0 B7R0.6 O=C(O)COC(F)F 89985 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.9 C=C[C@@H](N)CCC(=O)O 20252 [0,1,0,0,0,0|1,0,2]=4 3 B8R0.9 C=C[C@@H](N)CCC(=O)O 33474 [0,1,0,0,0,0|1,0,2]=4 4 B8R0.9 C=C[C@@H](N)CCC(=O)O D87124 [0,1,0,0,0,0|1,0,2]=4 5 B8R0.9 CC(=O)NNC(=O)CBr C12845 [0,1,0,0,0,0|3,0,0]=4 6 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,1,0,0,0,0|1,0,2]=4 7 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19556 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.29 CS(C)(=O)=NCC(=O)O C77465 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.3 O=C1CCC(=O)NC1 65254 [0,0,0,1,0,0|1,0,0]=2 12 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.23 CC(=O)C1CC(O)C1 P17906 [0,0,0,1,0,0|1,0,1]=3 14 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,0,0,1,0,0|1,0,1]=3 15 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,0,0,1,0,0|1,0,1]=3 16 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [0,0,0,1,0,0|1,0,1]=3 17 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [0,0,0,1,0,0|1,0,1]=3 18 B8R1.77 CC1(C)C[C@@H]1C(N)=O P18982 [0,0,0,1,0,0|2,0,1]=4 19 B6R0.2 O=C(O)CC(F)F P18472 [0,0,0,0,1,0|2,0,1]=4 20 B8R0.28 NC(=O)CNCC(=O)O A10558 [0,0,0,0,0,1|1,0,0]=2 21 B5R0.2 N#CCCC=O F20778 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.3 CNC(=O)CCCO F10217 [1,1,0,0,0,0|0,0,1]=3 23 B7R0.4 CC(=O)OCCCO Y14698 [1,1,0,0,0,0|0,0,1]=3 24 B9R0.53 CC(C)C[C@H](O)CC(=O)O D96477 [0,1,0,0,0,1|1,0,1]=4 25 B9R0.11 CN(C)CC(F)(F)C(=O)O F53141 [0,2,0,0,0,0|2,0,0]=4 26 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31361 [0,2,0,0,0,0|1,0,1]=4 27 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31362 [0,2,0,0,0,0|1,0,1]=4 28 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 32003 [0,2,0,0,0,0|1,0,1]=4 29 B9R0.39 CC(C)C[C@@H](CN)C(=O)O F15243 [0,2,0,0,0,0|1,0,1]=4 30 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 81510 [0,2,0,0,0,0|1,0,1]=4 31 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O AT26519 [0,2,0,0,0,0|1,1,0]=4 32 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O 25814 [0,2,0,0,0,0|1,0,1]=4 33 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [1,0,0,1,0,0|1,0,1]=4 35 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [1,0,0,1,0,0|0,0,1]=3 36 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [1,0,0,1,0,0|0,0,1]=3 37 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [1,0,0,1,0,0|0,0,2]=4 41 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [1,0,0,1,0,0|0,0,2]=4 42 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,0,0,1,0,1|1,0,1]=4 43 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [0,0,0,1,0,1|1,0,1]=4 44 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [0,0,0,1,0,1|0,0,2]=4 45 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [0,0,0,1,0,1|0,0,2]=4 46 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 P17325 [0,0,0,1,0,1|0,1,1]=4 47 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 P12403 [0,0,0,1,0,1|1,0,0]=3 48 B9R1.166 CC1(C)CC[C@@H]1C(=O)O W15641 [0,0,0,1,0,1|1,0,1]=4 49 B9R1.166 CC1(C)CN[C@@H]1C(=O)O D79163 [0,0,0,1,0,1|1,0,1]=4 50 B9R1.55 CN1C[C@@H](C(=O)O)C1=O P20405 [0,1,0,1,0,0|1,0,0]=3 51 B9R1.69 C[C@@H]1OC(=O)COC1=O D75679 [0,1,0,1,0,0|1,0,0]=3 52 B9R1.95 N#CC1CC(C(=O)O)C1 86884 [0,1,0,1,0,0|1,0,1]=4 53 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 D77011 [0,1,0,1,0,0|1,0,1]=4 54 B9R1.112 O=C(O)[C@@H](O)CC1CC1 69647 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT26814 [0,1,0,1,0,0|1,0,1]=4 56 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 P14629 [0,1,0,1,0,0|1,0,1]=4 57 B9R1.152 NC1(C(=O)O)CC(O)C1 P17228 [0,1,0,1,0,0|0,0,2]=4 58 B9R1.152 NC1CC(F)(C(=O)O)C1 D79210 [0,1,0,1,0,0|1,0,1]=4 59 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 P13808 [0,1,0,1,0,0|1,0,1]=4 60 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 P18177 [0,1,0,1,0,0|0,0,2]=4 61 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 38906 [0,1,0,1,0,0|0,0,2]=4 62 B9R1.164 O=C(O)C1CS(=O)(=O)C1 20475 [0,1,0,1,0,0|1,0,0]=3