0 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|1,1,0]=2 21 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|1,1,0]=2 22 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|1,1,0]=3 45 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|1,1,0]=3 46 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|1,1,0]=3 65 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|1,1,0]=3 66 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|1,0,0]=2 68 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,0,0,0,0|3,0,0]=4 78 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|3,0,0]=4 80 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|2,1,0]=4 83 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|2,1,0]=4 84 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|1,1,0]=3 85 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|1,1,0]=3 86 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|3,0,0]=4 90 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|3,0,0]=4 91 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|3,0,0]=4 95 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|3,0,0]=4 96 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,1,0,0,0,0|1,0,1]=3 103 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|3,0,0]=4 115 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|3,0,0]=4 116 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|3,0,0]=4 117 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|3,0,0]=4 118 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|1,0,0]=2 119 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|1,0,0]=2 120 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|2,0,0]=3 122 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|3,0,0]=4 123 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|3,0,0]=4 124 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|2,0,0]=3 126 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|3,0,0]=4 130 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.8 C#CCCC(=O)N(C)C WXVL_AN0032SB2189 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.8 C#CCCC(=O)N(C)C WXVL_AN0032SB2189 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|3,0,0]=4 137 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|3,0,0]=4 138 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|3,0,0]=4 139 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|3,0,0]=4 140 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|3,0,0]=4 141 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|3,0,0]=4 144 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,1,0,0,0,0|3,0,0]=4 145 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,1,0,0,0,0|3,0,0]=4 146 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,1,0,0,0,0|3,0,0]=4 147 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,1,0,0,0,0|3,0,0]=4 148 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,1,0,0,0,0|1,1,0]=3 149 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,1,0,0,0,0|1,1,0]=3 150 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,1,0,0,0,0|1,0,0]=2 151 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,1,0,0,0,0|1,0,0]=2 152 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,0,0,0,0|3,0,0]=4 158 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,0,0,0,0|3,0,0]=4 160 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|2,0,0]=3 161 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,1,0,0,0,0|3,0,0]=4 163 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,1,0,0,0,0|3,0,0]=4 164 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,0,0,0,0|2,0,0]=3 165 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,1,0,0,0,0|2,0,0]=3 167 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,1,0,0,0,0|2,0,0]=3 168 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,1,0,0,0,0|3,0,0]=4 170 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,1,0,0,0,0|3,0,0]=4 172 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,1,0,0,0,0|3,0,0]=4 173 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,1,0,0,0,0|3,0,0]=4 174 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,1,0,0,0,0|3,0,0]=4 175 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,1,0,0,0,0|3,0,0]=4 176 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,0,0,0,0|3,0,0]=4 182 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,0,0,0,0|2,0,0]=3 186 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,0,0,0,0|2,0,0]=3 187 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,1,0,0,0,0|1,0,1]=3 189 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,1,0,0,0,0|3,0,0]=4 191 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.25 CNS(=O)(=O)CCOC WXVL_AK00442HU0155 [0,1,0,0,0,0|2,1,0]=4 193 B8R0.25 CNS(=O)(=O)CCOC WXVL_AK00442HU0155 [0,1,0,0,0,0|2,1,0]=4 194 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,0,0,1,0,0|3,0,0]=4 206 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 207 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 208 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|1,1,0]=4 211 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|1,1,0]=4 212 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|1,0,0]=3 213 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|1,0,0]=3 214 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 215 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|1,1,0]=4 217 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|1,1,0]=4 218 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|2,0,0]=4 220 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|1,0,0]=3 221 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|1,0,0]=3 224 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [1,1,0,0,0,0|0,1,1]=4 227 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [1,1,0,0,0,0|0,1,1]=4 228 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|1,0,0]=3 230 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|1,1,0]=4 239 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|1,1,0]=4 240 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|1,0,0]=3 250 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|1,0,1]=4 253 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|1,0,1]=4 254 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|1,0,0]=3 256 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|1,0,0]=3 259 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|1,0,0]=3 260 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|1,1,0]=4 261 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|1,1,0]=4 262 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,1,0,0,0,0|1,0,1]=4 266 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|2,0,0]=4 272 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|1,0,0]=3 274 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,1,0,0,0,0|0,0,0]=2 275 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,1,0,0,0,0|0,0,0]=2 276 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [1,1,0,0,0,0|2,0,0]=4 283 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [1,1,0,0,0,0|2,0,0]=4 284 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|2,0,0]=4 285 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|2,0,0]=4 286 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|2,0,0]=4 287 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|2,0,0]=4 288 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|2,0,0]=4 290 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|2,0,0]=4 291 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|2,0,0]=4 292 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [1,1,0,0,0,0|2,0,0]=4 293 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [1,1,0,0,0,0|2,0,0]=4 294 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,2,0,0,0,0|1,1,0]=4 295 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,2,0,0,0,0|1,1,0]=4 296 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|1,0,0]=3 297 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|1,0,0]=3 298 B9R0.5 C#CCC(=O)NCCSC WXVL_AK00440SB3070 [0,2,0,0,0,0|1,0,1]=4 299 B9R0.5 C#CCC(=O)NCCSC WXVL_AK00440SB3070 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.5 C#CCCNC(=O)COC WXVL_AK3109SB0090 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.5 C#CCCNC(=O)COC WXVL_AK3109SB0090 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|2,0,0]=4 303 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|2,0,0]=4 304 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|1,0,0]=3 305 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,2,0,0,0,0|1,0,1]=4 307 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,2,0,0,0,0|1,0,1]=4 308 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|1,0,1]=4 309 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|1,0,1]=4 310 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|2,0,0]=4 311 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|2,0,0]=4 312 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|2,0,0]=4 317 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|2,0,0]=4 318 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,0]=3 319 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,0]=3 320 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|1,1,0]=4 321 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|1,1,0]=4 322 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|2,0,0]=4 323 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|2,0,0]=4 324 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|2,0,0]=4 325 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|2,0,0]=4 326 B9R0.5 COCC(=O)NCCC#N WXVL_AK0087SB0090 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.5 COCC(=O)NCCC#N WXVL_AK0087SB0090 [0,2,0,0,0,0|2,0,0]=4 328 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|2,0,0]=4 330 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|0,0,0]=2 331 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|0,0,0]=2 332 B9R0.5 CSCCNC(=O)CC#N WXVL_AK00440SB0057 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.5 CSCCNC(=O)CC#N WXVL_AK00440SB0057 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|0,1,0]=3 335 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|0,1,0]=3 336 B9R0.8 CCC(=O)N(C)CCOC WXVL_AN0085SB0064 [0,2,0,0,0,0|1,1,0]=4 337 B9R0.8 CCC(=O)N(C)CCOC WXVL_AN0085SB0064 [0,2,0,0,0,0|1,1,0]=4 338 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|2,0,0]=4 339 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|2,0,0]=4 340 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,2,0,0,0,0|2,0,0]=4 341 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,2,0,0,0,0|2,0,0]=4 342 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|1,1,0]=4 343 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|1,1,0]=4 344 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|1,0,0]=3 345 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|1,0,0]=3 346 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,1,0]=4 347 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,1,0]=4 348 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|1,0,0]=3 349 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,2,0,0,0,0|2,0,0]=4 351 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,2,0,0,0,0|2,0,0]=4 352 B9R0.18 COCCC(=O)NCC#N WXVL_AK0683SB0156 [0,2,0,0,0,0|1,1,0]=4 353 B9R0.18 COCCC(=O)NCC#N WXVL_AK0683SB0156 [0,2,0,0,0,0|1,1,0]=4 354 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,2,0,0,0,0|1,1,0]=4 355 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,2,0,0,0,0|1,1,0]=4 356 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,2,0,0,0,0|1,0,0]=3 357 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,2,0,0,0,0|1,0,0]=3 358 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|1,0,0]=3 359 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|1,0,0]=3 360 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [0,2,0,0,0,0|1,1,0]=4 361 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [0,2,0,0,0,0|1,1,0]=4 362 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [0,2,0,0,0,0|1,1,0]=4 363 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [0,2,0,0,0,0|1,1,0]=4 364 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|2,0,0]=4 366 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 367 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,2,0,0,0,0|2,0,0]=4 369 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,2,0,0,0,0|2,0,0]=4 370 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,2,0,0,0,0|2,0,0]=4 371 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,2,0,0,0,0|2,0,0]=4 372 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,2,0,0,0,0|2,0,0]=4 373 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,2,0,0,0,0|2,0,0]=4 374 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|1,0,1]=4 375 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|1,0,1]=4 376 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [0,2,0,0,0,0|2,0,0]=4 377 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [0,2,0,0,0,0|2,0,0]=4 378 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,2,0,0,0,0|2,0,0]=4 380 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,2,0,0,0,0|2,0,0]=4 381 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,2,0,0,0,0|2,0,0]=4 382 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|2,0,0]=4 383 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|2,0,0]=4 384 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|2,0,0]=4 385 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|2,0,0]=4 386 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,2,0,0,0,0|2,0,0]=4 387 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,2,0,0,0,0|2,0,0]=4 388 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,2,0,0,0,0|2,0,0]=4 389 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,2,0,0,0,0|2,0,0]=4 390 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [0,2,0,0,0,0|2,0,0]=4 391 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [0,2,0,0,0,0|2,0,0]=4 393 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [0,2,0,0,0,0|2,0,0]=4 394 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [0,2,0,0,0,0|2,0,0]=4 396 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [0,2,0,0,0,0|2,0,0]=4 397 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [0,2,0,0,0,0|2,0,0]=4 398 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [0,2,0,0,0,0|2,0,0]=4 399 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [0,2,0,0,0,0|2,0,0]=4 400 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [0,2,0,0,0,0|2,0,0]=4 401 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [0,2,0,0,0,0|2,0,0]=4 402 B9R0.27 CNC(=O)C(C)C(=O)OC WXVL_AK00442SB5708 [0,2,0,0,0,0|1,0,1]=4 403 B9R0.27 CNC(=O)C(C)C(=O)OC WXVL_AK00442SB5708 [0,2,0,0,0,0|1,0,1]=4 404 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [0,2,0,0,0,0|2,0,0]=4 405 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [0,2,0,0,0,0|2,0,0]=4 406 B9R0.60 CNC(=O)C(C)(C)CSC WXVL_AK00442SBF473 [0,2,0,0,0,0|1,0,0]=3 407 B9R0.60 CNC(=O)C(C)(C)CSC WXVL_AK00442SBF473 [0,2,0,0,0,0|1,0,0]=3 408 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|2,0,0]=4 409 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|2,0,0]=4 410 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [0,2,0,0,0,0|2,0,0]=4 411 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [0,2,0,0,0,0|2,0,0]=4 412 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|2,0,0]=4 413 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|2,0,0]=4 414 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|2,0,0]=4 415 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|2,0,0]=4 416 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [0,2,0,0,0,0|2,0,0]=4 417 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [0,2,0,0,0,0|2,0,0]=4 418 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [0,2,0,0,0,0|2,0,0]=4 419 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [0,2,0,0,0,0|2,0,0]=4 420 B9R0.20 CCS(=O)(=O)NCCSC WXVL_AK00440HU0028 [0,2,0,0,0,0|2,0,0]=4 421 B9R0.20 CCS(=O)(=O)NCCSC WXVL_AK00440HU0028 [0,2,0,0,0,0|2,0,0]=4 422 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [0,2,0,0,0,0|1,1,0]=4 423 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [0,2,0,0,0,0|1,1,0]=4 424 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [0,2,0,0,0,0|1,0,0]=3 425 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [0,2,0,0,0,0|1,0,0]=3 426 B9R0.46 C#CC(=O)NCCCSC WXVL_AK0965SB0338 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.46 C#CC(=O)NCCCSC WXVL_AK0965SB0338 [0,2,0,0,0,0|1,0,1]=4 428 B9R0.46 C#CC(=O)NCCSCC WXVL_AK00494SB0338 [0,2,0,0,0,0|1,0,1]=4 429 B9R0.46 C#CC(=O)NCCSCC WXVL_AK00494SB0338 [0,2,0,0,0,0|1,0,1]=4 430 B9R0.46 C#CCOCCC(=O)NC WXVL_AK00442SBD927 [0,2,0,0,0,0|1,1,0]=4 431 B9R0.46 C#CCOCCC(=O)NC WXVL_AK00442SBD927 [0,2,0,0,0,0|1,1,0]=4 432 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|2,0,0]=4 433 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|2,0,0]=4 434 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,1,0]=4 435 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,1,0]=4 436 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|1,0,0]=3 437 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|2,0,0]=4 439 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|2,0,0]=4 440 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|1,0,0]=3 441 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|1,0,0]=3 442 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|2,0,0]=4 443 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|2,0,0]=4 444 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|2,0,0]=4 445 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|2,0,0]=4 446 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|2,0,0]=4 447 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|2,0,0]=4 448 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,1,0]=4 449 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,1,0]=4 450 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|2,0,0]=4 451 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|2,0,0]=4 452 B9R0.47 C=C(F)C(=O)NCCSC WXVL_AK00440SB1376 [0,2,0,0,0,0|1,0,1]=4 453 B9R0.47 C=C(F)C(=O)NCCSC WXVL_AK00440SB1376 [0,2,0,0,0,0|1,0,1]=4 454 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|2,0,0]=4 455 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|2,0,0]=4 456 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|2,0,0]=4 457 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|2,0,0]=4 458 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|2,0,0]=4 459 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|2,0,0]=4 460 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|2,0,0]=4 461 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|2,0,0]=4 462 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [0,2,0,0,0,0|2,0,0]=4 463 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [0,2,0,0,0,0|2,0,0]=4 464 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [0,2,0,0,0,0|2,0,0]=4 465 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [0,2,0,0,0,0|2,0,0]=4 466 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|1,0,0]=3 467 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|1,0,0]=3 468 B9R0.47 CSCCNC(=O)C(=O)N WXVL_AK00440SB0128 [0,2,0,0,0,0|2,0,0]=4 469 B9R0.47 CSCCNC(=O)C(=O)N WXVL_AK00440SB0128 [0,2,0,0,0,0|2,0,0]=4 470 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [0,2,0,0,0,0|1,0,0]=3 471 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [0,2,0,0,0,0|1,0,0]=3 472 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [0,2,0,0,0,0|1,0,0]=3 473 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [0,2,0,0,0,0|1,0,0]=3 474 B9R0.47 CSCCNC(=O)C(F)F WXVL_AK00440SB0079 [0,2,0,0,0,0|2,0,0]=4 475 B9R0.47 CSCCNC(=O)C(F)F WXVL_AK00440SB0079 [0,2,0,0,0,0|2,0,0]=4 476 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [0,2,0,0,0,0|1,0,0]=3 477 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [0,2,0,0,0,0|1,0,0]=3 478 B9R0.7 CC(=O)CCC(=O)N(C)C WXVL_AN0032SB0072 [0,2,0,0,0,0|2,0,0]=4 479 B9R0.7 CC(=O)CCC(=O)N(C)C WXVL_AN0032SB0072 [0,2,0,0,0,0|2,0,0]=4 480 B9R0.7 CC(C)CCC(=O)N(C)C WXVL_AN0032SB0354 [0,2,0,0,0,0|2,0,0]=4 481 B9R0.7 CC(C)CCC(=O)N(C)C WXVL_AN0032SB0354 [0,2,0,0,0,0|2,0,0]=4 482 B9R0.7 CN(C)CCC(=O)N(C)C WXVL_AN0032SB00052 [0,2,0,0,0,0|2,0,0]=4 483 B9R0.7 CN(C)CCC(=O)N(C)C WXVL_AN0032SB00052 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.42 CCC(C)CC(=O)N(C)C WXVL_AN0032SB0353 [0,2,0,0,0,0|2,0,0]=4 485 B9R0.42 CCC(C)CC(=O)N(C)C WXVL_AN0032SB0353 [0,2,0,0,0,0|2,0,0]=4 486 B9R0.42 CCC(O)CC(=O)N(C)C WXVL_AN0032SB4092 [0,2,0,0,0,0|2,0,0]=4 487 B9R0.42 CCC(O)CC(=O)N(C)C WXVL_AN0032SB4092 [0,2,0,0,0,0|2,0,0]=4 488 B9R0.42 CC[C@@H](C)CC(=O)N(C)C WXVL_AN0032SB8650 [0,2,0,0,0,0|2,0,0]=4 489 B9R0.42 CC[C@@H](C)CC(=O)N(C)C WXVL_AN0032SB8650 [0,2,0,0,0,0|2,0,0]=4 490 B9R0.42 COC(=O)CC(=O)N(C)C WXVL_AN0032SB2790 [0,2,0,0,0,0|1,0,1]=4 491 B9R0.42 COC(=O)CC(=O)N(C)C WXVL_AN0032SB2790 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.21 CNC(=O)CCS(=O)(=O)C WXVL_AK00442SB0009 [0,2,0,0,0,0|1,0,1]=4 493 B9R0.21 CNC(=O)CCS(=O)(=O)C WXVL_AK00442SB0009 [0,2,0,0,0,0|1,0,1]=4 494 B9R0.21 COC(=O)CCS(=O)(=O)N WXVL_AK0084HU0340 [0,2,0,0,0,0|1,0,1]=4 495 B9R0.21 COC(=O)CCS(=O)(=O)N WXVL_AK0084HU0340 [0,2,0,0,0,0|1,0,1]=4 496 B9R0.22 CNS(=O)(=O)CC(=O)OC WXVL_AK00442HU0075 [0,2,0,0,0,0|2,0,0]=4 497 B9R0.22 CNS(=O)(=O)CC(=O)OC WXVL_AK00442HU0075 [0,2,0,0,0,0|2,0,0]=4 498 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|1,0,0]=3 499 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|1,0,0]=3 500 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|2,0,0]=4 501 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|2,0,0]=4 502 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|2,0,0]=4 503 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|2,0,0]=4 504 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|2,0,0]=4 507 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|2,0,0]=4 508 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.82 C=C1CC(C1)C(=O)NC WXVL_AK00442SB0804 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.82 C=C1CC(C1)C(=O)NC WXVL_AK00442SB0804 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.82 CNC(=O)C1CN(C1)C WXVL_AK00442SB0021 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.82 CNC(=O)C1CN(C1)C WXVL_AK00442SB0021 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00442SB3648 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00442SB3648 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00442SB0837 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00442SB0837 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.186 CNC(=O)C1(COC1)C WXVL_AK00442SB0214 [0,1,0,1,0,0|1,1,0]=4 541 B9R1.186 CNC(=O)C1(COC1)C WXVL_AK00442SB0214 [0,1,0,1,0,0|1,1,0]=4 542 B9R1.79 C#CC(=O)NC1CSC1 WXVL_AK2089SB0338 [0,1,0,1,0,0|1,0,1]=4 543 B9R1.79 C#CC(=O)NC1CSC1 WXVL_AK2089SB0338 [0,1,0,1,0,0|1,0,1]=4 544 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.79 O=C(CO)NC1CSC1 WXVL_AK2089SB2706 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.79 O=C(CO)NC1CSC1 WXVL_AK2089SB2706 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.45 CC1CC1C(=O)N(C)C WXVL_AN0032SB0041 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.45 CC1CC1C(=O)N(C)C WXVL_AN0032SB0041 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.110 CN(C)C(=O)C1CCC1 WXVL_AN0032SB0042 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.110 CN(C)C(=O)C1CCC1 WXVL_AN0032SB0042 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.112 CN(C)C(=O)CC1CC1 WXVL_AN0032SB0155 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.112 CN(C)C(=O)CC1CC1 WXVL_AN0032SB0155 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.185 CNC(=O)C1CC1(C)C WXVL_AK00442SB0012 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.185 CNC(=O)C1CC1(C)C WXVL_AK00442SB0012 [0,1,0,1,0,0|2,0,0]=4