0 B6R0.2 CC(=O)NC(C)C P50955 [1,0,0,0,0,0|3,0,0]=4 1 B6R0.2 CC(O)CC(=O)O P38963 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.2 CN(C)CC(N)=O P36935 [1,0,0,0,0,0|1,0,1]=3 3 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.5 CC(C)(C)CCN O30845 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.5 CC(C)(C)CNN H-8571 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.5 CNCC(C)(C)C P38864 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.24 C#CC(=O)OC(C)(C)C P41445 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.24 CC(C)(C)NC(=O)CCl P40932 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.24 CC(C)(C)OC(=O)CN P36852 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.24 CNC(=O)OC(C)(C)C P40845 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.27 CC(C)(C)C(O)C(=O)O M23224 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O P39602 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.27 CC(C)(C)[C@H](O)C(=O)O P39705 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Q68942 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Q68916 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.27 CC(C)(S)C(N)C(=O)O Q68947 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O I-9879 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68945 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68949 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.34 COC(C)(C)CC(=O)O O32626 [0,1,0,0,0,0|1,0,1]=3 25 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.51 CC1(C)CNC(=O)C1 P36730 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.51 CC1(C)COC(=O)N1 C-3461 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.51 CC1(O)CNC(=O)C1 Q59288 [0,0,0,1,0,0|3,0,0]=4 33 B6R0.7 CC(C)(C)S(N)=O G-6674 [0,0,0,0,1,0|3,0,0]=4 34 B6R0.7 CC(C)(N)C(N)=O P40473 [0,0,0,0,1,0|3,0,0]=4 35 B8R0.29 CC(C)(C)NCC(=O)O P37230 [0,0,0,0,0,1|1,0,1]=3 36 B8R0.29 CC(C)(C)OCC(=O)O P41693 [0,0,0,0,0,1|1,0,1]=3 37 B5R0.4 CC(C)(C)CBr P36951 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.4 C[Si](C)(C)CI M23058 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.2 C=CC(=O)CC(C)C L19279 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.2 COC(=O)CN(C)C P36457 [1,1,0,0,0,0|0,0,2]=4 41 B7R0.16 CC(C(=O)O)N(C)C P40714 [1,1,0,0,0,0|0,0,2]=4 42 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.13 CC(=O)C(C)(C)CO O34551 [0,1,0,0,1,0|2,0,0]=4 44 B7R0.13 CC(C)(CN)C(=O)O P40193 [0,1,0,0,1,0|1,0,1]=4 45 B7R0.13 CC(C)(CN)C(N)=O G-7517 [0,1,0,0,1,0|2,0,0]=4 46 B7R0.13 CNC(C)(C)C(=O)O P39308 [0,1,0,0,1,0|1,0,1]=4 47 B9R0.57 CC(C)(C)CC(N)C(=O)O P42786 [0,1,0,0,0,1|1,0,1]=4 48 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O P35494 [0,1,0,0,0,1|1,0,1]=4 49 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O P37339 [0,1,0,0,0,1|1,0,1]=4 50 B9R0.57 CC(NC(C)(C)C)C(=O)O L19939 [0,1,0,0,0,1|1,0,1]=4 51 B9R0.22 COC(C)(C)CC(=O)NN O32439 [0,2,0,0,0,0|2,0,0]=4 52 B9R0.25 COC(=O)C(N)C(C)(C)C P39601 [0,2,0,0,0,0|1,0,1]=4 53 B9R0.25 COC(=O)[C@H](N)C(C)(C)C P40707 [0,2,0,0,0,0|1,0,1]=4 54 B9R0.72 CC(C)(C)C(CN)C(=O)O M23308 [0,2,0,0,0,0|1,0,1]=4 55 B9R0.72 CC(C)(C)[C@@H](CN)C(=O)O Q69008 [0,2,0,0,0,0|1,0,1]=4 56 B9R0.72 CC(C)(C)[C@H](CN)C(=O)O Q69010 [0,2,0,0,0,0|1,0,1]=4 57 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.12 CC1CC1C(=O)Cl O31612 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.16 CC1(C)CC(=O)C1 L21874 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.16 CC1(C)CC(=O)N1 P45568 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.20 O=C(Cl)CC1CC1 Q54347 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.17 CC1(C)CCC1=O Q54759 [0,0,0,1,1,0|2,0,0]=4 69 B7R1.17 CC1(C)CNC1=O P45241 [0,0,0,1,1,0|2,0,0]=4 70 B7R1.19 CC1(C(=O)Cl)CC1 L13117 [0,0,0,1,1,0|2,0,0]=4 71 B7R1.19 CC1(C(=O)O)CC1 G-6948 [0,0,0,1,1,0|1,0,1]=4 72 B7R1.19 CC1(C(N)=O)CC1 O34284 [0,0,0,1,1,0|2,0,0]=4 73 B9R1.10 CC1(C)CCC(=O)NC1 Q63050 [0,0,0,1,0,1|2,0,0]=4 74 B9R1.10 CC1(C)CNC(=O)CN1 L13881 [0,0,0,1,0,1|2,0,0]=4 75 B9R1.51 CC(C)(C)C1CC(=O)C1 O33223 [0,0,0,1,0,1|2,0,0]=4 76 B9R1.164 CC1(C)CC(C(=O)O)C1 G-7355 [0,0,0,1,0,1|1,0,1]=4 77 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 P50099 [0,0,0,1,0,1|2,0,0]=4 78 B9R1.36 CC1CC(C)(C)CC1=O Q61089 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.111 CC1(C(N)C(=O)O)CC1 L14530 [0,1,0,1,0,0|1,0,1]=4 83 B9R1.111 CC1([C@H](N)C(=O)O)CC1 G-7090 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.138 CC1(C)CNC(=O)C1O Q61925 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.166 CC1(C)CCC1C(=O)O P45623 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.166 CC1(C)CN[C@@H]1C(=O)O L13876 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.166 CC1(C)CN[C@H]1C(=O)O P46143 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.166 CC1(C)OCC1C(=O)O Q52795 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.125 CC1(CO)CNC(=O)C1 Q61575 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.171 CC1(CC(=O)O)CCC1 P43813 [0,1,0,1,0,0|1,0,1]=4 91 B9R2.38 CC12CC(=O)CC1C2 Q63055 [0,0,0,2,0,0|2,0,0]=4 92 B9R2.139 O=C1CC2(CC2)CO1 O33397 [0,0,0,2,0,0|1,0,1]=4 93 B9R2.139 O=C1CCC2(CC2)C1 Q62619 [0,0,0,2,0,0|2,0,0]=4 94 B9R2.143 O=C(O)C1CC12CC2 L18059 [0,0,0,2,0,0|1,0,1]=4 95 B7R0.6 CC(C)=CCC(=O)O P43260 [1,0,0,0,0,1|1,0,1]=4 96 B7R0.6 CC(C)OCC(=O)O P38749 [1,0,0,0,0,1|1,0,1]=4