0 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,0,0,0,0,0|1,1,0]=2 21 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,0,0,0,0,0|1,1,0]=2 22 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,0,0,0,0,0|1,0,0]=1 23 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,0,0,0,0,0|3,0,0]=3 28 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,0,0,0,0,0|4,0,0]=4 29 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [1,0,0,0,0,0|1,1,0]=3 49 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [1,0,0,0,0,0|1,1,0]=3 50 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,0,0,0,0,0|1,0,2]=4 58 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,0,0,0,0,0|1,1,0]=3 65 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,0,0,0,0,0|1,1,0]=3 66 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,0,0,0,0,0|1,0,0]=2 68 B9R0.4 C#CCCC(=O)NC(C)C WXVL_AK0030SB2189 [0,1,0,0,0,0|2,0,1]=4 69 B9R0.4 C#CCCC(=O)NC(C)C WXVL_AK0030SB2189 [0,1,0,0,0,0|2,0,1]=4 70 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [0,1,0,0,0,0|3,0,0]=4 74 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,1,0,0,0,0|3,0,0]=4 75 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,1,0,0,0,0|3,0,0]=4 76 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [0,1,0,0,0,0|3,0,0]=4 77 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [0,1,0,0,0,0|3,0,0]=4 78 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [0,1,0,0,0,0|3,0,0]=4 79 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [0,1,0,0,0,0|3,0,0]=4 80 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,1,0,0,0,0|1,1,0]=3 81 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,1,0,0,0,0|1,1,0]=3 82 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,1,0,0,0,0|1,0,0]=2 83 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,1,0,0,0,0|1,0,0]=2 84 B9R0.5 C#CCC(=O)NCCSC WXVL_AK00440SB3070 [0,1,0,0,0,0|1,0,2]=4 85 B9R0.5 C#CCC(=O)NCCSC WXVL_AK00440SB3070 [0,1,0,0,0,0|1,0,2]=4 86 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,1,0,0,0,0|1,0,1]=3 93 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,1,0,0,0,0|1,0,1]=3 94 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,1,0,0,0,0|1,0,2]=4 95 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,1,0,0,0,0|1,0,2]=4 96 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,1,0,0,0,0|1,0,1]=3 103 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,1,0,0,0,0|1,0,1]=3 104 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,1,0,0,0,0|3,0,0]=4 107 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,1,0,0,0,0|3,0,0]=4 108 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,1,0,0,0,0|3,0,0]=4 109 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,1,0,0,0,0|3,0,0]=4 110 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,1,0,0,0,0|1,0,0]=2 111 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,1,0,0,0,0|1,0,0]=2 112 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,1,0,0,0,0|2,0,0]=3 114 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,1,0,0,0,0|3,0,0]=4 115 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,1,0,0,0,0|3,0,0]=4 116 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,1,0,0,0,0|3,0,0]=4 117 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,1,0,0,0,0|3,0,0]=4 118 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,1,0,0,0,0|2,0,0]=3 119 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,1,0,0,0,0|2,0,0]=3 120 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,1,0,0,0,0|2,0,0]=3 121 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,1,0,0,0,0|2,0,0]=3 122 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,1,0,0,0,0|3,0,0]=4 123 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,1,0,0,0,0|3,0,0]=4 124 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,1,0,0,0,0|2,0,0]=3 125 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,1,0,0,0,0|2,0,0]=3 126 B9R0.5 CSCCNC(=O)CC#N WXVL_AK00440SB0057 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.5 CSCCNC(=O)CC#N WXVL_AK00440SB0057 [0,1,0,0,0,0|2,0,1]=4 128 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,1,0,0,0,0|2,0,0]=3 129 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,1,0,0,0,0|2,0,0]=3 130 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,1,0,0,0,0|3,0,0]=4 131 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,1,0,0,0,0|3,0,0]=4 132 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [0,1,0,0,0,0|3,0,0]=4 133 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [0,1,0,0,0,0|3,0,0]=4 134 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [0,1,0,0,0,0|3,0,0]=4 135 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [0,1,0,0,0,0|3,0,0]=4 136 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [0,1,0,0,0,0|3,0,0]=4 137 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [0,1,0,0,0,0|3,0,0]=4 138 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [0,1,0,0,0,0|2,0,1]=4 140 B9R0.18 C#CCCC(=O)NCCF WXVL_AK00466SB2189 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.18 C#CCCC(=O)NCCF WXVL_AK00466SB2189 [0,1,0,0,0,0|2,0,1]=4 142 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,1,0,0,0,0|2,0,1]=4 143 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,1,0,0,0,0|1,1,1]=4 147 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,1,0,0,0,0|1,1,1]=4 148 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,1,0,0,0,0|1,0,1]=3 149 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,1,0,0,0,0|1,0,1]=3 150 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,1,0,0,0,0|2,0,1]=4 152 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,1,0,0,0,0|1,1,0]=3 153 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,1,0,0,0,0|1,1,0]=3 154 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,1,0,0,0,0|1,0,0]=2 155 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,1,0,0,0,0|1,0,0]=2 156 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,1,0,0,0,0|2,0,0]=3 157 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,1,0,0,0,0|2,0,0]=3 158 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [0,1,0,0,0,0|2,1,0]=4 159 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [0,1,0,0,0,0|2,1,0]=4 160 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [0,1,0,0,0,0|3,0,0]=4 161 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [0,1,0,0,0,0|3,0,0]=4 162 B9R0.18 CCOCC(=O)NCC#N WXVL_AK0683SB0091 [0,1,0,0,0,0|3,0,0]=4 163 B9R0.18 CCOCC(=O)NCC#N WXVL_AK0683SB0091 [0,1,0,0,0,0|3,0,0]=4 164 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [0,1,0,0,0,0|3,0,0]=4 165 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [0,1,0,0,0,0|3,0,0]=4 166 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [0,1,0,0,0,0|3,0,0]=4 167 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [0,1,0,0,0,0|3,0,0]=4 168 B9R0.18 COCCC(=O)NCC#N WXVL_AK0683SB0156 [0,1,0,0,0,0|1,1,1]=4 169 B9R0.18 COCCC(=O)NCC#N WXVL_AK0683SB0156 [0,1,0,0,0,0|1,1,1]=4 170 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,1,0,0,0,0|1,1,0]=3 171 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,1,0,0,0,0|1,1,0]=3 172 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,1,0,0,0,0|1,0,1]=3 173 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,1,0,0,0,0|1,0,1]=3 174 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,1,0,0,0,0|1,0,0]=2 175 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,1,0,0,0,0|1,0,0]=2 176 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [0,1,0,0,0,0|3,0,0]=4 177 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [0,1,0,0,0,0|3,0,0]=4 178 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,1,0,0,0,0|1,1,1]=4 179 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,1,0,0,0,0|1,1,1]=4 180 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,1,0,0,0,0|2,0,0]=3 181 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,1,0,0,0,0|2,0,0]=3 182 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,1,0,0,0,0|2,0,0]=3 183 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,1,0,0,0,0|2,0,0]=3 184 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,1,0,0,0,0|2,0,0]=3 185 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,1,0,0,0,0|2,0,0]=3 186 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,1,0,0,0,0|1,0,1]=3 187 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,1,0,0,0,0|1,0,1]=3 188 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,1,0,0,0,0|2,0,0]=3 189 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,1,0,0,0,0|2,0,0]=3 190 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,1,0,0,0,0|2,0,0]=3 191 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,1,0,0,0,0|2,0,0]=3 192 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,1,0,0,0,0|2,0,1]=4 193 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,1,0,0,0,0|2,0,1]=4 194 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,1,0,0,0,0|3,0,0]=4 195 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,1,0,0,0,0|3,0,0]=4 196 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [0,1,0,0,0,0|3,0,0]=4 197 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [0,1,0,0,0,0|3,0,0]=4 198 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,1,0,0,0,0|3,0,0]=4 199 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,1,0,0,0,0|3,0,0]=4 200 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,1,0,0,0,0|3,0,0]=4 201 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,1,0,0,0,0|3,0,0]=4 202 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,1,0,0,0,0|2,0,0]=3 203 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,1,0,0,0,0|2,0,0]=3 204 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,1,0,0,0,0|3,0,0]=4 205 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,1,0,0,0,0|3,0,0]=4 206 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,1,0,0,0,0|2,0,0]=3 207 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,1,0,0,0,0|2,0,0]=3 208 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,1,0,0,0,0|2,0,0]=3 209 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,1,0,0,0,0|2,0,0]=3 210 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,1,0,0,0,0|3,0,0]=4 211 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,1,0,0,0,0|3,0,0]=4 212 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,1,0,0,0,0|3,0,0]=4 213 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,1,0,0,0,0|3,0,0]=4 214 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [0,1,0,0,0,0|3,0,0]=4 215 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [0,1,0,0,0,0|3,0,0]=4 216 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,1,0,0,0,0|3,0,0]=4 217 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,1,0,0,0,0|3,0,0]=4 218 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [0,1,0,0,0,0|3,0,0]=4 219 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [0,1,0,0,0,0|3,0,0]=4 220 B9R0.66 CCNS(=O)(=O)CCOC WXVL_AK00476HU0155 [0,1,0,0,0,0|2,1,0]=4 221 B9R0.66 CCNS(=O)(=O)CCOC WXVL_AK00476HU0155 [0,1,0,0,0,0|2,1,0]=4 222 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,0,0,1,0,0|2,0,0]=3 223 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,0,0,1,0,0|2,0,0]=3 224 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [0,0,0,1,0,0|3,0,0]=4 225 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [0,0,0,1,0,0|3,0,0]=4 226 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,0,0,1,0,0|2,0,0]=3 227 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,0,0,1,0,0|2,0,0]=3 228 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [0,0,0,1,0,0|3,0,0]=4 229 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [0,0,0,1,0,0|3,0,0]=4 230 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,0,0,1,0,0|2,0,0]=3 231 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,0,0,1,0,0|2,0,0]=3 232 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [0,0,0,1,0,0|3,0,0]=4 233 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [0,0,0,1,0,0|3,0,0]=4 234 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [0,0,0,1,0,0|3,0,0]=4 235 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [0,0,0,1,0,0|3,0,0]=4 236 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [2,0,0,0,0,0|1,0,0]=3 237 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [2,0,0,0,0,0|1,0,0]=3 239 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [2,0,0,0,0,0|1,0,0]=3 240 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [2,0,0,0,0,0|1,1,0]=4 241 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [2,0,0,0,0,0|1,1,0]=4 242 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [2,0,0,0,0,0|1,1,0]=4 243 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [2,0,0,0,0,0|1,1,0]=4 244 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [2,0,0,0,0,0|1,1,0]=4 249 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [2,0,0,0,0,0|1,1,0]=4 250 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [2,0,0,0,0,0|1,0,0]=3 251 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [2,0,0,0,0,0|1,0,0]=3 252 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [1,1,0,0,0,0|2,0,0]=4 253 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [1,1,0,0,0,0|2,0,0]=4 254 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,1,0,0,0,0|2,0,0]=4 255 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,1,0,0,0,0|2,0,0]=4 256 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,1,0,0,0,0|2,0,0]=4 257 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,1,0,0,0,0|2,0,0]=4 258 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [1,1,0,0,0,0|2,0,0]=4 259 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [1,1,0,0,0,0|2,0,0]=4 260 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [1,1,0,0,0,0|2,0,0]=4 261 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [1,1,0,0,0,0|2,0,0]=4 262 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [1,1,0,0,0,0|2,0,0]=4 263 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [1,1,0,0,0,0|2,0,0]=4 264 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [1,1,0,0,0,0|1,1,0]=4 265 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [1,1,0,0,0,0|1,1,0]=4 266 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [1,1,0,0,0,0|1,0,0]=3 267 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [1,1,0,0,0,0|1,0,0]=3 268 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [1,1,0,0,0,0|2,0,0]=4 269 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [1,1,0,0,0,0|2,0,0]=4 270 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [1,1,0,0,0,0|2,0,0]=4 272 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [1,1,0,0,0,0|2,0,0]=4 274 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [1,1,0,0,0,0|2,0,0]=4 275 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [1,1,0,0,0,0|2,0,0]=4 276 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [1,1,0,0,0,0|2,0,0]=4 277 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [1,1,0,0,0,0|2,0,0]=4 278 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [1,1,0,0,0,0|2,0,0]=4 279 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [1,1,0,0,0,0|2,0,0]=4 280 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [1,1,0,0,0,0|2,0,0]=4 281 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [1,1,0,0,0,0|2,0,0]=4 282 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [1,1,0,0,0,0|2,0,0]=4 283 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [1,1,0,0,0,0|2,0,0]=4 284 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [1,1,0,0,0,0|2,0,0]=4 285 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [1,1,0,0,0,0|2,0,0]=4 286 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [1,1,0,0,0,0|2,0,0]=4 287 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [1,1,0,0,0,0|2,0,0]=4 288 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [1,1,0,0,0,0|2,0,0]=4 289 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [1,1,0,0,0,0|2,0,0]=4 290 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [1,1,0,0,0,0|2,0,0]=4 291 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [1,1,0,0,0,0|2,0,0]=4 292 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [1,1,0,0,0,0|1,0,1]=4 293 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [1,1,0,0,0,0|1,0,1]=4 294 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [1,1,0,0,0,0|1,0,0]=3 295 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [1,1,0,0,0,0|1,0,0]=3 296 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [1,1,0,0,0,0|1,0,0]=3 297 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [1,1,0,0,0,0|1,0,0]=3 298 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [1,1,0,0,0,0|1,0,0]=3 299 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [1,1,0,0,0,0|1,0,0]=3 300 B8R0.5 CCNC(=O)CN(C)C WXVL_AK00476SB0085 [1,1,0,0,0,0|2,0,0]=4 301 B8R0.5 CCNC(=O)CN(C)C WXVL_AK00476SB0085 [1,1,0,0,0,0|2,0,0]=4 302 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [1,1,0,0,0,0|0,1,1]=4 303 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [1,1,0,0,0,0|0,1,1]=4 304 B8R0.5 COCC(=O)NC(C)C WXVL_AK0030SB0090 [1,1,0,0,0,0|1,1,0]=4 305 B8R0.5 COCC(=O)NC(C)C WXVL_AK0030SB0090 [1,1,0,0,0,0|1,1,0]=4 306 B8R0.5 CSCC(=O)NC(C)C WXVL_AK0030SB1267 [1,1,0,0,0,0|1,0,0]=3 307 B8R0.5 CSCC(=O)NC(C)C WXVL_AK0030SB1267 [1,1,0,0,0,0|1,0,0]=3 308 B8R0.30 CCCS(=O)(=O)NCC WXVL_AK00476HU0030 [1,1,0,0,0,0|2,0,0]=4 309 B8R0.30 CCCS(=O)(=O)NCC WXVL_AK00476HU0030 [1,1,0,0,0,0|2,0,0]=4 310 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [0,2,0,0,0,0|2,0,0]=4 311 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [0,2,0,0,0,0|2,0,0]=4 312 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [0,2,0,0,0,0|2,0,0]=4 313 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [0,2,0,0,0,0|2,0,0]=4 314 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [0,2,0,0,0,0|2,0,0]=4 315 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [0,2,0,0,0,0|2,0,0]=4 316 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [0,2,0,0,0,0|2,0,0]=4 317 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [0,2,0,0,0,0|2,0,0]=4 318 B10R0.6 CSCCNC(=O)C=C(C)C WXVL_AK00440SB0342 [0,2,0,0,0,0|1,0,1]=4 319 B10R0.6 CSCCNC(=O)C=C(C)C WXVL_AK00440SB0342 [0,2,0,0,0,0|1,0,1]=4 320 B10R0.6 CSCCNC(=O)CC(C)C WXVL_AK00440SB0063 [0,2,0,0,0,0|1,0,0]=3 321 B10R0.6 CSCCNC(=O)CC(C)C WXVL_AK00440SB0063 [0,2,0,0,0,0|1,0,0]=3 322 B10R0.6 CSCCNC(=O)CC(C)O WXVL_AK00440SB3643 [0,2,0,0,0,0|1,0,0]=3 323 B10R0.6 CSCCNC(=O)CC(C)O WXVL_AK00440SB3643 [0,2,0,0,0,0|1,0,0]=3 324 B10R0.6 CSCCNC(=O)CN(C)C WXVL_AK00440SB0085 [0,2,0,0,0,0|2,0,0]=4 325 B10R0.6 CSCCNC(=O)CN(C)C WXVL_AK00440SB0085 [0,2,0,0,0,0|2,0,0]=4 326 B10R0.18 C#C[C@@H](C)NC(=O)CCOC WXVL_AK00735SB0156 [0,2,0,0,0,0|1,1,0]=4 327 B10R0.18 C#C[C@@H](C)NC(=O)CCOC WXVL_AK00735SB0156 [0,2,0,0,0,0|1,1,0]=4 328 B10R0.18 C#C[C@@H](C)NC(=O)CCSC WXVL_AK00735SB0361 [0,2,0,0,0,0|1,0,0]=3 329 B10R0.18 C#C[C@@H](C)NC(=O)CCSC WXVL_AK00735SB0361 [0,2,0,0,0,0|1,0,0]=3 330 B10R0.18 C=CC(C)NC(=O)CCOC WXVL_AK00769SB0156 [0,2,0,0,0,0|1,1,0]=4 331 B10R0.18 C=CC(C)NC(=O)CCOC WXVL_AK00769SB0156 [0,2,0,0,0,0|1,1,0]=4 332 B10R0.18 C=CC(C)NC(=O)CCSC WXVL_AK00769SB0361 [0,2,0,0,0,0|1,0,0]=3 333 B10R0.18 C=CC(C)NC(=O)CCSC WXVL_AK00769SB0361 [0,2,0,0,0,0|1,0,0]=3 334 B10R0.18 CCC(C)CC(=O)NCCF WXVL_AK00466SB0353 [0,2,0,0,0,0|2,0,0]=4 335 B10R0.18 CCC(C)CC(=O)NCCF WXVL_AK00466SB0353 [0,2,0,0,0,0|2,0,0]=4 336 B10R0.18 CCC(O)CC(=O)NCCF WXVL_AK00466SB4092 [0,2,0,0,0,0|2,0,0]=4 337 B10R0.18 CCC(O)CC(=O)NCCF WXVL_AK00466SB4092 [0,2,0,0,0,0|2,0,0]=4 338 B10R0.18 CCCNC(=O)CC(C)CC WXVL_AK00504SB0353 [0,2,0,0,0,0|2,0,0]=4 339 B10R0.18 CCCNC(=O)CC(C)CC WXVL_AK00504SB0353 [0,2,0,0,0,0|2,0,0]=4 340 B10R0.18 CCCNC(=O)CC(O)CC WXVL_AK00504SB4092 [0,2,0,0,0,0|2,0,0]=4 341 B10R0.18 CCCNC(=O)CC(O)CC WXVL_AK00504SB4092 [0,2,0,0,0,0|2,0,0]=4 342 B10R0.18 CCCNC(=O)C[C@H](C)CC WXVL_AK00504SB8650 [0,2,0,0,0,0|2,0,0]=4 343 B10R0.18 CCCNC(=O)C[C@H](C)CC WXVL_AK00504SB8650 [0,2,0,0,0,0|2,0,0]=4 344 B10R0.18 CCOCC(=O)N[C@@H](C)CC WXVL_AK00678SB0091 [0,2,0,0,0,0|2,0,0]=4 345 B10R0.18 CCOCC(=O)N[C@@H](C)CC WXVL_AK00678SB0091 [0,2,0,0,0,0|2,0,0]=4 346 B10R0.18 CC[C@@H](C)CC(=O)NCCF WXVL_AK00466SB8650 [0,2,0,0,0,0|2,0,0]=4 347 B10R0.18 CC[C@@H](C)CC(=O)NCCF WXVL_AK00466SB8650 [0,2,0,0,0,0|2,0,0]=4 348 B10R0.18 CC[C@H](C)NC(=O)CCOC WXVL_AK00678SB0156 [0,2,0,0,0,0|1,1,0]=4 349 B10R0.18 CC[C@H](C)NC(=O)CCOC WXVL_AK00678SB0156 [0,2,0,0,0,0|1,1,0]=4 350 B10R0.18 CC[C@H](C)NC(=O)CCSC WXVL_AK00678SB0361 [0,2,0,0,0,0|1,0,0]=3 351 B10R0.18 CC[C@H](C)NC(=O)CCSC WXVL_AK00678SB0361 [0,2,0,0,0,0|1,0,0]=3 352 B10R0.18 COCCC(=O)NC(C)C#N WXVL_AK00810SB0156 [0,2,0,0,0,0|1,1,0]=4 353 B10R0.18 COCCC(=O)NC(C)C#N WXVL_AK00810SB0156 [0,2,0,0,0,0|1,1,0]=4 354 B10R0.18 COCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0156 [0,2,0,0,0,0|1,1,0]=4 355 B10R0.18 COCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0156 [0,2,0,0,0,0|1,1,0]=4 356 B10R0.18 COCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0156 [0,2,0,0,0,0|1,1,0]=4 357 B10R0.18 COCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0156 [0,2,0,0,0,0|1,1,0]=4 358 B10R0.18 CSCCC(=O)NC(C)C#N WXVL_AK00810SB0361 [0,2,0,0,0,0|1,0,0]=3 359 B10R0.18 CSCCC(=O)NC(C)C#N WXVL_AK00810SB0361 [0,2,0,0,0,0|1,0,0]=3 360 B10R0.18 CSCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0361 [0,2,0,0,0,0|1,0,0]=3 361 B10R0.18 CSCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0361 [0,2,0,0,0,0|1,0,0]=3 362 B10R0.18 CSCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0361 [0,2,0,0,0,0|1,0,0]=3 363 B10R0.18 CSCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0361 [0,2,0,0,0,0|1,0,0]=3 364 B10R0.28 COCCC(=O)NC(C)(C)C WXVL_AK0024SB0156 [0,2,0,0,0,0|1,1,0]=4 365 B10R0.28 COCCC(=O)NC(C)(C)C WXVL_AK0024SB0156 [0,2,0,0,0,0|1,1,0]=4 366 B10R0.28 CSCCC(=O)NC(C)(C)C WXVL_AK0024SB0361 [0,2,0,0,0,0|1,0,0]=3 367 B10R0.28 CSCCC(=O)NC(C)(C)C WXVL_AK0024SB0361 [0,2,0,0,0,0|1,0,0]=3 368 B10R0.32 CCCC(C)C(=O)NC(C)C WXVL_AK0030SB0352 [0,2,0,0,0,0|2,0,0]=4 369 B10R0.32 CCCC(C)C(=O)NC(C)C WXVL_AK0030SB0352 [0,2,0,0,0,0|2,0,0]=4 370 B10R0.32 CCC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3627 [0,2,0,0,0,0|2,0,0]=4 371 B10R0.32 CCC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3627 [0,2,0,0,0,0|2,0,0]=4 372 B10R0.32 CCNC(=O)C(O)CC(C)C WXVL_AK00476SB4281 [0,2,0,0,0,0|2,0,0]=4 373 B10R0.32 CCNC(=O)C(O)CC(C)C WXVL_AK00476SB4281 [0,2,0,0,0,0|2,0,0]=4 374 B10R0.32 CCOC(=O)[C@H](C)NC(=O)C WXVL_AK1648SB0150 [0,2,0,0,0,0|2,0,0]=4 375 B10R0.32 CCOC(=O)[C@H](C)NC(=O)C WXVL_AK1648SB0150 [0,2,0,0,0,0|2,0,0]=4 376 B10R0.44 CCC(C)CC(=O)NC(C)C WXVL_AK0030SB0353 [0,2,0,0,0,0|2,0,0]=4 377 B10R0.44 CCC(C)CC(=O)NC(C)C WXVL_AK0030SB0353 [0,2,0,0,0,0|2,0,0]=4 378 B10R0.44 CCC(O)CC(=O)NC(C)C WXVL_AK0030SB4092 [0,2,0,0,0,0|2,0,0]=4 379 B10R0.44 CCC(O)CC(=O)NC(C)C WXVL_AK0030SB4092 [0,2,0,0,0,0|2,0,0]=4 380 B10R0.44 CC[C@@H](C)CC(=O)NC(C)C WXVL_AK0030SB8650 [0,2,0,0,0,0|2,0,0]=4 381 B10R0.44 CC[C@@H](C)CC(=O)NC(C)C WXVL_AK0030SB8650 [0,2,0,0,0,0|2,0,0]=4 382 B10R0.81 COCCC(=O)N(C)C(C)C WXVL_AN0073SB0156 [0,2,0,0,0,0|1,1,0]=4 383 B10R0.81 COCCC(=O)N(C)C(C)C WXVL_AN0073SB0156 [0,2,0,0,0,0|1,1,0]=4 384 B10R0.81 CSCCC(=O)N(C)C(C)C WXVL_AN0073SB0361 [0,2,0,0,0,0|1,0,0]=3 385 B10R0.81 CSCCC(=O)N(C)C(C)C WXVL_AN0073SB0361 [0,2,0,0,0,0|1,0,0]=3 386 B10R0.96 CC(=O)CCC(=O)NC(C)C WXVL_AK0030SB0072 [0,2,0,0,0,0|2,0,0]=4 387 B10R0.96 CC(=O)CCC(=O)NC(C)C WXVL_AK0030SB0072 [0,2,0,0,0,0|2,0,0]=4 388 B10R0.96 CC(C)CCC(=O)NC(C)C WXVL_AK0030SB0354 [0,2,0,0,0,0|2,0,0]=4 389 B10R0.96 CC(C)CCC(=O)NC(C)C WXVL_AK0030SB0354 [0,2,0,0,0,0|2,0,0]=4 390 B10R0.96 CC(C)NC(=O)CCN(C)C WXVL_AK0030SB00052 [0,2,0,0,0,0|2,0,0]=4 391 B10R0.96 CC(C)NC(=O)CCN(C)C WXVL_AK0030SB00052 [0,2,0,0,0,0|2,0,0]=4 392 B10R0.1 C#CCOCCC(=O)NCC WXVL_AK00476SBD927 [0,2,0,0,0,0|1,1,0]=4 393 B10R0.1 C#CCOCCC(=O)NCC WXVL_AK00476SBD927 [0,2,0,0,0,0|1,1,0]=4 394 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [0,2,0,0,0,0|1,0,1]=4 395 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [0,2,0,0,0,0|1,0,1]=4 396 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [0,2,0,0,0,0|1,0,1]=4 397 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [0,2,0,0,0,0|1,0,1]=4 398 B10R0.1 CC#CC(=O)NCCCSC WXVL_AK0965SB1240 [0,2,0,0,0,0|1,0,1]=4 399 B10R0.1 CC#CC(=O)NCCCSC WXVL_AK0965SB1240 [0,2,0,0,0,0|1,0,1]=4 400 B10R0.1 CC#CC(=O)NCCSCC WXVL_AK00494SB1240 [0,2,0,0,0,0|1,0,1]=4 401 B10R0.1 CC#CC(=O)NCCSCC WXVL_AK00494SB1240 [0,2,0,0,0,0|1,0,1]=4 402 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,2,0,0,0,0|2,0,0]=4 403 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,2,0,0,0,0|2,0,0]=4 404 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,2,0,0,0,0|1,1,0]=4 405 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,2,0,0,0,0|1,1,0]=4 406 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,2,0,0,0,0|1,0,0]=3 407 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,2,0,0,0,0|1,0,0]=3 408 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,2,0,0,0,0|1,0,0]=3 409 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,2,0,0,0,0|1,0,0]=3 410 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,2,0,0,0,0|2,0,0]=4 411 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,2,0,0,0,0|2,0,0]=4 412 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,2,0,0,0,0|2,0,0]=4 413 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,2,0,0,0,0|2,0,0]=4 414 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,2,0,0,0,0|2,0,0]=4 415 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,2,0,0,0,0|2,0,0]=4 416 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,2,0,0,0,0|1,1,0]=4 417 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,2,0,0,0,0|1,1,0]=4 418 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,2,0,0,0,0|2,0,0]=4 419 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,2,0,0,0,0|2,0,0]=4 420 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [0,2,0,0,0,0|2,0,0]=4 421 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [0,2,0,0,0,0|2,0,0]=4 422 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,2,0,0,0,0|2,0,0]=4 423 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,2,0,0,0,0|2,0,0]=4 424 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [0,2,0,0,0,0|2,0,0]=4 425 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [0,2,0,0,0,0|2,0,0]=4 426 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,2,0,0,0,0|2,0,0]=4 427 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,2,0,0,0,0|2,0,0]=4 428 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,2,0,0,0,0|1,1,0]=4 429 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,2,0,0,0,0|1,1,0]=4 430 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,2,0,0,0,0|1,1,0]=4 431 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,2,0,0,0,0|1,1,0]=4 432 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,2,0,0,0,0|1,0,1]=4 433 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,2,0,0,0,0|1,0,1]=4 434 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [0,2,0,0,0,0|2,0,0]=4 435 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [0,2,0,0,0,0|2,0,0]=4 436 B10R0.3 CCCC(=O)NCCN(C)C WXVL_AK0058SB0073 [0,2,0,0,0,0|2,0,0]=4 437 B10R0.3 CCCC(=O)NCCN(C)C WXVL_AK0058SB0073 [0,2,0,0,0,0|2,0,0]=4 438 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,2,0,0,0,0|2,0,0]=4 439 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,2,0,0,0,0|2,0,0]=4 440 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [0,2,0,0,0,0|2,0,0]=4 441 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [0,2,0,0,0,0|2,0,0]=4 442 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [0,2,0,0,0,0|2,0,0]=4 443 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [0,2,0,0,0,0|2,0,0]=4 444 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [0,2,0,0,0,0|2,0,0]=4 445 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [0,2,0,0,0,0|2,0,0]=4 446 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,2,0,0,0,0|1,0,0]=3 447 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,2,0,0,0,0|1,0,0]=3 448 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [0,2,0,0,0,0|1,1,0]=4 449 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [0,2,0,0,0,0|1,1,0]=4 450 B10R0.19 CCCC(C)C(=O)NCCF WXVL_AK00466SB0352 [0,2,0,0,0,0|2,0,0]=4 451 B10R0.19 CCCC(C)C(=O)NCCF WXVL_AK00466SB0352 [0,2,0,0,0,0|2,0,0]=4 452 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,2,0,0,0,0|2,0,0]=4 453 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,2,0,0,0,0|2,0,0]=4 454 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,2,0,0,0,0|1,0,1]=4 455 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,2,0,0,0,0|1,0,1]=4 456 B10R0.19 CCCNC(=O)C(C)CCC WXVL_AK00504SB0352 [0,2,0,0,0,0|2,0,0]=4 457 B10R0.19 CCCNC(=O)C(C)CCC WXVL_AK00504SB0352 [0,2,0,0,0,0|2,0,0]=4 458 B10R0.19 CCCNC(=O)[C@@H](O)CCC WXVL_AK00504SB3627 [0,2,0,0,0,0|2,0,0]=4 459 B10R0.19 CCCNC(=O)[C@@H](O)CCC WXVL_AK00504SB3627 [0,2,0,0,0,0|2,0,0]=4 460 B10R0.19 CCC[C@H](O)C(=O)NCCF WXVL_AK00466SB3627 [0,2,0,0,0,0|2,0,0]=4 461 B10R0.19 CCC[C@H](O)C(=O)NCCF WXVL_AK00466SB3627 [0,2,0,0,0,0|2,0,0]=4 462 B10R0.19 COCCC(=O)N(C)CCO WXVL_AN2670SB0156 [0,2,0,0,0,0|1,1,0]=4 463 B10R0.19 COCCC(=O)N(C)CCO WXVL_AN2670SB0156 [0,2,0,0,0,0|1,1,0]=4 464 B10R0.19 CSCCC(=O)N(C)CC#N WXVL_AN2942SB0361 [0,2,0,0,0,0|1,0,1]=4 465 B10R0.19 CSCCC(=O)N(C)CC#N WXVL_AN2942SB0361 [0,2,0,0,0,0|1,0,1]=4 466 B10R0.19 CSCCC(=O)N(C)CCO WXVL_AN2670SB0361 [0,2,0,0,0,0|1,0,0]=3 467 B10R0.19 CSCCC(=O)N(C)CCO WXVL_AN2670SB0361 [0,2,0,0,0,0|1,0,0]=3 468 B10R0.83 C/C=C(\C)/C(=O)NCCSC WXVL_AK00440SB0343 [0,2,0,0,0,0|1,0,1]=4 469 B10R0.83 C/C=C(\C)/C(=O)NCCSC WXVL_AK00440SB0343 [0,2,0,0,0,0|1,0,1]=4 470 B10R0.83 CCC(=O)C(=O)NCCSC WXVL_AK00440SB0344 [0,2,0,0,0,0|1,0,0]=3 471 B10R0.83 CCC(=O)C(=O)NCCSC WXVL_AK00440SB0344 [0,2,0,0,0,0|1,0,0]=3 472 B10R0.83 CCC(C)C(=O)NCCSC WXVL_AK00440SB0054 [0,2,0,0,0,0|1,0,0]=3 473 B10R0.83 CCC(C)C(=O)NCCSC WXVL_AK00440SB0054 [0,2,0,0,0,0|1,0,0]=3 474 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,2,0,0,0,0|2,0,0]=4 475 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,2,0,0,0,0|2,0,0]=4 476 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [0,2,0,0,0,0|2,0,0]=4 477 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [0,2,0,0,0,0|2,0,0]=4 478 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [0,2,0,0,0,0|2,0,0]=4 479 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [0,2,0,0,0,0|2,0,0]=4 480 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [0,2,0,0,0,0|2,0,0]=4 481 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [0,2,0,0,0,0|2,0,0]=4 482 B10R0.83 CC[C@@H](C)C(=O)NCCSC WXVL_AK00440SB00054 [0,2,0,0,0,0|1,0,0]=3 483 B10R0.83 CC[C@@H](C)C(=O)NCCSC WXVL_AK00440SB00054 [0,2,0,0,0,0|1,0,0]=3 484 B10R0.83 CC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3573 [0,2,0,0,0,0|1,0,0]=3 485 B10R0.83 CC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3573 [0,2,0,0,0,0|1,0,0]=3 486 B10R0.83 CO[C@H](C)C(=O)NCCSC WXVL_AK00440SB2926 [0,2,0,0,0,0|2,0,0]=4 487 B10R0.83 CO[C@H](C)C(=O)NCCSC WXVL_AK00440SB2926 [0,2,0,0,0,0|2,0,0]=4 488 B10R0.91 C#CCCC(=O)NCCSC WXVL_AK00440SB2189 [0,2,0,0,0,0|1,0,1]=4 489 B10R0.91 C#CCCC(=O)NCCSC WXVL_AK00440SB2189 [0,2,0,0,0,0|1,0,1]=4 490 B10R0.91 C#CCCNC(=O)CCOC WXVL_AK3109SB0156 [0,2,0,0,0,0|1,1,0]=4 491 B10R0.91 C#CCCNC(=O)CCOC WXVL_AK3109SB0156 [0,2,0,0,0,0|1,1,0]=4 492 B10R0.91 C#CCCNC(=O)CCSC WXVL_AK3109SB0361 [0,2,0,0,0,0|1,0,0]=3 493 B10R0.91 C#CCCNC(=O)CCSC WXVL_AK3109SB0361 [0,2,0,0,0,0|1,0,0]=3 494 B10R0.91 C#CCCNC(=O)COCC WXVL_AK3109SB0091 [0,2,0,0,0,0|1,0,1]=4 495 B10R0.91 C#CCCNC(=O)COCC WXVL_AK3109SB0091 [0,2,0,0,0,0|1,0,1]=4 496 B10R0.91 C=CCCC(=O)NCCSC WXVL_AK00440SB1035 [0,2,0,0,0,0|1,0,1]=4 497 B10R0.91 C=CCCC(=O)NCCSC WXVL_AK00440SB1035 [0,2,0,0,0,0|1,0,1]=4 498 B10R0.91 C=CCCNC(=O)CCOC WXVL_AK00138SB0156 [0,2,0,0,0,0|1,1,0]=4 499 B10R0.91 C=CCCNC(=O)CCOC WXVL_AK00138SB0156 [0,2,0,0,0,0|1,1,0]=4 500 B10R0.91 C=CCCNC(=O)CCSC WXVL_AK00138SB0361 [0,2,0,0,0,0|1,0,0]=3 501 B10R0.91 C=CCCNC(=O)CCSC WXVL_AK00138SB0361 [0,2,0,0,0,0|1,0,0]=3 502 B10R0.91 C=CCCNC(=O)COCC WXVL_AK00138SB0091 [0,2,0,0,0,0|1,0,1]=4 503 B10R0.91 C=CCCNC(=O)COCC WXVL_AK00138SB0091 [0,2,0,0,0,0|1,0,1]=4 504 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,2,0,0,0,0|1,1,0]=4 505 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,2,0,0,0,0|1,1,0]=4 506 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [0,2,0,0,0,0|1,0,0]=3 507 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [0,2,0,0,0,0|1,0,0]=3 508 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,2,0,0,0,0|1,0,0]=3 509 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,2,0,0,0,0|1,0,0]=3 510 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [0,2,0,0,0,0|1,1,0]=4 511 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [0,2,0,0,0,0|1,1,0]=4 512 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [0,2,0,0,0,0|2,0,0]=4 513 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [0,2,0,0,0,0|2,0,0]=4 514 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,2,0,0,0,0|2,0,0]=4 515 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,2,0,0,0,0|2,0,0]=4 516 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [0,2,0,0,0,0|2,0,0]=4 517 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [0,2,0,0,0,0|2,0,0]=4 518 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [0,2,0,0,0,0|2,0,0]=4 519 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [0,2,0,0,0,0|2,0,0]=4 520 B10R0.91 CCOCC(=O)NCCC#N WXVL_AK0087SB0091 [0,2,0,0,0,0|2,0,0]=4 521 B10R0.91 CCOCC(=O)NCCC#N WXVL_AK0087SB0091 [0,2,0,0,0,0|2,0,0]=4 522 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,2,0,0,0,0|2,0,0]=4 523 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,2,0,0,0,0|2,0,0]=4 524 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,2,0,0,0,0|0,0,0]=2 525 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,2,0,0,0,0|0,0,0]=2 526 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [0,2,0,0,0,0|0,1,0]=3 527 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [0,2,0,0,0,0|0,1,0]=3 528 B10R0.91 COCCC(=O)NCCC#N WXVL_AK0087SB0156 [0,2,0,0,0,0|1,1,0]=4 529 B10R0.91 COCCC(=O)NCCC#N WXVL_AK0087SB0156 [0,2,0,0,0,0|1,1,0]=4 530 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [0,2,0,0,0,0|1,1,0]=4 531 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [0,2,0,0,0,0|1,1,0]=4 532 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [0,2,0,0,0,0|1,0,0]=3 533 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [0,2,0,0,0,0|1,0,0]=3 534 B10R0.91 CSCCC(=O)NCCC#N WXVL_AK0087SB0361 [0,2,0,0,0,0|1,0,0]=3 535 B10R0.91 CSCCC(=O)NCCC#N WXVL_AK0087SB0361 [0,2,0,0,0,0|1,0,0]=3 536 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [0,2,0,0,0,0|1,0,0]=3 537 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [0,2,0,0,0,0|1,0,0]=3 538 B10R0.91 CSCCNC(=O)/C=C/CBr WXVL_AK00440SB0424 [0,2,0,0,0,0|1,0,1]=4 539 B10R0.91 CSCCNC(=O)/C=C/CBr WXVL_AK00440SB0424 [0,2,0,0,0,0|1,0,1]=4 540 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [0,2,0,0,0,0|1,0,0]=3 541 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [0,2,0,0,0,0|1,0,0]=3 542 B10R0.91 CSCCNC(=O)NCCCl WXVL_AK00440YV0092 [0,2,0,0,0,0|1,0,0]=3 543 B10R0.91 CSCCNC(=O)NCCCl WXVL_AK00440YV0092 [0,2,0,0,0,0|1,0,0]=3 544 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [0,2,0,0,0,0|2,0,0]=4 545 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [0,2,0,0,0,0|2,0,0]=4 546 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [0,2,0,0,0,0|2,0,0]=4 547 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [0,2,0,0,0,0|2,0,0]=4 548 B10R0.108 CCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0073 [0,2,0,0,0,0|1,1,0]=4 549 B10R0.108 CCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0073 [0,2,0,0,0,0|1,1,0]=4 550 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [0,2,0,0,0,0|1,1,0]=4 551 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [0,2,0,0,0,0|1,1,0]=4 552 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [0,2,0,0,0,0|1,0,1]=4 553 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [0,2,0,0,0,0|1,0,1]=4 554 B10R0.156 CCCS(=O)(=O)NCCSC WXVL_AK00440HU0030 [0,2,0,0,0,0|2,0,0]=4 555 B10R0.156 CCCS(=O)(=O)NCCSC WXVL_AK00440HU0030 [0,2,0,0,0,0|2,0,0]=4 556 B10R0.21 CCN(CC)C(=O)CCOC WXVL_AN0042SB0156 [0,2,0,0,0,0|1,1,0]=4 557 B10R0.21 CCN(CC)C(=O)CCOC WXVL_AN0042SB0156 [0,2,0,0,0,0|1,1,0]=4 558 B10R0.21 CCN(CC)C(=O)CCSC WXVL_AN0042SB0361 [0,2,0,0,0,0|1,0,0]=3 559 B10R0.21 CCN(CC)C(=O)CCSC WXVL_AN0042SB0361 [0,2,0,0,0,0|1,0,0]=3 560 B10R0.78 C=C(C)CNC(=O)CCOC WXVL_AK0761SB0156 [0,2,0,0,0,0|1,1,0]=4 561 B10R0.78 C=C(C)CNC(=O)CCOC WXVL_AK0761SB0156 [0,2,0,0,0,0|1,1,0]=4 562 B10R0.78 C=C(C)CNC(=O)CCSC WXVL_AK0761SB0361 [0,2,0,0,0,0|1,0,0]=3 563 B10R0.78 C=C(C)CNC(=O)CCSC WXVL_AK0761SB0361 [0,2,0,0,0,0|1,0,0]=3 564 B10R0.78 C=C(C)CNC(=O)COCC WXVL_AK0761SB0091 [0,2,0,0,0,0|2,0,0]=4 565 B10R0.78 C=C(C)CNC(=O)COCC WXVL_AK0761SB0091 [0,2,0,0,0,0|2,0,0]=4 566 B10R0.78 CC(=O)CCC(=O)NCCF WXVL_AK00466SB0072 [0,2,0,0,0,0|2,0,0]=4 567 B10R0.78 CC(=O)CCC(=O)NCCF WXVL_AK00466SB0072 [0,2,0,0,0,0|2,0,0]=4 568 B10R0.78 CC(C)CCC(=O)NCCF WXVL_AK00466SB0354 [0,2,0,0,0,0|2,0,0]=4 569 B10R0.78 CC(C)CCC(=O)NCCF WXVL_AK00466SB0354 [0,2,0,0,0,0|2,0,0]=4 570 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [0,2,0,0,0,0|2,0,0]=4 571 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [0,2,0,0,0,0|2,0,0]=4 572 B10R0.78 CCCNC(=O)CCC(C)C WXVL_AK00504SB0354 [0,2,0,0,0,0|2,0,0]=4 573 B10R0.78 CCCNC(=O)CCC(C)C WXVL_AK00504SB0354 [0,2,0,0,0,0|2,0,0]=4 574 B10R0.78 CCCNC(=O)CCN(C)C WXVL_AK00504SB00052 [0,2,0,0,0,0|2,0,0]=4 575 B10R0.78 CCCNC(=O)CCN(C)C WXVL_AK00504SB00052 [0,2,0,0,0,0|2,0,0]=4 576 B10R0.78 CCCNC(=O)COC(C)C WXVL_AK00504SB0213 [0,2,0,0,0,0|2,0,0]=4 577 B10R0.78 CCCNC(=O)COC(C)C WXVL_AK00504SB0213 [0,2,0,0,0,0|2,0,0]=4 578 B10R0.78 CCOCC(=O)NCC(C)C WXVL_AK00544SB0091 [0,2,0,0,0,0|2,0,0]=4 579 B10R0.78 CCOCC(=O)NCC(C)C WXVL_AK00544SB0091 [0,2,0,0,0,0|2,0,0]=4 580 B10R0.78 CCOCC(=O)NCC(C)O WXVL_AK0052SB0091 [0,2,0,0,0,0|2,0,0]=4 581 B10R0.78 CCOCC(=O)NCC(C)O WXVL_AK0052SB0091 [0,2,0,0,0,0|2,0,0]=4 582 B10R0.78 CCOCC(=O)NC[C@H](C)O WXVL_AK0113SB0091 [0,2,0,0,0,0|2,0,0]=4 583 B10R0.78 CCOCC(=O)NC[C@H](C)O WXVL_AK0113SB0091 [0,2,0,0,0,0|2,0,0]=4 584 B10R0.78 CN(C)CCC(=O)NCCF WXVL_AK00466SB00052 [0,2,0,0,0,0|2,0,0]=4 585 B10R0.78 CN(C)CCC(=O)NCCF WXVL_AK00466SB00052 [0,2,0,0,0,0|2,0,0]=4 586 B10R0.78 COCCC(=O)NCC(C)C WXVL_AK00544SB0156 [0,2,0,0,0,0|1,1,0]=4 587 B10R0.78 COCCC(=O)NCC(C)C WXVL_AK00544SB0156 [0,2,0,0,0,0|1,1,0]=4 588 B10R0.78 COCCC(=O)NCC(C)O WXVL_AK0052SB0156 [0,2,0,0,0,0|1,1,0]=4 589 B10R0.78 COCCC(=O)NCC(C)O WXVL_AK0052SB0156 [0,2,0,0,0,0|1,1,0]=4 590 B10R0.78 COCCC(=O)NCC(F)F WXVL_AK0136SB0156 [0,2,0,0,0,0|1,1,0]=4 591 B10R0.78 COCCC(=O)NCC(F)F WXVL_AK0136SB0156 [0,2,0,0,0,0|1,1,0]=4 592 B10R0.78 COCCC(=O)NC[C@H](C)O WXVL_AK0113SB0156 [0,2,0,0,0,0|1,1,0]=4 593 B10R0.78 COCCC(=O)NC[C@H](C)O WXVL_AK0113SB0156 [0,2,0,0,0,0|1,1,0]=4 594 B10R0.78 CSCCC(=O)NCC(=O)N WXVL_AK0147SB0361 [0,2,0,0,0,0|1,0,1]=4 595 B10R0.78 CSCCC(=O)NCC(=O)N WXVL_AK0147SB0361 [0,2,0,0,0,0|1,0,1]=4 596 B10R0.78 CSCCC(=O)NCC(C)C WXVL_AK00544SB0361 [0,2,0,0,0,0|1,0,0]=3 597 B10R0.78 CSCCC(=O)NCC(C)C WXVL_AK00544SB0361 [0,2,0,0,0,0|1,0,0]=3 598 B10R0.78 CSCCC(=O)NCC(C)O WXVL_AK0052SB0361 [0,2,0,0,0,0|1,0,0]=3 599 B10R0.78 CSCCC(=O)NCC(C)O WXVL_AK0052SB0361 [0,2,0,0,0,0|1,0,0]=3 600 B10R0.78 CSCCC(=O)NCC(F)F WXVL_AK0136SB0361 [0,2,0,0,0,0|1,0,0]=3 601 B10R0.78 CSCCC(=O)NCC(F)F WXVL_AK0136SB0361 [0,2,0,0,0,0|1,0,0]=3 602 B10R0.78 CSCCC(=O)NC[C@H](C)O WXVL_AK0113SB0361 [0,2,0,0,0,0|1,0,0]=3 603 B10R0.78 CSCCC(=O)NC[C@H](C)O WXVL_AK0113SB0361 [0,2,0,0,0,0|1,0,0]=3 604 B10R0.7 CCOC(=O)CS(=O)(=O)NC WXVL_AK00442HU0462 [0,2,0,0,0,0|2,0,0]=4 605 B10R0.7 CCOC(=O)CS(=O)(=O)NC WXVL_AK00442HU0462 [0,2,0,0,0,0|2,0,0]=4 606 B10R0.26 CCOC(=O)CC(=O)N(C)C WXVL_AN0032SB3094 [0,2,0,0,0,0|1,0,1]=4 607 B10R0.26 CCOC(=O)CC(=O)N(C)C WXVL_AN0032SB3094 [0,2,0,0,0,0|1,0,1]=4 608 B10R0.129 CCCC(C)(C)C(=O)NCC WXVL_AK00476SB0372 [0,2,0,0,0,0|2,0,0]=4 609 B10R0.129 CCCC(C)(C)C(=O)NCC WXVL_AK00476SB0372 [0,2,0,0,0,0|2,0,0]=4 610 B10R0.129 CCNC(=O)C(C)(C)CSC WXVL_AK00476SBF473 [0,2,0,0,0,0|1,0,0]=3 611 B10R0.129 CCNC(=O)C(C)(C)CSC WXVL_AK00476SBF473 [0,2,0,0,0,0|1,0,0]=3 612 B10R0.109 CCNC(=O)CCS(=O)(=O)C WXVL_AK00476SB0009 [0,2,0,0,0,0|1,0,1]=4 613 B10R0.109 CCNC(=O)CCS(=O)(=O)C WXVL_AK00476SB0009 [0,2,0,0,0,0|1,0,1]=4 614 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [1,0,0,1,0,0|2,0,0]=4 615 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [1,0,0,1,0,0|2,0,0]=4 616 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [1,0,0,1,0,0|2,0,0]=4 617 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [1,0,0,1,0,0|2,0,0]=4 618 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [1,0,0,1,0,0|2,0,0]=4 619 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [1,0,0,1,0,0|2,0,0]=4 620 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [1,0,0,1,0,0|2,0,0]=4 621 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [1,0,0,1,0,0|2,0,0]=4 622 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [1,0,0,1,0,0|1,0,0]=3 623 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [1,0,0,1,0,0|1,0,0]=3 624 B10R1.110 CC(C)NC(=O)C1CC1C WXVL_AK0030SB0041 [0,1,0,1,0,0|2,0,0]=4 625 B10R1.110 CC(C)NC(=O)C1CC1C WXVL_AK0030SB0041 [0,1,0,1,0,0|2,0,0]=4 626 B10R1.180 CCCNC(=O)CC1CC1 WXVL_AK00504SB0155 [0,1,0,1,0,0|2,0,0]=4 627 B10R1.180 CCCNC(=O)CC1CC1 WXVL_AK00504SB0155 [0,1,0,1,0,0|2,0,0]=4 628 B10R1.180 CCOCC(=O)NC1CC1 WXVL_AK0001SB0091 [0,1,0,1,0,0|2,0,0]=4 629 B10R1.180 CCOCC(=O)NC1CC1 WXVL_AK0001SB0091 [0,1,0,1,0,0|2,0,0]=4 630 B10R1.180 COCCC(=O)NC1CC1 WXVL_AK0001SB0156 [0,1,0,1,0,0|1,1,0]=4 631 B10R1.180 COCCC(=O)NC1CC1 WXVL_AK0001SB0156 [0,1,0,1,0,0|1,1,0]=4 632 B10R1.180 CSCCC(=O)NC1CC1 WXVL_AK0001SB0361 [0,1,0,1,0,0|1,0,0]=3 633 B10R1.180 CSCCC(=O)NC1CC1 WXVL_AK0001SB0361 [0,1,0,1,0,0|1,0,0]=3 634 B10R1.180 O=C(CC1CC1)NCCF WXVL_AK00466SB0155 [0,1,0,1,0,0|2,0,0]=4 635 B10R1.180 O=C(CC1CC1)NCCF WXVL_AK00466SB0155 [0,1,0,1,0,0|2,0,0]=4 636 B10R1.266 CC(C)NC(=O)C1CCC1 WXVL_AK0030SB0042 [0,1,0,1,0,0|2,0,0]=4 637 B10R1.266 CC(C)NC(=O)C1CCC1 WXVL_AK0030SB0042 [0,1,0,1,0,0|2,0,0]=4 638 B10R1.268 CC(C)NC(=O)CC1CC1 WXVL_AK0030SB0155 [0,1,0,1,0,0|2,0,0]=4 639 B10R1.268 CC(C)NC(=O)CC1CC1 WXVL_AK0030SB0155 [0,1,0,1,0,0|2,0,0]=4 640 B10R1.293 CC1CC1C(=O)NCCF WXVL_AK00466SB0041 [0,1,0,1,0,0|2,0,0]=4 641 B10R1.293 CC1CC1C(=O)NCCF WXVL_AK00466SB0041 [0,1,0,1,0,0|2,0,0]=4 642 B10R1.293 CCCNC(=O)C1CC1C WXVL_AK00504SB0041 [0,1,0,1,0,0|2,0,0]=4 643 B10R1.293 CCCNC(=O)C1CC1C WXVL_AK00504SB0041 [0,1,0,1,0,0|2,0,0]=4 644 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,1,0,1,0,0|2,0,0]=4 645 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,1,0,1,0,0|2,0,0]=4 646 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,1,0,1,0,0|2,0,0]=4 647 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,1,0,1,0,0|2,0,0]=4 648 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,1,0,1,0,0|2,0,0]=4 649 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,1,0,1,0,0|2,0,0]=4 650 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,1,0,1,0,0|2,0,0]=4 651 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,1,0,1,0,0|2,0,0]=4 652 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,1,0,1,0,0|2,0,0]=4 653 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,1,0,1,0,0|2,0,0]=4 654 B10R1.137 C/C=C/C(=O)NC1CSC1 WXVL_AK2089SB0340 [0,1,0,1,0,0|1,0,1]=4 655 B10R1.137 C/C=C/C(=O)NC1CSC1 WXVL_AK2089SB0340 [0,1,0,1,0,0|1,0,1]=4 656 B10R1.137 CC#CC(=O)NC1CSC1 WXVL_AK2089SB1240 [0,1,0,1,0,0|1,0,1]=4 657 B10R1.137 CC#CC(=O)NC1CSC1 WXVL_AK2089SB1240 [0,1,0,1,0,0|1,0,1]=4 658 B10R1.137 CCCC(=O)NC1CNC1 WXVL_AK1291SB0073 [0,1,0,1,0,0|2,0,0]=4 659 B10R1.137 CCCC(=O)NC1CNC1 WXVL_AK1291SB0073 [0,1,0,1,0,0|2,0,0]=4 660 B10R1.137 CCCC(=O)NC1CSC1 WXVL_AK2089SB0073 [0,1,0,1,0,0|1,0,0]=3 661 B10R1.137 CCCC(=O)NC1CSC1 WXVL_AK2089SB0073 [0,1,0,1,0,0|1,0,0]=3 662 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,1,0,1,0,0|2,0,0]=4 663 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,1,0,1,0,0|2,0,0]=4 664 B10R1.137 COCC(=O)NC1CSC1 WXVL_AK2089SB0090 [0,1,0,1,0,0|2,0,0]=4 665 B10R1.137 COCC(=O)NC1CSC1 WXVL_AK2089SB0090 [0,1,0,1,0,0|2,0,0]=4 666 B10R1.137 CSCC(=O)NC1CSC1 WXVL_AK2089SB1267 [0,1,0,1,0,0|2,0,0]=4 667 B10R1.137 CSCC(=O)NC1CSC1 WXVL_AK2089SB1267 [0,1,0,1,0,0|2,0,0]=4 668 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,1,0,1,0,0|2,0,0]=4 669 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,1,0,1,0,0|2,0,0]=4 670 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [0,1,0,1,0,0|2,0,0]=4 671 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [0,1,0,1,0,0|2,0,0]=4 672 B10R1.186 CSCCNC(=O)C1CC1 WXVL_AK00440SB0038 [0,1,0,1,0,0|1,0,0]=3 673 B10R1.186 CSCCNC(=O)C1CC1 WXVL_AK00440SB0038 [0,1,0,1,0,0|1,0,0]=3 674 B10R1.178 CCCNC(=O)C1CCC1 WXVL_AK00504SB0042 [0,1,0,1,0,0|2,0,0]=4 675 B10R1.178 CCCNC(=O)C1CCC1 WXVL_AK00504SB0042 [0,1,0,1,0,0|2,0,0]=4 676 B10R1.178 O=C(NCCF)C1CCC1 WXVL_AK00466SB0042 [0,1,0,1,0,0|2,0,0]=4 677 B10R1.178 O=C(NCCF)C1CCC1 WXVL_AK00466SB0042 [0,1,0,1,0,0|2,0,0]=4 678 B10R1.140 C=C1CC(C1)C(=O)NCC WXVL_AK00476SB0804 [0,1,0,1,0,0|2,0,0]=4 679 B10R1.140 C=C1CC(C1)C(=O)NCC WXVL_AK00476SB0804 [0,1,0,1,0,0|2,0,0]=4 680 B10R1.140 CCNC(=O)C1CN(C1)C WXVL_AK00476SB0021 [0,1,0,1,0,0|2,0,0]=4 681 B10R1.140 CCNC(=O)C1CN(C1)C WXVL_AK00476SB0021 [0,1,0,1,0,0|2,0,0]=4 682 B10R1.140 CCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00476SB3648 [0,1,0,1,0,0|2,0,0]=4 683 B10R1.140 CCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00476SB3648 [0,1,0,1,0,0|2,0,0]=4 684 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00476SB0837 [0,1,0,1,0,0|2,0,0]=4 685 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00476SB0837 [0,1,0,1,0,0|2,0,0]=4 686 B10R1.401 CCNC(=O)C1(CCC1)Br WXVL_AK00476SB0465 [0,1,0,1,0,0|2,0,0]=4 687 B10R1.401 CCNC(=O)C1(CCC1)Br WXVL_AK00476SB0465 [0,1,0,1,0,0|2,0,0]=4 688 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,1,0,1,0,0|2,0,0]=4 689 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,1,0,1,0,0|2,0,0]=4 690 B10R1.401 CCNC(=O)C1(CCC1)F WXVL_AK00476SB0033 [0,1,0,1,0,0|2,0,0]=4 691 B10R1.401 CCNC(=O)C1(CCC1)F WXVL_AK00476SB0033 [0,1,0,1,0,0|2,0,0]=4 692 B10R1.401 CCNC(=O)C1(COC1)C WXVL_AK00476SB0214 [0,1,0,1,0,0|1,1,0]=4 693 B10R1.401 CCNC(=O)C1(COC1)C WXVL_AK00476SB0214 [0,1,0,1,0,0|1,1,0]=4 694 B10R1.113 CC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0150 [0,1,0,1,0,0|2,0,0]=4 695 B10R1.400 CCNC(=O)C1CC1(C)C WXVL_AK00476SB0012 [0,1,0,1,0,0|2,0,0]=4 696 B10R1.400 CCNC(=O)C1CC1(C)C WXVL_AK00476SB0012 [0,1,0,1,0,0|2,0,0]=4