0 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|2,0,0]=3 74 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,1,0,0,0,0|3,0,0]=4 81 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,1,0,0,0,0|3,0,0]=4 91 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|1,0,0]=2 99 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|1,1,0]=3 101 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|1,1,0]=3 102 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|2,0,0]=3 104 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|2,0,0]=3 105 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|2,0,0]=3 108 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|2,0,0]=3 109 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|2,0,0]=3 110 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,0,0,0,0|3,0,0]=4 111 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,0,0,0,0|3,0,0]=4 112 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|2,0,0]=3 115 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,0,0,0,0|2,1,0]=4 117 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,0,0,0,0|2,1,0]=4 118 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,1,0,0,0,0|3,0,0]=4 121 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,1,0,0,0,0|3,0,0]=4 122 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,0,0,0,0|1,0,0]=2 125 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|1,0,1]=3 131 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|1,0,1]=3 132 B8R0.6 C#CC(=O)NCCCO WXVL_AK0073SB0338 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.6 C#CC(=O)NCCCO WXVL_AK0073SB0338 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,1,0,0,0,0|1,0,1]=3 137 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|1,0,2]=4 140 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|1,0,1]=3 141 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|1,0,1]=3 142 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|1,0,2]=4 143 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|1,0,2]=4 144 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|1,0,1]=3 145 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|1,0,1]=3 146 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|2,0,0]=3 149 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|2,0,0]=3 150 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|2,0,0]=3 152 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|1,0,0]=2 153 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|1,0,0]=2 154 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|2,0,0]=3 156 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|1,0,2]=4 157 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|1,0,2]=4 158 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|1,0,0]=2 159 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|3,0,0]=4 166 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|3,0,0]=4 168 B8R0.8 C#CCCC(=O)N(C)C WXVL_AN0032SB2189 [0,1,0,0,0,0|1,0,2]=4 169 B8R0.8 C#CCCC(=O)N(C)C WXVL_AN0032SB2189 [0,1,0,0,0,0|1,0,2]=4 170 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,1,0,0,0,0|1,0,2]=4 173 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,1,0,0,0,0|1,0,2]=4 174 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|3,0,0]=4 175 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|3,0,0]=4 176 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,1,0,0,0,0|3,0,0]=4 180 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|2,0,0]=3 181 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|3,0,0]=4 183 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|3,0,0]=4 184 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|2,0,0]=3 186 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|2,0,0]=3 187 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,1,0,0,0,0|3,0,0]=4 189 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,1,0,0,0,0|3,0,0]=4 190 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|2,0,0]=3 192 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,1,0,0,0,0|2,0,0]=3 193 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,1,0,0,0,0|2,0,0]=3 195 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,1,0,0,0,0|2,0,0]=3 196 B8R0.8 CN(C)C(=O)NCCCl WXVL_AN0032YV0092 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.8 CN(C)C(=O)NCCCl WXVL_AN0032YV0092 [0,1,0,0,0,0|3,0,0]=4 198 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,1,0,0,0,0|2,0,0]=3 199 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,1,0,0,0,0|2,0,0]=3 200 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,1,0,0,0,0|2,0,0]=3 202 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.9 C#CC(=O)NCC(C)C WXVL_AK00544SB0338 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.9 C#CC(=O)NCC(C)C WXVL_AK00544SB0338 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.9 C#CC(=O)NCC(C)O WXVL_AK0052SB0338 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.9 C#CC(=O)NCC(C)O WXVL_AK0052SB0338 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.9 C#CC(=O)NC[C@H](C)O WXVL_AK0113SB0338 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.9 C#CC(=O)NC[C@H](C)O WXVL_AK0113SB0338 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,1,0,0,0,0|3,0,0]=4 213 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,1,0,0,0,0|3,0,0]=4 214 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [0,1,0,0,0,0|1,0,2]=4 225 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [0,1,0,0,0,0|1,0,2]=4 226 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|1,0,1]=3 227 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|1,0,1]=3 228 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,0,0,0,0|1,0,0]=2 231 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,1,0,0,0,0|2,0,0]=3 233 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,1,0,0,0,0|2,0,0]=3 234 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,1,0,0,0,0|2,0,0]=3 241 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,1,0,0,0,0|2,0,0]=3 242 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,1,0,0,0,0|1,0,1]=3 245 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,1,0,0,0,0|1,0,1]=3 246 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,1,0,0,0,0|3,0,0]=4 247 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,1,0,0,0,0|3,0,0]=4 248 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,0,0,0,0|2,0,0]=3 252 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,1,0,0,0,0|3,0,0]=4 253 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,1,0,0,0,0|3,0,0]=4 254 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,1,0,0,0,0|3,0,0]=4 255 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,1,0,0,0,0|3,0,0]=4 256 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,0,0,0,0|1,0,0]=2 257 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,0,0,0,0|1,0,0]=2 258 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,0,0,0,0|1,0,0]=2 259 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,0,0,0,0|1,0,0]=2 260 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,0,0,0,0|1,0,0]=2 261 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,0,0,0,0|1,0,0]=2 262 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,1,0,0,0,0|3,0,0]=4 263 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,1,0,0,0,0|3,0,0]=4 264 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,1,0,0,0,0|1,0,1]=3 265 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,1,0,0,0,0|1,0,1]=3 266 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,1,0,0,0,0|2,0,0]=3 267 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,1,0,0,0,0|2,0,0]=3 268 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,1,0,0,0,0|3,0,0]=4 269 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,1,0,0,0,0|3,0,0]=4 270 B8R0.25 CNS(=O)(=O)CCCCl WXVL_AK00442HU0162 [0,1,0,0,0,0|3,0,0]=4 271 B8R0.25 CNS(=O)(=O)CCCCl WXVL_AK00442HU0162 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.25 CNS(=O)(=O)CCOC WXVL_AK00442HU0155 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.25 CNS(=O)(=O)CCOC WXVL_AK00442HU0155 [0,1,0,0,0,0|3,0,0]=4 274 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,0,1,0,0|1,0,0]=2 275 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,0,1,0,0|1,0,0]=2 276 B8R1.40 C#CC(=O)NC1CC1 WXVL_AK0001SB0338 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.40 C#CC(=O)NC1CC1 WXVL_AK0001SB0338 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,0,0,1,0,0|2,0,0]=3 279 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,0,0,1,0,0|1,0,0]=2 281 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,0,0,1,0,0|1,0,0]=2 282 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,0,0,1,0,0|3,0,0]=4 283 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,0,0,1,0,0|3,0,0]=4 284 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,0,0,1,0,0|1,0,0]=2 285 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,0,0,1,0,0|1,0,0]=2 286 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,0,0,1,0,0|2,0,0]=3 288 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,0,0,1,0,0|2,0,0]=3 290 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 291 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 292 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 293 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 294 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 295 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 296 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 297 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 298 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 299 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 300 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|2,0,0]=4 301 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|2,0,0]=4 302 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|2,0,0]=4 303 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|2,0,0]=4 304 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|1,0,0]=3 305 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|1,0,0]=3 306 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|1,0,0]=3 307 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|1,0,0]=3 308 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|2,0,0]=4 309 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|2,0,0]=4 310 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [1,1,0,0,0,0|1,0,1]=4 311 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [1,1,0,0,0,0|1,0,1]=4 312 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|1,0,0]=3 313 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|1,0,0]=3 314 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|2,0,0]=4 315 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|2,0,0]=4 316 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|2,0,0]=4 317 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|2,0,0]=4 319 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|2,0,0]=4 320 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|2,0,0]=4 321 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|2,0,0]=4 322 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|2,0,0]=4 323 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|2,0,0]=4 324 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|2,0,0]=4 325 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|2,0,0]=4 326 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|2,0,0]=4 327 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|2,0,0]=4 328 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,1,0,0,0,0|2,0,0]=4 329 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,1,0,0,0,0|2,0,0]=4 330 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,0]=3 331 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,0]=3 332 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|1,0,0]=3 333 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|1,0,0]=3 334 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|1,1,0]=4 335 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|1,1,0]=4 336 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|1,0,1]=4 337 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|1,0,1]=4 338 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|1,0,0]=3 339 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|1,0,0]=3 340 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|1,0,0]=3 341 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|1,0,0]=3 344 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|2,0,0]=4 345 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|2,0,0]=4 346 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [1,1,0,0,0,0|1,0,1]=4 349 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [1,1,0,0,0,0|1,0,1]=4 350 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,1,0,0,0,0|0,0,2]=4 351 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,1,0,0,0,0|0,0,2]=4 352 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|0,0,2]=4 355 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|0,0,2]=4 356 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|1,0,0]=3 359 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|1,0,0]=3 360 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,1,0,0,0,0|1,0,1]=4 362 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|0,0,0]=2 363 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|0,0,0]=2 364 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,1,0,0,0,0|1,0,0]=3 367 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,1,0,0,0,0|1,0,0]=3 368 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,1,0,0,0,0|1,0,0]=3 369 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,1,0,0,0,0|1,0,0]=3 370 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,1]=4 371 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,1]=4 372 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [1,1,0,0,0,0|1,0,1]=4 373 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|1,0,0]=3 376 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|1,0,0]=3 377 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|1,0,0]=3 378 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [1,1,0,0,0,0|2,0,0]=4 379 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [1,1,0,0,0,0|2,0,0]=4 380 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|1,0,0]=3 381 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|1,0,0]=3 382 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|1,0,0]=3 383 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|1,0,0]=3 384 B7R0.6 CC(C)OCC(=O)N WXVL_AK0084SB0213 [1,1,0,0,0,0|2,0,0]=4 385 B7R0.6 CC(C)OCC(=O)N WXVL_AK0084SB0213 [1,1,0,0,0,0|2,0,0]=4 386 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [1,1,0,0,0,0|2,0,0]=4 388 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [1,1,0,0,0,0|1,0,1]=4 389 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [1,1,0,0,0,0|1,0,1]=4 390 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|2,0,0]=4 391 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [0,2,0,0,0,0|2,0,0]=4 393 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [0,2,0,0,0,0|2,0,0]=4 394 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|2,0,0]=4 396 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [0,2,0,0,0,0|2,0,0]=4 397 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [0,2,0,0,0,0|2,0,0]=4 398 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [0,2,0,0,0,0|2,0,0]=4 399 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [0,2,0,0,0,0|2,0,0]=4 400 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [0,2,0,0,0,0|2,0,0]=4 401 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [0,2,0,0,0,0|2,0,0]=4 402 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,2,0,0,0,0|2,0,0]=4 403 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,2,0,0,0,0|2,0,0]=4 404 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|2,0,0]=4 405 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|2,0,0]=4 406 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,2,0,0,0,0|1,0,1]=4 407 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,2,0,0,0,0|1,0,1]=4 408 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,2,0,0,0,0|1,0,1]=4 409 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,2,0,0,0,0|1,0,1]=4 410 B9R0.5 C#CCCNC(=O)COC WXVL_AK3109SB0090 [0,2,0,0,0,0|0,0,2]=4 411 B9R0.5 C#CCCNC(=O)COC WXVL_AK3109SB0090 [0,2,0,0,0,0|0,0,2]=4 412 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|1,0,0]=3 413 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|1,0,0]=3 414 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,2,0,0,0,0|2,0,0]=4 415 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,2,0,0,0,0|2,0,0]=4 416 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|2,0,0]=4 417 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|2,0,0]=4 418 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|1,0,1]=4 419 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|1,0,1]=4 420 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|1,0,1]=4 421 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|1,0,1]=4 422 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|0,0,2]=4 423 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|0,0,2]=4 424 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|1,0,0]=3 425 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|1,0,0]=3 426 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,2,0,0,0,0|2,0,0]=4 427 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,2,0,0,0,0|2,0,0]=4 428 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|2,0,0]=4 429 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|2,0,0]=4 430 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|1,0,1]=4 431 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|1,0,1]=4 432 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|2,0,0]=4 433 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|2,0,0]=4 434 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|2,0,0]=4 435 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|2,0,0]=4 436 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,2,0,0,0,0|1,0,1]=4 437 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,2,0,0,0,0|1,0,1]=4 438 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,0]=3 440 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|0,0,0]=2 441 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|0,0,0]=2 442 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|0,1,0]=3 443 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|0,1,0]=3 444 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|1,0,0]=3 445 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|1,0,0]=3 446 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|1,0,0]=3 447 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|1,0,0]=3 448 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,2,0,0,0,0|2,0,0]=4 449 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,2,0,0,0,0|2,0,0]=4 450 B9R0.5 COCC(=O)NCCC#N WXVL_AK0087SB0090 [0,2,0,0,0,0|1,0,1]=4 451 B9R0.5 COCC(=O)NCCC#N WXVL_AK0087SB0090 [0,2,0,0,0,0|1,0,1]=4 452 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|1,0,0]=3 453 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|1,0,0]=3 454 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|1,0,0]=3 455 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|1,0,0]=3 456 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|1,1,0]=4 457 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|1,1,0]=4 458 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|1,1,0]=4 459 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|1,1,0]=4 460 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,2,0,0,0,0|2,0,0]=4 461 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,2,0,0,0,0|2,0,0]=4 462 B9R0.8 CCC(=O)N(C)CCOC WXVL_AN0085SB0064 [0,2,0,0,0,0|2,0,0]=4 463 B9R0.8 CCC(=O)N(C)CCOC WXVL_AN0085SB0064 [0,2,0,0,0,0|2,0,0]=4 464 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|1,0,0]=3 465 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|1,0,0]=3 466 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|1,0,1]=4 467 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|1,0,1]=4 468 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [0,2,0,0,0,0|2,0,0]=4 469 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [0,2,0,0,0,0|2,0,0]=4 470 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,2,0,0,0,0|1,0,0]=3 471 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,2,0,0,0,0|1,0,0]=3 472 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [0,2,0,0,0,0|2,0,0]=4 473 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [0,2,0,0,0,0|2,0,0]=4 474 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [0,2,0,0,0,0|2,0,0]=4 475 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [0,2,0,0,0,0|2,0,0]=4 476 B9R0.8 CO[C@H](C)C(=O)NCCF WXVL_AK00466SB2926 [0,2,0,0,0,0|2,0,0]=4 477 B9R0.8 CO[C@H](C)C(=O)NCCF WXVL_AK00466SB2926 [0,2,0,0,0,0|2,0,0]=4 478 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [0,2,0,0,0,0|2,0,0]=4 479 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [0,2,0,0,0,0|2,0,0]=4 480 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|2,0,0]=4 481 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|2,0,0]=4 482 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|2,0,0]=4 483 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|2,0,0]=4 485 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|2,0,0]=4 486 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,2,0,0,0,0|2,0,0]=4 487 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,2,0,0,0,0|2,0,0]=4 488 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [0,2,0,0,0,0|2,0,0]=4 489 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [0,2,0,0,0,0|2,0,0]=4 490 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,2,0,0,0,0|2,0,0]=4 491 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,2,0,0,0,0|2,0,0]=4 492 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,0,0]=3 493 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,0,0]=3 494 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|1,1,0]=4 495 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|1,1,0]=4 496 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,2,0,0,0,0|1,0,0]=3 497 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,2,0,0,0,0|1,0,0]=3 498 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [0,2,0,0,0,0|1,1,0]=4 499 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [0,2,0,0,0,0|1,1,0]=4 500 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [0,2,0,0,0,0|2,0,0]=4 501 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [0,2,0,0,0,0|2,0,0]=4 502 B9R0.18 CCOCC(=O)NCC#N WXVL_AK0683SB0091 [0,2,0,0,0,0|2,0,0]=4 503 B9R0.18 CCOCC(=O)NCC#N WXVL_AK0683SB0091 [0,2,0,0,0,0|2,0,0]=4 504 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [0,2,0,0,0,0|2,0,0]=4 505 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [0,2,0,0,0,0|2,0,0]=4 506 B9R0.18 CCSCC(=O)NCC#N WXVL_AK0683SB0002 [0,2,0,0,0,0|2,0,0]=4 507 B9R0.18 CCSCC(=O)NCC#N WXVL_AK0683SB0002 [0,2,0,0,0,0|2,0,0]=4 508 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [0,2,0,0,0,0|2,0,0]=4 509 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [0,2,0,0,0,0|2,0,0]=4 510 B9R0.18 COCCC(=O)NCC#N WXVL_AK0683SB0156 [0,2,0,0,0,0|2,0,0]=4 511 B9R0.18 COCCC(=O)NCC#N WXVL_AK0683SB0156 [0,2,0,0,0,0|2,0,0]=4 512 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,2,0,0,0,0|2,0,0]=4 513 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,2,0,0,0,0|2,0,0]=4 514 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,2,0,0,0,0|2,0,0]=4 515 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,2,0,0,0,0|2,0,0]=4 516 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|2,0,0]=4 517 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|2,0,0]=4 518 B9R0.34 C#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB0338 [0,2,0,0,0,0|1,0,1]=4 519 B9R0.34 C#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB0338 [0,2,0,0,0,0|1,0,1]=4 520 B9R0.34 C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0340 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.34 C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0340 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.34 CC#CC(=O)N[C@@H](C)CC WXVL_AK00678SB1240 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.34 CC#CC(=O)N[C@@H](C)CC WXVL_AK00678SB1240 [0,2,0,0,0,0|2,0,0]=4 524 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [0,2,0,0,0,0|2,0,0]=4 525 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [0,2,0,0,0,0|2,0,0]=4 526 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [0,2,0,0,0,0|2,0,0]=4 527 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [0,2,0,0,0,0|2,0,0]=4 528 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [0,2,0,0,0,0|2,0,0]=4 529 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [0,2,0,0,0,0|2,0,0]=4 530 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [0,2,0,0,0,0|2,0,0]=4 531 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [0,2,0,0,0,0|2,0,0]=4 532 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|1,0,0]=3 533 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|1,0,0]=3 534 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|2,0,0]=4 535 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|2,0,0]=4 536 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|0,0,1]=3 537 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|0,0,1]=3 538 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,2,0,0,0,0|1,0,0]=3 539 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,2,0,0,0,0|1,0,0]=3 540 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,2,0,0,0,0|1,0,0]=3 541 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,2,0,0,0,0|1,0,0]=3 542 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,2,0,0,0,0|1,0,0]=3 543 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,2,0,0,0,0|1,0,0]=3 544 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|1,0,1]=4 545 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|1,0,1]=4 546 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [0,2,0,0,0,0|1,0,0]=3 547 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [0,2,0,0,0,0|1,0,0]=3 548 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [0,2,0,0,0,0|1,1,0]=4 549 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [0,2,0,0,0,0|1,1,0]=4 550 B9R0.34 COCC(=O)N[C@@H](C)CF WXVL_AK00558SB0090 [0,2,0,0,0,0|2,0,0]=4 551 B9R0.34 COCC(=O)N[C@@H](C)CF WXVL_AK00558SB0090 [0,2,0,0,0,0|2,0,0]=4 552 B9R0.34 COCC(=O)N[C@@H](C)CO WXVL_AK0109SB0090 [0,2,0,0,0,0|2,0,0]=4 553 B9R0.34 COCC(=O)N[C@@H](C)CO WXVL_AK0109SB0090 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,2,0,0,0,0|1,0,0]=3 555 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,2,0,0,0,0|1,0,0]=3 556 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,2,0,0,0,0|1,0,0]=3 557 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,2,0,0,0,0|1,0,0]=3 558 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,2,0,0,0,0|1,0,1]=4 559 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,2,0,0,0,0|1,0,1]=4 560 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,2,0,0,0,0|2,0,0]=4 561 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,2,0,0,0,0|2,0,0]=4 562 B9R0.48 C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0340 [0,2,0,0,0,0|2,0,0]=4 563 B9R0.48 C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0340 [0,2,0,0,0,0|2,0,0]=4 564 B9R0.48 C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0340 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.48 C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0340 [0,2,0,0,0,0|2,0,0]=4 566 B9R0.48 C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0340 [0,2,0,0,0,0|2,0,0]=4 567 B9R0.48 C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0340 [0,2,0,0,0,0|2,0,0]=4 568 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|1,0,1]=4 569 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|1,0,1]=4 570 B9R0.48 CC#CC(=O)NCC(C)C WXVL_AK00544SB1240 [0,2,0,0,0,0|2,0,0]=4 571 B9R0.48 CC#CC(=O)NCC(C)C WXVL_AK00544SB1240 [0,2,0,0,0,0|2,0,0]=4 572 B9R0.48 CC#CC(=O)NCC(C)O WXVL_AK0052SB1240 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.48 CC#CC(=O)NCC(C)O WXVL_AK0052SB1240 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.48 CC#CC(=O)NC[C@H](C)O WXVL_AK0113SB1240 [0,2,0,0,0,0|2,0,0]=4 575 B9R0.48 CC#CC(=O)NC[C@H](C)O WXVL_AK0113SB1240 [0,2,0,0,0,0|2,0,0]=4 576 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [0,2,0,0,0,0|2,0,0]=4 577 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [0,2,0,0,0,0|2,0,0]=4 578 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|2,0,0]=4 579 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|2,0,0]=4 580 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|2,0,0]=4 581 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,1]=4 583 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,1]=4 584 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,2,0,0,0,0|1,0,0]=3 585 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,2,0,0,0,0|1,0,0]=3 586 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,2,0,0,0,0|2,0,0]=4 587 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,2,0,0,0,0|2,0,0]=4 588 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [0,2,0,0,0,0|2,0,0]=4 589 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [0,2,0,0,0,0|2,0,0]=4 590 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [0,2,0,0,0,0|1,0,0]=3 591 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [0,2,0,0,0,0|1,0,0]=3 592 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [0,2,0,0,0,0|1,0,0]=3 593 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [0,2,0,0,0,0|1,0,0]=3 594 B9R0.48 COCC(=O)NCC(F)F WXVL_AK0136SB0090 [0,2,0,0,0,0|2,0,0]=4 595 B9R0.48 COCC(=O)NCC(F)F WXVL_AK0136SB0090 [0,2,0,0,0,0|2,0,0]=4 596 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [0,2,0,0,0,0|1,0,0]=3 597 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [0,2,0,0,0,0|1,0,0]=3 598 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [0,2,0,0,0,0|1,1,0]=4 599 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [0,2,0,0,0,0|1,1,0]=4 600 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [0,2,0,0,0,0|1,1,0]=4 601 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [0,2,0,0,0,0|1,1,0]=4 602 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [0,2,0,0,0,0|1,1,0]=4 603 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [0,2,0,0,0,0|1,1,0]=4 604 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [0,2,0,0,0,0|2,0,0]=4 605 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [0,2,0,0,0,0|2,0,0]=4 606 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [0,2,0,0,0,0|1,0,0]=3 607 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [0,2,0,0,0,0|1,0,0]=3 608 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [0,2,0,0,0,0|1,0,0]=3 609 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [0,2,0,0,0,0|1,0,0]=3 610 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [0,2,0,0,0,0|1,0,0]=3 611 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [0,2,0,0,0,0|1,0,0]=3 612 B9R0.27 CNC(=O)C(C)C(=O)OC WXVL_AK00442SB5708 [0,2,0,0,0,0|1,0,1]=4 613 B9R0.27 CNC(=O)C(C)C(=O)OC WXVL_AK00442SB5708 [0,2,0,0,0,0|1,0,1]=4 614 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [0,2,0,0,0,0|1,0,0]=3 615 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [0,2,0,0,0,0|1,0,0]=3 616 B9R0.60 CNC(=O)C(C)(C)CSC WXVL_AK00442SBF473 [0,2,0,0,0,0|2,0,0]=4 617 B9R0.60 CNC(=O)C(C)(C)CSC WXVL_AK00442SBF473 [0,2,0,0,0,0|2,0,0]=4 618 B9R0.1 C#CC(=O)NCCC(C)C WXVL_AK0068SB0338 [0,2,0,0,0,0|1,0,1]=4 619 B9R0.1 C#CC(=O)NCCC(C)C WXVL_AK0068SB0338 [0,2,0,0,0,0|1,0,1]=4 620 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|2,0,0]=4 621 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|2,0,0]=4 622 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|1,0,0]=3 623 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|1,0,0]=3 624 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [0,2,0,0,0,0|2,0,0]=4 625 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [0,2,0,0,0,0|2,0,0]=4 626 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|1,0,1]=4 627 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|1,0,1]=4 628 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|1,0,0]=3 629 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|1,0,0]=3 630 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [0,2,0,0,0,0|1,0,0]=3 631 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [0,2,0,0,0,0|1,0,0]=3 632 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [0,2,0,0,0,0|1,0,1]=4 633 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [0,2,0,0,0,0|1,0,1]=4 634 B9R0.20 CCCCNS(=O)(=O)CC WXVL_AK00588HU0028 [0,2,0,0,0,0|2,0,0]=4 635 B9R0.20 CCCCNS(=O)(=O)CC WXVL_AK00588HU0028 [0,2,0,0,0,0|2,0,0]=4 636 B9R0.20 CCOCCS(=O)(=O)NC WXVL_AK00442HU0315 [0,2,0,0,0,0|2,0,0]=4 637 B9R0.20 CCOCCS(=O)(=O)NC WXVL_AK00442HU0315 [0,2,0,0,0,0|2,0,0]=4 638 B9R0.20 CNS(=O)(=O)CCCCCl WXVL_AK00442HU0456 [0,2,0,0,0,0|2,0,0]=4 639 B9R0.20 CNS(=O)(=O)CCCCCl WXVL_AK00442HU0456 [0,2,0,0,0,0|2,0,0]=4 640 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 641 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 642 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [0,2,0,0,0,0|2,0,0]=4 643 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [0,2,0,0,0,0|2,0,0]=4 644 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [0,2,0,0,0,0|2,0,0]=4 645 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [0,2,0,0,0,0|2,0,0]=4 646 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [0,2,0,0,0,0|2,0,0]=4 647 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [0,2,0,0,0,0|2,0,0]=4 648 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [0,2,0,0,0,0|0,0,1]=3 649 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [0,2,0,0,0,0|0,0,1]=3 650 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [0,2,0,0,0,0|1,0,1]=4 652 B9R0.46 C#CC(=O)NCCCCO WXVL_AK0075SB0338 [0,2,0,0,0,0|1,0,1]=4 653 B9R0.46 C#CC(=O)NCCCCO WXVL_AK0075SB0338 [0,2,0,0,0,0|1,0,1]=4 654 B9R0.46 C#CC(=O)NCCCOC WXVL_AK00637SB0338 [0,2,0,0,0,0|1,0,1]=4 655 B9R0.46 C#CC(=O)NCCCOC WXVL_AK00637SB0338 [0,2,0,0,0,0|1,0,1]=4 656 B9R0.46 C#CC(=O)NCCCSC WXVL_AK0965SB0338 [0,2,0,0,0,0|1,0,1]=4 657 B9R0.46 C#CC(=O)NCCCSC WXVL_AK0965SB0338 [0,2,0,0,0,0|1,0,1]=4 658 B9R0.46 C#CC(=O)NCCSCC WXVL_AK00494SB0338 [0,2,0,0,0,0|1,0,1]=4 659 B9R0.46 C#CC(=O)NCCSCC WXVL_AK00494SB0338 [0,2,0,0,0,0|1,0,1]=4 660 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [0,2,0,0,0,0|1,0,1]=4 661 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.46 C#CCOCCC(=O)NC WXVL_AK00442SBD927 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.46 C#CCOCCC(=O)NC WXVL_AK00442SBD927 [0,2,0,0,0,0|1,0,1]=4 664 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|1,0,0]=3 665 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|1,0,0]=3 666 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,0,0]=3 667 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,0,0]=3 668 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|1,0,0]=3 669 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|1,0,0]=3 670 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|1,0,0]=3 671 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|1,0,0]=3 672 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|2,0,0]=4 673 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|2,0,0]=4 674 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|1,0,0]=3 675 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|1,0,0]=3 676 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|2,0,0]=4 677 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|2,0,0]=4 678 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|1,0,0]=3 679 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|1,0,0]=3 680 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|1,0,0]=3 681 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|1,0,0]=3 682 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,0]=3 683 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,0]=3 684 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|2,0,0]=4 685 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|2,0,0]=4 686 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|2,0,0]=4 687 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|2,0,0]=4 688 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|2,0,0]=4 689 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|2,0,0]=4 690 B9R0.47 C#CCCCC(=O)N(C)C WXVL_AN0032SB2709 [0,2,0,0,0,0|1,0,1]=4 691 B9R0.47 C#CCCCC(=O)N(C)C WXVL_AN0032SB2709 [0,2,0,0,0,0|1,0,1]=4 692 B9R0.47 C=C(F)C(=O)NCCCC WXVL_AK00588SB1376 [0,2,0,0,0,0|1,0,1]=4 693 B9R0.47 C=C(F)C(=O)NCCCC WXVL_AK00588SB1376 [0,2,0,0,0,0|1,0,1]=4 694 B9R0.47 C=CCCCC(=O)N(C)C WXVL_AN0032SB2920 [0,2,0,0,0,0|1,0,1]=4 695 B9R0.47 C=CCCCC(=O)N(C)C WXVL_AN0032SB2920 [0,2,0,0,0,0|1,0,1]=4 696 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|2,0,0]=4 697 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|2,0,0]=4 698 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [0,2,0,0,0,0|2,0,0]=4 699 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [0,2,0,0,0,0|2,0,0]=4 700 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [0,2,0,0,0,0|2,0,0]=4 701 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [0,2,0,0,0,0|2,0,0]=4 702 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,2,0,0,0,0|1,0,1]=4 703 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,2,0,0,0,0|1,0,1]=4 704 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|1,0,0]=3 705 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|1,0,0]=3 706 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,2,0,0,0,0|2,0,0]=4 707 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,2,0,0,0,0|2,0,0]=4 708 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|1,0,0]=3 709 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|1,0,0]=3 710 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|1,0,0]=3 711 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|1,0,0]=3 712 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [0,2,0,0,0,0|2,0,0]=4 713 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [0,2,0,0,0,0|2,0,0]=4 714 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,0]=3 715 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,0]=3 716 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [0,2,0,0,0,0|1,0,0]=3 717 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [0,2,0,0,0,0|1,0,0]=3 718 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [0,2,0,0,0,0|1,0,0]=3 719 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [0,2,0,0,0,0|1,0,0]=3 720 B9R0.47 CN(C)C(=O)NCCCCl WXVL_AN0032YV0130 [0,2,0,0,0,0|2,0,0]=4 721 B9R0.47 CN(C)C(=O)NCCCCl WXVL_AN0032YV0130 [0,2,0,0,0,0|2,0,0]=4 722 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|2,0,0]=4 724 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [0,2,0,0,0,0|2,0,0]=4 725 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [0,2,0,0,0,0|2,0,0]=4 726 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [0,2,0,0,0,0|2,0,0]=4 727 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [0,2,0,0,0,0|2,0,0]=4 728 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [0,2,0,0,0,0|2,0,0]=4 731 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [0,2,0,0,0,0|2,0,0]=4 732 B9R0.3 CCCNC(=O)C(C)(C)Br WXVL_AK00504SB0432 [0,2,0,0,0,0|2,0,0]=4 733 B9R0.3 CCCNC(=O)C(C)(C)Br WXVL_AK00504SB0432 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.3 CCCNC(=O)C(C)(C)C WXVL_AK00504SB0078 [0,2,0,0,0,0|2,0,0]=4 735 B9R0.3 CCCNC(=O)C(C)(C)C WXVL_AK00504SB0078 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.3 CCCNC(=O)C(C)(C)F WXVL_AK00504SB0199 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.3 CCCNC(=O)C(C)(C)F WXVL_AK00504SB0199 [0,2,0,0,0,0|2,0,0]=4 738 B9R0.3 CCCNC(=O)C(C)(C)O WXVL_AK00504SB0125 [0,2,0,0,0,0|2,0,0]=4 739 B9R0.3 CCCNC(=O)C(C)(C)O WXVL_AK00504SB0125 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.3 CCCNC(=O)C(C)(F)F WXVL_AK00504SB0197 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.3 CCCNC(=O)C(C)(F)F WXVL_AK00504SB0197 [0,2,0,0,0,0|2,0,0]=4 742 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|2,0,0]=4 743 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|2,0,0]=4 744 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|2,0,0]=4 746 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|2,0,0]=4 748 B9R0.7 CC(=O)CCC(=O)N(C)C WXVL_AN0032SB0072 [0,2,0,0,0,0|1,0,1]=4 749 B9R0.7 CC(=O)CCC(=O)N(C)C WXVL_AN0032SB0072 [0,2,0,0,0,0|1,0,1]=4 750 B9R0.7 CC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0052 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.7 CC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0052 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.7 CC(C)CCC(=O)N(C)C WXVL_AN0032SB0354 [0,2,0,0,0,0|1,0,0]=3 753 B9R0.7 CC(C)CCC(=O)N(C)C WXVL_AN0032SB0354 [0,2,0,0,0,0|1,0,0]=3 754 B9R0.7 CC(C)CNC(=O)C(C)C WXVL_AK00544SB0052 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.7 CC(C)CNC(=O)C(C)C WXVL_AK00544SB0052 [0,2,0,0,0,0|2,0,0]=4 756 B9R0.7 CC(C)CNC(=O)C(C)S WXVL_AK00544SB2708 [0,2,0,0,0,0|2,0,0]=4 757 B9R0.7 CC(C)CNC(=O)C(C)S WXVL_AK00544SB2708 [0,2,0,0,0,0|2,0,0]=4 758 B9R0.7 CC(C)CNC(=O)[C@@H](C)O WXVL_AK00544SB1085 [0,2,0,0,0,0|2,0,0]=4 759 B9R0.7 CC(C)CNC(=O)[C@@H](C)O WXVL_AK00544SB1085 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.7 CC(C)OCC(=O)N(C)C WXVL_AN0032SB0213 [0,2,0,0,0,0|2,0,0]=4 761 B9R0.7 CC(C)OCC(=O)N(C)C WXVL_AN0032SB0213 [0,2,0,0,0,0|2,0,0]=4 762 B9R0.7 CC(O)CNC(=O)C(C)C WXVL_AK0052SB0052 [0,2,0,0,0,0|2,0,0]=4 763 B9R0.7 CC(O)CNC(=O)C(C)C WXVL_AK0052SB0052 [0,2,0,0,0,0|2,0,0]=4 764 B9R0.7 CC(O)CNC(=O)C(C)S WXVL_AK0052SB2708 [0,2,0,0,0,0|2,0,0]=4 765 B9R0.7 CC(O)CNC(=O)C(C)S WXVL_AK0052SB2708 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.7 CC(O)CNC(=O)[C@@H](C)O WXVL_AK0052SB1085 [0,2,0,0,0,0|2,0,0]=4 767 B9R0.7 CC(O)CNC(=O)[C@@H](C)O WXVL_AK0052SB1085 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.7 CC(S)C(=O)NC[C@H](C)O WXVL_AK0113SB2708 [0,2,0,0,0,0|2,0,0]=4 769 B9R0.7 CC(S)C(=O)NC[C@H](C)O WXVL_AK0113SB2708 [0,2,0,0,0,0|2,0,0]=4 770 B9R0.7 CN(C)CCC(=O)N(C)C WXVL_AN0032SB00052 [0,2,0,0,0,0|2,0,0]=4 771 B9R0.7 CN(C)CCC(=O)N(C)C WXVL_AN0032SB00052 [0,2,0,0,0,0|2,0,0]=4 772 B9R0.7 C[C@H](O)CNC(=O)[C@@H](C)O WXVL_AK0113SB1085 [0,2,0,0,0,0|2,0,0]=4 773 B9R0.7 C[C@H](O)CNC(=O)[C@@H](C)O WXVL_AK0113SB1085 [0,2,0,0,0,0|2,0,0]=4 774 B9R0.42 CCC(C)CC(=O)N(C)C WXVL_AN0032SB0353 [0,2,0,0,0,0|1,0,0]=3 775 B9R0.42 CCC(C)CC(=O)N(C)C WXVL_AN0032SB0353 [0,2,0,0,0,0|1,0,0]=3 776 B9R0.42 CCC(O)CC(=O)N(C)C WXVL_AN0032SB4092 [0,2,0,0,0,0|1,0,0]=3 777 B9R0.42 CCC(O)CC(=O)N(C)C WXVL_AN0032SB4092 [0,2,0,0,0,0|1,0,0]=3 778 B9R0.42 CC[C@@H](C)CC(=O)N(C)C WXVL_AN0032SB8650 [0,2,0,0,0,0|1,0,0]=3 779 B9R0.42 CC[C@@H](C)CC(=O)N(C)C WXVL_AN0032SB8650 [0,2,0,0,0,0|1,0,0]=3 780 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|2,0,0]=4 782 B9R0.42 CC[C@H](C)NC(=O)C(C)C WXVL_AK00678SB0052 [0,2,0,0,0,0|2,0,0]=4 783 B9R0.42 CC[C@H](C)NC(=O)C(C)C WXVL_AK00678SB0052 [0,2,0,0,0,0|2,0,0]=4 784 B9R0.42 CC[C@H](C)NC(=O)C(C)S WXVL_AK00678SB2708 [0,2,0,0,0,0|2,0,0]=4 785 B9R0.42 CC[C@H](C)NC(=O)C(C)S WXVL_AK00678SB2708 [0,2,0,0,0,0|2,0,0]=4 786 B9R0.42 CC[C@H](C)NC(=O)[C@@H](C)O WXVL_AK00678SB1085 [0,2,0,0,0,0|2,0,0]=4 787 B9R0.42 CC[C@H](C)NC(=O)[C@@H](C)O WXVL_AK00678SB1085 [0,2,0,0,0,0|2,0,0]=4 788 B9R0.42 CNC(=O)CN(C)C(C)C WXVL_AK00442SB0019 [0,2,0,0,0,0|2,0,0]=4 789 B9R0.42 CNC(=O)CN(C)C(C)C WXVL_AK00442SB0019 [0,2,0,0,0,0|2,0,0]=4 790 B9R0.42 COC(=O)CC(=O)N(C)C WXVL_AN0032SB2790 [0,2,0,0,0,0|1,0,1]=4 791 B9R0.42 COC(=O)CC(=O)N(C)C WXVL_AN0032SB2790 [0,2,0,0,0,0|1,0,1]=4 792 B9R0.51 CCCCS(=O)(=O)N(C)C WXVL_AN0032HU0031 [0,2,0,0,0,0|2,0,0]=4 793 B9R0.51 CCCCS(=O)(=O)N(C)C WXVL_AN0032HU0031 [0,2,0,0,0,0|2,0,0]=4 794 B9R0.21 CCC(=O)NCC(C)(C)C WXVL_AK00655SB0064 [0,2,0,0,0,0|2,0,0]=4 795 B9R0.21 CCC(=O)NCC(C)(C)C WXVL_AK00655SB0064 [0,2,0,0,0,0|2,0,0]=4 796 B9R0.21 CCC(=O)NCC(C)(C)F WXVL_AK00660SB0064 [0,2,0,0,0,0|2,0,0]=4 797 B9R0.21 CCC(=O)NCC(C)(C)F WXVL_AK00660SB0064 [0,2,0,0,0,0|2,0,0]=4 798 B9R0.21 CCC(=O)NCC(C)(C)O WXVL_AK0490SB0064 [0,2,0,0,0,0|2,0,0]=4 799 B9R0.21 CCC(=O)NCC(C)(C)O WXVL_AK0490SB0064 [0,2,0,0,0,0|2,0,0]=4 800 B9R0.21 CCC(=O)NCC(C)(F)F WXVL_AK0308SB0064 [0,2,0,0,0,0|2,0,0]=4 801 B9R0.21 CCC(=O)NCC(C)(F)F WXVL_AK0308SB0064 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.21 CNC(=O)CCC(F)(F)F WXVL_AK00442SB0174 [0,2,0,0,0,0|2,0,0]=4 803 B9R0.21 CNC(=O)CCC(F)(F)F WXVL_AK00442SB0174 [0,2,0,0,0,0|2,0,0]=4 804 B9R0.21 CNC(=O)CCS(=O)(=O)C WXVL_AK00442SB0009 [0,2,0,0,0,0|2,0,0]=4 805 B9R0.21 CNC(=O)CCS(=O)(=O)C WXVL_AK00442SB0009 [0,2,0,0,0,0|2,0,0]=4 806 B9R0.21 CNC(=O)COC(C)(C)C WXVL_AK00442SB1440 [0,2,0,0,0,0|2,0,0]=4 807 B9R0.21 CNC(=O)COC(C)(C)C WXVL_AK00442SB1440 [0,2,0,0,0,0|2,0,0]=4 808 B9R0.21 COC(=O)CCS(=O)(=O)N WXVL_AK0084HU0340 [0,2,0,0,0,0|2,0,0]=4 809 B9R0.21 COC(=O)CCS(=O)(=O)N WXVL_AK0084HU0340 [0,2,0,0,0,0|2,0,0]=4 810 B9R0.26 CCC(=O)N[C@H](CC)CO WXVL_AK0111SB0064 [0,2,0,0,0,0|2,0,0]=4 811 B9R0.26 CCC(=O)N[C@H](CC)CO WXVL_AK0111SB0064 [0,2,0,0,0,0|2,0,0]=4 812 B9R0.22 CCS(=O)(=O)CC(=O)NC WXVL_AK00442SBD438 [0,2,0,0,0,0|2,0,0]=4 813 B9R0.22 CCS(=O)(=O)CC(=O)NC WXVL_AK00442SBD438 [0,2,0,0,0,0|2,0,0]=4 814 B9R0.22 CNS(=O)(=O)CC(=O)OC WXVL_AK00442HU0075 [0,2,0,0,0,0|2,0,0]=4 815 B9R0.22 CNS(=O)(=O)CC(=O)OC WXVL_AK00442HU0075 [0,2,0,0,0,0|2,0,0]=4 816 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|1,0,0]=3 817 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|1,0,0]=3 818 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|1,0,0]=3 819 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|1,0,0]=3 820 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [1,0,0,1,0,0|2,0,0]=4 821 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [1,0,0,1,0,0|2,0,0]=4 822 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [1,0,0,1,0,0|2,0,0]=4 823 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [1,0,0,1,0,0|2,0,0]=4 824 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|1,0,0]=3 825 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|1,0,0]=3 826 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|1,0,0]=3 827 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|1,0,0]=3 828 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|1,0,0]=3 829 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|1,0,0]=3 830 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.75 C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0340 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.75 C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0340 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.75 CC#CC(=O)NC1CC1 WXVL_AK0001SB1240 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.75 CC#CC(=O)NC1CC1 WXVL_AK0001SB1240 [0,1,0,1,0,0|2,0,0]=4 836 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [0,1,0,1,0,0|2,0,0]=4 837 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [0,1,0,1,0,0|2,0,0]=4 838 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,1,0,1,0,0|1,0,0]=3 839 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [0,1,0,1,0,0|1,0,0]=3 841 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [0,1,0,1,0,0|1,0,0]=3 842 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [0,1,0,1,0,0|1,1,0]=4 843 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [0,1,0,1,0,0|1,1,0]=4 844 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [0,1,0,1,0,0|2,0,0]=4 846 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,1,0,1,0,0|1,0,0]=3 847 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,1,0,1,0,0|1,0,0]=3 848 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [0,1,0,1,0,0|2,0,0]=4 849 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.11 C#CC(=O)N1CCCC1 WXVL_AN0008SB0338 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.11 C#CC(=O)N1CCCC1 WXVL_AN0008SB0338 [0,1,0,1,0,0|1,0,1]=4 854 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|1,0,0]=3 855 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|1,0,0]=3 856 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|1,0,0]=3 857 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|1,0,0]=3 858 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,0]=3 859 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,0]=3 860 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|1,0,0]=3 862 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,0]=3 864 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|2,0,0]=4 865 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.82 C=C1CC(C1)C(=O)NC WXVL_AK00442SB0804 [0,1,0,1,0,0|1,0,1]=4 867 B9R1.82 C=C1CC(C1)C(=O)NC WXVL_AK00442SB0804 [0,1,0,1,0,0|1,0,1]=4 868 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [0,1,0,1,0,0|2,0,0]=4 869 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [0,1,0,1,0,0|2,0,0]=4 870 B9R1.82 CCC(=O)N1CC(C1)O WXVL_AN0284SB0064 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.82 CCC(=O)N1CC(C1)O WXVL_AN0284SB0064 [0,1,0,1,0,0|2,0,0]=4 872 B9R1.82 CNC(=O)C1CN(C1)C WXVL_AK00442SB0021 [0,1,0,1,0,0|2,0,0]=4 873 B9R1.82 CNC(=O)C1CN(C1)C WXVL_AK00442SB0021 [0,1,0,1,0,0|2,0,0]=4 874 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00442SB3648 [0,1,0,1,0,0|1,0,0]=3 875 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00442SB3648 [0,1,0,1,0,0|1,0,0]=3 876 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00442SB0837 [0,1,0,1,0,0|1,0,0]=3 877 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00442SB0837 [0,1,0,1,0,0|1,0,0]=3 878 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [0,1,0,1,0,0|1,0,1]=4 881 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [0,1,0,1,0,0|1,0,1]=4 882 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [0,1,0,1,0,0|1,0,0]=3 883 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [0,1,0,1,0,0|1,0,0]=3 884 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [0,1,0,1,0,0|1,0,0]=3 885 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [0,1,0,1,0,0|1,0,0]=3 886 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [0,1,0,1,0,0|1,0,0]=3 887 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [0,1,0,1,0,0|1,0,0]=3 888 B9R1.186 CNC(=O)C1(COC1)C WXVL_AK00442SB0214 [0,1,0,1,0,0|2,0,0]=4 889 B9R1.186 CNC(=O)C1(COC1)C WXVL_AK00442SB0214 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [0,1,0,1,0,0|2,0,0]=4 892 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [0,1,0,1,0,0|2,0,0]=4 893 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [0,1,0,1,0,0|2,0,0]=4 894 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|1,0,0]=3 895 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|1,0,0]=3 896 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|1,0,1]=4 897 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|1,0,1]=4 898 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|1,0,0]=3 899 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|1,0,0]=3 900 B9R1.45 CC1CC1C(=O)N(C)C WXVL_AN0032SB0041 [0,1,0,1,0,0|1,0,0]=3 901 B9R1.45 CC1CC1C(=O)N(C)C WXVL_AN0032SB0041 [0,1,0,1,0,0|1,0,0]=3 902 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F WXVL_AN0032SB1245 [0,1,0,1,0,0|2,0,0]=4 903 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F WXVL_AN0032SB1245 [0,1,0,1,0,0|2,0,0]=4 904 B9R1.45 CN(C)C(=O)[C@H]1C[C@H]1F WXVL_AN0032SB00019 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.45 CN(C)C(=O)[C@H]1C[C@H]1F WXVL_AN0032SB00019 [0,1,0,1,0,0|2,0,0]=4 906 B9R1.110 CN(C)C(=O)C1CCC1 WXVL_AN0032SB0042 [0,1,0,1,0,0|1,0,0]=3 907 B9R1.110 CN(C)C(=O)C1CCC1 WXVL_AN0032SB0042 [0,1,0,1,0,0|1,0,0]=3 908 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|2,0,0]=4 909 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|2,0,0]=4 910 B9R1.112 CC(C)C(=O)NC1CC1 WXVL_AK0001SB0052 [0,1,0,1,0,0|2,0,0]=4 911 B9R1.112 CC(C)C(=O)NC1CC1 WXVL_AK0001SB0052 [0,1,0,1,0,0|2,0,0]=4 912 B9R1.112 CC(S)C(=O)NC1CC1 WXVL_AK0001SB2708 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.112 CC(S)C(=O)NC1CC1 WXVL_AK0001SB2708 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.112 CN(C)C(=O)CC1CC1 WXVL_AN0032SB0155 [0,1,0,1,0,0|1,0,0]=3 915 B9R1.112 CN(C)C(=O)CC1CC1 WXVL_AN0032SB0155 [0,1,0,1,0,0|1,0,0]=3 916 B9R1.112 C[C@@H](O)C(=O)NC1CC1 WXVL_AK0001SB1085 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.112 C[C@@H](O)C(=O)NC1CC1 WXVL_AK0001SB1085 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.185 CNC(=O)C1CC1(C)C WXVL_AK00442SB0012 [0,1,0,1,0,0|1,0,0]=3 919 B9R1.185 CNC(=O)C1CC1(C)C WXVL_AK00442SB0012 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.185 CNC(=O)C1CC1(F)F WXVL_AK00442SB0843 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.185 CNC(=O)C1CC1(F)F WXVL_AK00442SB0843 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.113 CCC(=O)NC1(CC1)C WXVL_AK0263SB0064 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.113 CCC(=O)NC1(CC1)C WXVL_AK0263SB0064 [0,1,0,1,0,0|2,0,0]=4 924 B9R1.64 CNS(=O)(=O)CC1CC1 WXVL_AK00442HU0351 [0,1,0,1,0,0|2,0,0]=4 925 B9R1.64 CNS(=O)(=O)CC1CC1 WXVL_AK00442HU0351 [0,1,0,1,0,0|2,0,0]=4