0 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 C#CC(=O)N WXVL_AK0084SB0338 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 C#CC(=O)N WXVL_AK0084SB0338 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [1,0,0,0,0,0|1,0,0]=2 13 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,1,0,0,0,0|2,1,0]=4 31 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,1,0,0,0,0|2,1,0]=4 32 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.3 CCC(=O)N(C)C WXVL_AN0032SB0064 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.3 CCC(=O)N(C)C WXVL_AN0032SB0064 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.3 CN(C)C(=O)CO WXVL_AN0032SB2706 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.3 CN(C)C(=O)CO WXVL_AN0032SB2706 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.3 CNC(=O)C(C)C WXVL_AK00442SB0052 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.3 CNC(=O)C(C)C WXVL_AK00442SB0052 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.3 CNC(=O)C(C)S WXVL_AK00442SB2708 [0,1,0,0,0,0|2,1,0]=4 41 B6R0.3 CNC(=O)C(C)S WXVL_AK00442SB2708 [0,1,0,0,0,0|2,1,0]=4 42 B6R0.3 CNC(=O)C(F)F WXVL_AK00442SB0079 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.3 CNC(=O)C(F)F WXVL_AK00442SB0079 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.3 CNC(=O)[C@@H](C)O WXVL_AK00442SB1085 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.3 CNC(=O)[C@@H](C)O WXVL_AK00442SB1085 [0,1,0,0,0,0|2,0,0]=3 46 B3R0.2 CC(=O)N WXVL_AK0084SB0150 [2,0,0,0,0,0|1,0,0]=3 47 B3R0.2 CC(=O)N WXVL_AK0084SB0150 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,1,0,0,0,0|2,0,0]=4 51 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,1,0,0,0,0|1,1,0]=4 59 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,1,0,0,0,0|1,1,0]=4 60 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,1,0,0,0,0|2,0,0]=4 62 B5R0.5 CC(=O)C(=O)N WXVL_AK0084SB0051 [1,1,0,0,0,0|0,0,2]=4 63 B5R0.5 CC(=O)C(=O)N WXVL_AK0084SB0051 [1,1,0,0,0,0|0,0,2]=4 64 B5R0.5 CC(=O)N(C)C WXVL_AN0032SB0150 [1,1,0,0,0,0|2,0,0]=4 65 B5R0.5 CC(=O)N(C)C WXVL_AN0032SB0150 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.5 CC(C)C(=O)N WXVL_AK0084SB0052 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.5 CC(C)C(=O)N WXVL_AK0084SB0052 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.5 CC(S)C(=O)N WXVL_AK0084SB2708 [1,1,0,0,0,0|1,1,0]=4 69 B5R0.5 CC(S)C(=O)N WXVL_AK0084SB2708 [1,1,0,0,0,0|1,1,0]=4 70 B5R0.5 C[C@@H](O)C(=O)N WXVL_AK0084SB1085 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.5 C[C@@H](O)C(=O)N WXVL_AK0084SB1085 [1,1,0,0,0,0|1,0,0]=3 72 B5R0.5 NC(=O)C(F)F WXVL_AK0084SB0079 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.5 NC(=O)C(F)F WXVL_AK0084SB0079 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,2,0,0,0,0|2,0,0]=4 78 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,2,0,0,0,0|1,0,0]=3 100 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,2,0,0,0,0|1,1,0]=4 103 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,2,0,0,0,0|1,1,0]=4 104 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,2,0,0,0,0|1,0,0]=3 119 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,2,0,0,0,0|1,1,0]=4 121 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,2,0,0,0,0|1,1,0]=4 122 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [0,2,0,0,0,0|2,0,0]=4 126 B7R0.14 CNC(=O)C(C)(C)O WXVL_AK00442SB0125 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.14 CNC(=O)C(C)(C)O WXVL_AK00442SB0125 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.16 C[C@@H](O)C(=O)N(C)C WXVL_AN0032SB1085 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.16 C[C@@H](O)C(=O)N(C)C WXVL_AN0032SB1085 [0,2,0,0,0,0|2,0,0]=4