0 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,1,0,0,0,0|2,0,1]=4 1 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,1,0,0,0,0|2,0,1]=4 2 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [0,1,0,0,0,0|0,0,2]=3 3 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [0,1,0,0,0,0|0,0,2]=3 4 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [0,1,0,0,0,0|0,0,0]=1 5 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [0,1,0,0,0,0|0,0,0]=1 6 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,1,0,0,0,0|1,0,0]=2 7 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,1,0,0,0,0|1,0,0]=2 8 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,1,0,0,0,0|1,0,1]=3 22 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,1,0,0,0,0|0,0,2]=4 23 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,1,0,0,0,0|0,0,2]=4 24 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,1,0,0,0,0|0,0,2]=4 25 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,1,0,0,0,0|0,0,2]=4 26 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,1,0,0,0,0|0,0,0]=2 27 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,1,0,0,0,0|0,0,0]=2 28 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,1,0,0,0,0|0,0,1]=3 29 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,1,0,0,0,0|0,0,1]=3 30 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,2,0,0,0,0|1,0,0]=3 40 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,2,0,0,0,0|0,0,2]=4 41 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,2,0,0,0,0|0,0,2]=4 42 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,2,0,0,0,0|0,0,2]=4 43 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,2,0,0,0,0|0,0,2]=4 44 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,2,0,0,0,0|0,0,2]=4 45 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,2,0,0,0,0|0,0,2]=4 46 B7R0.3 C#CC(=O)NCC=C WXVL_AK00561SB0338 [0,2,0,0,0,0|1,0,0]=3 47 B7R0.3 C#CC(=O)NCC=C WXVL_AK00561SB0338 [0,2,0,0,0,0|1,0,0]=3 48 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,2,0,0,0,0|0,0,2]=4 49 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,2,0,0,0,0|0,0,2]=4 50 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,2,0,0,0,0|0,0,0]=2 51 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,2,0,0,0,0|0,0,0]=2 52 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,2,0,0,0,0|0,0,2]=4 62 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,2,0,0,0,0|0,0,2]=4 63 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.5 C[C@H](NC=O)C(=O)N WXVL_AK0084SB5176 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.5 C[C@H](NC=O)C(=O)N WXVL_AK0084SB5176 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,2,0,0,0,0|0,0,2]=4 67 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,2,0,0,0,0|0,0,2]=4 68 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,2,0,0,0,0|0,0,2]=4 69 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,2,0,0,0,0|0,0,2]=4 70 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,2,0,0,0,0|0,0,2]=4 71 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,2,0,0,0,0|0,0,0]=2 73 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,2,0,0,0,0|0,0,0]=2 74 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,2,0,0,0,0|0,0,0]=2 75 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,2,0,0,0,0|0,0,0]=2 76 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,2,0,0,0,0|1,0,1]=4 80 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,2,0,0,0,0|0,0,2]=4 81 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,2,0,0,0,0|0,0,2]=4 82 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,2,0,0,0,0|0,0,2]=4 83 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,2,0,0,0,0|0,0,2]=4 84 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,2,0,0,0,0|0,0,2]=4 87 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,2,0,0,0,0|0,0,2]=4 88 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,2,0,0,0,0|0,0,2]=4 89 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,2,0,0,0,0|0,0,2]=4 90 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [0,2,0,0,0,0|0,0,1]=3 93 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [0,2,0,0,0,0|0,0,1]=3 94 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [0,2,0,0,0,0|1,0,1]=4 96 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,2,0,0,0,0|0,0,2]=4 103 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,2,0,0,0,0|0,0,2]=4 104 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.6 NC(=O)CCC(=O)N WXVL_AK0084SB0358 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.6 NC(=O)CCC(=O)N WXVL_AK0084SB0358 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.6 NC(=O)CNC(=O)N WXVL_AK0084SB0746 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.6 NC(=O)CNC(=O)N WXVL_AK0084SB0746 [0,2,0,0,0,0|2,0,0]=4 110 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,1,0,1,0,0|0,0,2]=4 111 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,1,0,1,0,0|0,0,2]=4 112 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,1,0,1,0,0|0,0,2]=4 117 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,1,0,1,0,0|0,0,2]=4 118 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [0,1,0,1,0,0|0,0,2]=4 119 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [0,1,0,1,0,0|0,0,2]=4