0 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [1,0,0,0,0,0|3,0,0]=4 1 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.16 CC(=O)N(C)C(C)C WXVL_AN0073SB0150 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.16 CC(=O)N(C)C(C)C WXVL_AN0073SB0150 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.16 CC(C)C(=O)C(=O)N WXVL_AK0084SB2578 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.16 CC(C)C(=O)C(=O)N WXVL_AK0084SB2578 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.16 CC(C)C(O)C(=O)N WXVL_AK0084SB1147 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.16 CC(C)C(O)C(=O)N WXVL_AK0084SB1147 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.41 CC(=O)N1CCC[C@H]1C WXVL_AN00593SB0150 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.41 CC1CCCC1C(=O)N WXVL_AK0084SB0904 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.41 CC1CCCC1C(=O)N WXVL_AK0084SB0904 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.41 CN1CCC[C@H]1C(=O)N WXVL_AK0084SB1197 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.41 CN1CCC[C@H]1C(=O)N WXVL_AK0084SB1197 [0,0,0,1,0,0|3,0,0]=4 27 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,0,0,0,0,1|2,0,1]=4 28 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,0,0,0,0,1|2,0,1]=4 29 B9R0.42 CC[C@H](C)NC(=O)C(=O)N WXVL_AK00678SB0128 [0,0,0,0,0,1|2,0,1]=4 30 B9R0.42 CC[C@H](C)NC(=O)C(=O)N WXVL_AK00678SB0128 [0,0,0,0,0,1|2,0,1]=4 31 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [2,0,0,0,0,0|0,0,1]=3 50 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [2,0,0,0,0,0|0,0,1]=3 51 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [2,0,0,0,0,0|0,0,1]=3 52 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [2,0,0,0,0,0|0,0,1]=3 53 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [2,0,0,0,0,0|1,0,1]=4 57 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [1,1,0,0,0,0|2,0,0]=4 66 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [1,1,0,0,0,0|1,0,0]=3 72 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [1,1,0,0,0,0|2,0,0]=4 75 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.23 CC(C)N(C)CC(=O)N WXVL_AK0084SB0019 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.23 CC(C)N(C)CC(=O)N WXVL_AK0084SB0019 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.12 CCCC(C)(C)C(=O)N WXVL_AK0084SB0372 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.12 CCCC(C)(C)C(=O)N WXVL_AK0084SB0372 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.27 CC(C)(C)[C@H](O)C(=O)N WXVL_AK0084SB3694 [1,1,0,0,0,0|2,0,0]=4 94 B8R0.27 CC(C)(C)[C@H](O)C(=O)N WXVL_AK0084SB3694 [1,1,0,0,0,0|2,0,0]=4 95 B10R0.54 CC[C@H](C)[C@@H](CO)NC(=O)C WXVL_AK0788SB0150 [0,1,0,0,0,1|2,0,0]=4 96 B10R0.54 CC[C@H](C)[C@@H](CO)NC(=O)C WXVL_AK0788SB0150 [0,1,0,0,0,1|2,0,0]=4 97 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.42 CC(=O)NC1(CC1)C WXVL_AK0263SB0150 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.42 CC(=O)NC1(CC1)C WXVL_AK0263SB0150 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.78 CC1(CCC1)C(=O)N WXVL_AK0084SB0805 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.78 CC1(CCC1)C(=O)N WXVL_AK0084SB0805 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.78 NC(=O)C1(CCC1)Br WXVL_AK0084SB0465 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.78 NC(=O)C1(CCC1)Br WXVL_AK0084SB0465 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.78 NC(=O)C1(CCC1)F WXVL_AK0084SB0033 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.78 NC(=O)C1(CCC1)F WXVL_AK0084SB0033 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.77 CC1(CC1C(=O)N)C WXVL_AK0084SB0012 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.77 CC1(CC1C(=O)N)C WXVL_AK0084SB0012 [1,0,0,1,0,0|2,0,0]=4 117 B10R1.266 CC(=O)NC(C)C1CCC1 WXVL_AK00681SB0150 [0,0,0,1,0,1|2,0,0]=4 118 B10R1.266 CC(=O)NC(C)C1CCC1 WXVL_AK00681SB0150 [0,0,0,1,0,1|2,0,0]=4 119 B10R1.113 CC1CCCC(C1)C(=O)N WXVL_AK0084SB5392 [0,0,0,1,0,1|2,0,0]=4 120 B10R1.113 CC1CCCC(C1)C(=O)N WXVL_AK0084SB5392 [0,0,0,1,0,1|2,0,0]=4 121 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.149 C[C@@H]1CCCN1C(=O)CO WXVL_AN00593SB2706 [0,1,0,1,0,0|2,0,0]=4 124 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [1,0,0,0,0,1|2,0,0]=4 125 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [1,0,0,0,0,1|2,0,0]=4