0 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.2 C#C[C@@H](C)NC(=O)C WXVL_AK00735SB0150 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.2 C#C[C@@H](C)NC(=O)C WXVL_AK00735SB0150 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.2 CC(=O)NC(C)C#N WXVL_AK00810SB0150 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.2 CC(=O)NC(C)C#N WXVL_AK00810SB0150 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O WXVL_AK00602SB0150 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O WXVL_AK00602SB0150 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.41 COC(OC)C(=O)N(C)C WXVL_AN0032SB8546 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.41 COC(OC)C(=O)N(C)C WXVL_AN0032SB8546 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.13 NC(=O)CC1CCCC1 WXVL_AK0084SB0044 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.13 NC(=O)CC1CCCC1 WXVL_AK0084SB0044 [0,0,0,1,0,0|3,0,0]=4 28 B7R0.15 CCC(CC)C(=O)N WXVL_AK0084SB0055 [0,0,0,0,1,0|3,0,0]=4 29 B7R0.15 CCC(CC)C(=O)N WXVL_AK0084SB0055 [0,0,0,0,1,0|3,0,0]=4 30 B7R0.15 CCN(CC)C(=O)C WXVL_AN0042SB0150 [0,0,0,0,1,0|3,0,0]=4 31 B7R0.15 CCN(CC)C(=O)C WXVL_AN0042SB0150 [0,0,0,0,1,0|3,0,0]=4 32 B7R0.15 COC(OC)C(=O)N WXVL_AK0084SB8546 [0,0,0,0,1,0|1,0,0]=2 33 B7R0.15 COC(OC)C(=O)N WXVL_AK0084SB8546 [0,0,0,0,1,0|1,0,0]=2 34 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [2,0,0,0,0,0|1,1,0]=4 47 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [2,0,0,0,0,0|1,1,0]=4 48 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [1,1,0,0,0,0|1,0,0]=3 53 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [1,1,0,0,0,0|1,0,0]=3 54 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [1,1,0,0,0,0|1,0,0]=3 55 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [1,1,0,0,0,0|1,0,0]=3 56 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [1,1,0,0,0,0|1,0,0]=3 59 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [1,1,0,0,0,0|1,0,0]=3 60 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [1,1,0,0,0,0|1,0,0]=3 61 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [1,1,0,0,0,0|1,0,0]=3 63 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [1,1,0,0,0,0|1,0,0]=3 64 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [1,1,0,0,0,0|2,0,0]=4 66 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [1,1,0,0,0,0|0,0,2]=4 67 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [1,1,0,0,0,0|0,0,2]=4 68 B8R0.20 CNC(=O)C(OC)OC WXVL_AK00442SB8546 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.20 CNC(=O)C(OC)OC WXVL_AK00442SB8546 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.54 CCC(NC(=O)C)C(=O)OC WXVL_AK0811SB0150 [0,2,0,0,0,0|2,0,0]=4 71 B10R0.54 CCC(NC(=O)C)C(=O)OC WXVL_AK0811SB0150 [0,2,0,0,0,0|2,0,0]=4 72 B10R0.79 CCOC(CC(=O)N)OCC WXVL_AK0084SB3104 [0,2,0,0,0,0|1,0,0]=3 73 B10R0.79 CCOC(CC(=O)N)OCC WXVL_AK0084SB3104 [0,2,0,0,0,0|1,0,0]=3 74 B10R0.79 COCC(COC)NC(=O)C WXVL_AK2244SB0150 [0,2,0,0,0,0|1,0,0]=3 75 B10R0.79 COCC(COC)NC(=O)C WXVL_AK2244SB0150 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.42 CC(=O)NC1(CC1)C WXVL_AK0263SB0150 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.42 CC(=O)NC1(CC1)C WXVL_AK0263SB0150 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,0,0,1,1,0|2,0,0]=4 81 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,0,0,1,1,0|2,0,0]=4 82 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,0,0,1,1,0|2,0,0]=4 83 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,0,0,1,1,0|2,0,0]=4 84 B10R1.31 COC1CCN(C1)C(=O)C WXVL_AN0570SB0150 [0,0,0,1,0,1|1,0,0]=3 85 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [0,0,0,1,0,1|2,0,0]=4 86 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [0,0,0,1,0,1|2,0,0]=4 87 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [0,0,0,1,0,1|1,0,0]=3 88 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [0,0,0,1,0,1|1,0,0]=3 89 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.18 NC(=O)CC1COCCO1 WXVL_AK0084SB2988 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.18 NC(=O)CC1COCCO1 WXVL_AK0084SB2988 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.227 CCC1(COC1)NC(=O)C WXVL_AK2065SB0150 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.227 CCC1(COC1)NC(=O)C WXVL_AK2065SB0150 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.227 COC1(CCC1)CC(=O)N WXVL_AK0084SB0032 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.227 COC1(CCC1)CC(=O)N WXVL_AK0084SB0032 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [0,1,0,1,0,0|2,0,0]=4 101 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,0,0,0,1,0|2,0,0]=4 102 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,0,0,0,1,0|2,0,0]=4 103 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,0,0,0,1,0|2,0,0]=4 104 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,0,0,0,1,0|2,0,0]=4 105 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,0,0,0,1,0|2,0,0]=4 106 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,0,0,0,1,0|2,0,0]=4 107 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [1,0,0,0,1,0|1,0,0]=3 108 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [1,0,0,0,1,0|1,0,0]=3 109 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [1,0,0,0,0,1|2,0,0]=4 110 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [1,0,0,0,0,1|2,0,0]=4 111 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [1,0,0,0,0,1|0,0,0]=2 112 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [1,0,0,0,0,1|0,0,0]=2