1,0,0]=2 9 B10R1.329 CN1CC(O)CC(F)(F)C1 Q62889 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.329 C[C@H]1C[C@@H](N)CC(C)(C)C1 P46946 [0,0,0,1,0,0|1,0,0]=2 11 B8R0.23 CC(C)C(N)CN(C)C P36129 [0,0,0,0,1,0|2,0,0]=3 12 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,0,0,0,1,0|2,0,1]=4 13 B8R0.23 CC(C)[C@@H](N)CN(C)C P37903 [0,0,0,0,1,0|2,0,0]=3 14 B8R0.23 CC(C)[C@H](N)CN(C)C P35834 [0,0,0,0,1,0|2,0,0]=3 15 B7R0.2 CC[C@H](N)CN(C)C Q66181 [2,0,0,0,0,0|2,0,0]=4 16 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [1,1,0,0,0,0|1,0,1]=4 17 B9R1.13 CC(C)CC1CCNC1 S72560 [1,0,0,1,0,0|2,0,0]=4 18 B9R1.13 CC(O)CC1CCCN1 Q59227 [1,0,0,1,0,0|2,0,0]=4 19 B9R1.13 CN(C)CC1CCCN1 O28921 [1,0,0,1,0,0|2,0,0]=4 20 B9R1.13 CN(C)C[C@@H]1CCCN1 L22126 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.13 CN(C)C[C@H]1CCCN1 I-9768 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.22 CCC1CN(C)CC1N Q59350 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.22 N[C@H]1C[C@H](O)[C@H](CO)C1 Q55775 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.34 CC1CC(Br)CC(C)O1 Q57698 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.34 CC1CC(N)CC(C)O1 Q54459 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.34 C[C@@H]1C[C@H](O)C[C@H](C)C1 P45201 [1,0,0,1,0,0|0,0,0]=2 27 B9R1.34 C[C@H]1CC(Br)C[C@@H](C)O1 Q57870 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.34 C[C@H]1CC(N)C[C@@H](C)O1 Q61447 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.34 C[C@H]1CC(O)C[C@H](C)N1 Q61338 [1,0,0,1,0,0|1,0,0]=3 30 B9R1.34 C[C@H]1C[C@@H](O)C[C@@H](C)N1 Q61337 [1,0,0,1,0,0|1,0,0]=3 31 B9R1.41 CN(C)[C@@H]1CCC[C@@H]1O K10850 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.41 CN(C)[C@@H]1CNC[C@H]1O Q61913 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.66 CC1(C)CC(Br)CCO1 Q57806 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.66 CC1(C)CC(N)CCO1 Q55597 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.66 CC1(C)CC(O)CCN1 O34540 [1,0,0,1,0,0|1,0,0]=3 36 B9R1.66 CC1(C)CCCC(N)C1 P44411 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.66 CC1(C)CCCC(N)C1 Q52202 [1,0,0,1,0,0|1,0,0]=3 38 B9R1.66 CC1(C)CCC[C@@H](N)C1 P44800 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.66 CC1(C)CCC[C@H](N)C1 P44801 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.66 OC1CCCC(F)(F)C1 P44779 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.171 CC(=O)CC1(O)CCC1 P46719 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.171 CC(O)CC1(O)CCC1 P46731 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.35 CC(C)N1CC[C@@H](N)C1 L13925 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.35 CC(C)N1CC[C@H](N)C1 L13947 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.35 CC(C)N1CC[C@H](N)C1 P44406 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.49 CN1CCCC(N)CC1 C-2203 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.166 CC(C)C1NCC1(C)C P47256 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.36 CC1(C)CC(O)C(O)C1 Q61732 [0,0,0,1,1,0|1,0,0]=3 49 B9R1.36 CC1CC(C)(C)CC1=O Q61089 [0,0,0,1,1,0|0,0,2]=4 50 B9R1.55 CC(C)C1OC(C)C1N Q55960 [0,0,0,1,1,0|2,0,0]=4 51 B9R1.112 CC(C)C(C)NC1CC1 O30483 [0,0,0,1,1,0|2,0,0]=4 52 B9R1.153 CC1(O)CC(N)C1(C)C P47095 [0,0,0,1,1,0|2,0,0]=4 53 B9R1.153 CC1(O)CC(O)C1(C)C P50837 [0,0,0,1,1,0|1,0,0]=3 54 B11R1.75 CC(C)CNC1CCN(C)C1 Q59413 [0,0,0,1,0,1|2,0,0]=4 55 B11R1.108 CC(C)C1NC(=O)C1C(C)C P46838 [0,0,0,1,0,1|0,0,2]=4 56 B11R1.519 CC(C)C1OC(C(C)C)C1N Q55959 [0,1,0,1,0,0|1,0,0]=3 57 B11R1.1362 CC1(C)CC(=O)CC(C)(C)O1 G-7637 [0,1,0,1,0,0|0,0,2]=4 58 B11R1.1362 CC1(C)CC(Br)CC(C)(C)O1 Q52291 [0,1,0,1,0,0|1,0,0]=3 59 B11R1.1362 CC1(C)CC(I)CC(C)(C)O1 Q52292 [0,1,0,1,0,0|1,0,0]=3 60 B11R1.1362 CC1(C)CC(N)CC(C)(C)N1 Q65295 [0,1,0,1,0,0|1,0,0]=3 61 B11R1.1362 CC1(C)CC(N)CC(C)(C)O1 Q52290 [0,1,0,1,0,0|1,0,0]=3 62 B11R1.1362 CC1(C)CC(O)CC(C)(C)O1 L13707 [0,1,0,1,0,0|0,0,0]=2 63 B11R1.157 CC(C)CC1CC(N)CCO1 Q57695 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.414 CC(C)CC1(C=O)CC(C)C1 P43810 [0,1,0,1,0,0|0,0,1]=3 65 B11R2.845 CC(N)C1CC2CCC1C2 P45904 [0,0,0,2,0,0|2,0,0]=4 66 B11R2.845 CC(N)C1CC2CCC1C2 P45905 [0,0,0,2,0,0|2,0,0]=4 67 B11R2.433 NC1CC2CCN(CC2)C1 P44116 [0,0,0,2,0,0|2,0,0]=4 68 B7R0.5 CC(C)[C@H](N)CCO Q69023 [1,0,0,0,1,0|2,0,0]=4 69 B7R0.5 CCCC(C)C(C)N L19280 [1,0,0,0,1,0|2,0,0]=4