0 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,0,0,0,0,0|1,1,0]=2 17 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,0,0,0,0,0|1,1,0]=2 18 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,0,0,0,0|1,1,0]=3 33 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,0,0,0,0|1,1,0]=3 34 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.2 C#C[C@@H](C)NC(=O)C WXVL_AK00735SB0150 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.2 C#C[C@@H](C)NC(=O)C WXVL_AK00735SB0150 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.2 CC(=O)NC(C)C#N WXVL_AK00810SB0150 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.2 CC(=O)NC(C)C#N WXVL_AK00810SB0150 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [0,1,0,0,0,0|1,1,1]=4 57 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [0,1,0,0,0,0|1,1,1]=4 58 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,0,0,0,0|0,1,0]=2 81 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,0,0,0,0|0,1,0]=2 82 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|0,0,0]=1 83 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|0,0,0]=1 84 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,1,0,0,0,0|1,0,1]=3 93 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,1,0,0,0,0|1,0,1]=3 94 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,1,0,0,0,0|1,0,1]=3 98 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,0,0,0,0|1,0,0]=2 105 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,0,0,0,0|1,0,0]=2 106 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,0,0,0,0|0,0,0]=1 107 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,0,0,0,0|0,0,0]=1 108 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.5 CC(=O)N(C)CC#N WXVL_AN2942SB0150 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.5 CC(=O)N(C)CC#N WXVL_AN2942SB0150 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [0,1,0,0,0,0|2,0,0]=3 128 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [0,1,0,0,0,0|3,0,0]=4 144 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,1,0,0,0,0|2,0,0]=3 146 B7R0.6 CC(C)OCC(=O)N WXVL_AK0084SB0213 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.6 CC(C)OCC(=O)N WXVL_AK0084SB0213 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.6 NC(=O)CCC(=O)N WXVL_AK0084SB0358 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.6 NC(=O)CCC(=O)N WXVL_AK0084SB0358 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.8 COCCS(=O)(=O)N WXVL_AK0084HU0155 [0,1,0,0,0,0|2,1,0]=4 155 B7R0.8 COCCS(=O)(=O)N WXVL_AK0084HU0155 [0,1,0,0,0,0|2,1,0]=4 156 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [0,0,0,1,0,0|2,0,0]=3 168 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [2,0,0,0,0,0|1,0,0]=3 169 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [2,0,0,0,0,0|1,0,0]=3 170 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [2,0,0,0,0,0|1,0,0]=3 171 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [2,0,0,0,0,0|1,0,0]=3 172 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [2,0,0,0,0,0|1,1,0]=4 173 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [2,0,0,0,0,0|1,1,0]=4 174 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,1,0,0,0,0|0,0,2]=4 177 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,1,0,0,0,0|0,0,2]=4 178 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,1,0,0,0,0|0,0,2]=4 179 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,1,0,0,0,0|0,0,2]=4 180 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,1,0,0,0,0|0,0,2]=4 181 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,1,0,0,0,0|0,0,2]=4 182 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,1,0,0,0,0|0,0,2]=4 183 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,1,0,0,0,0|0,0,2]=4 184 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,1,0,0,0,0|0,0,0]=2 185 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,1,0,0,0,0|0,0,0]=2 186 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,1,0,0,0,0|0,1,0]=3 193 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,1,0,0,0,0|0,1,0]=3 194 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,1,0,0,0,0|0,0,0]=2 195 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,1,0,0,0,0|0,0,0]=2 196 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [1,1,0,0,0,0|1,1,0]=4 215 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [1,1,0,0,0,0|1,1,0]=4 216 B6R0.5 CCCS(=O)(=O)N WXVL_AK0084HU0030 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.5 CCCS(=O)(=O)N WXVL_AK0084HU0030 [1,1,0,0,0,0|2,0,0]=4 218 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,2,0,0,0,0|2,0,0]=4 220 B8R0.5 CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0150 [0,2,0,0,0,0|2,0,0]=4 221 B8R0.5 CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0150 [0,2,0,0,0,0|2,0,0]=4 222 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,2,0,0,0,0|1,0,0]=3 223 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,2,0,0,0,0|1,0,0]=3 224 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,2,0,0,0,0|0,1,0]=3 225 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,2,0,0,0,0|0,1,0]=3 226 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,2,0,0,0,0|0,1,0]=3 227 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,2,0,0,0,0|0,1,0]=3 228 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.16 CC[C@H](CO)NC(=O)C WXVL_AK0111SB0150 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,2,0,0,0,0|1,0,0]=3 233 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,2,0,0,0,0|1,0,0]=3 235 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,2,0,0,0,0|1,0,0]=3 236 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,2,0,0,0,0|1,0,0]=3 237 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|2,0,0]=4 239 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,2,0,0,0,0|0,1,1]=4 241 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,2,0,0,0,0|0,1,1]=4 242 B8R0.23 CC(C)CC(O)C(=O)N WXVL_AK0084SB4281 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.23 CC(C)CC(O)C(=O)N WXVL_AK0084SB4281 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,2,0,0,0,0|2,0,0]=4 245 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,2,0,0,0,0|1,0,1]=4 247 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|2,0,0]=4 249 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|0,1,0]=3 265 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|0,1,0]=3 266 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|0,0,0]=2 267 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|0,0,0]=2 268 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|1,0,0]=3 273 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|1,0,0]=3 274 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|1,0,0]=3 275 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,2,0,0,0,0|1,0,1]=4 278 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,2,0,0,0,0|0,0,1]=3 279 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,2,0,0,0,0|0,0,1]=3 280 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,2,0,0,0,0|1,0,1]=4 285 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,2,0,0,0,0|1,0,1]=4 286 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,2,0,0,0,0|1,0,1]=4 287 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,2,0,0,0,0|1,0,1]=4 288 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,2,0,0,0,0|1,0,1]=4 289 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,2,0,0,0,0|1,0,1]=4 290 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,2,0,0,0,0|1,0,1]=4 291 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,2,0,0,0,0|1,0,1]=4 292 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,2,0,0,0,0|1,0,1]=4 293 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,2,0,0,0,0|1,0,1]=4 294 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|0,0,0]=2 299 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|0,0,0]=2 300 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|1,0,0]=3 302 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|1,0,0]=3 303 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|1,0,0]=3 305 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|1,0,0]=3 306 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|1,0,0]=3 307 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,2,0,0,0,0|2,0,0]=4 309 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,2,0,0,0,0|2,0,0]=4 310 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|0,0,0]=2 311 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|0,0,0]=2 312 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,2,0,0,0,0|2,0,0]=4 313 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,2,0,0,0,0|2,0,0]=4 314 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|2,0,0]=4 315 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.8 C#CCCC(=O)N(C)C WXVL_AN0032SB2189 [0,2,0,0,0,0|1,0,1]=4 317 B8R0.8 C#CCCC(=O)N(C)C WXVL_AN0032SB2189 [0,2,0,0,0,0|1,0,1]=4 318 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|2,0,0]=4 321 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|2,0,0]=4 322 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,2,0,0,0,0|1,0,1]=4 323 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,2,0,0,0,0|2,0,0]=4 330 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|2,0,0]=4 331 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|2,0,0]=4 332 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,2,0,0,0,0|2,0,0]=4 334 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,2,0,0,0,0|2,0,0]=4 335 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,2,0,0,0,0|0,1,0]=3 337 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,2,0,0,0,0|0,1,0]=3 338 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,2,0,0,0,0|0,1,0]=3 339 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,2,0,0,0,0|0,1,0]=3 340 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,2,0,0,0,0|0,0,0]=2 341 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,2,0,0,0,0|0,0,0]=2 342 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,2,0,0,0,0|2,0,0]=4 345 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [0,2,0,0,0,0|2,0,0]=4 347 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [0,2,0,0,0,0|2,0,0]=4 348 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,2,0,0,0,0|2,0,0]=4 350 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|2,0,0]=4 351 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|2,0,0]=4 352 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,2,0,0,0,0|1,0,0]=3 361 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,2,0,0,0,0|1,0,0]=3 362 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,2,0,0,0,0|1,0,0]=3 366 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,2,0,0,0,0|1,0,0]=3 367 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,2,0,0,0,0|1,0,0]=3 368 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,2,0,0,0,0|1,0,1]=4 369 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,2,0,0,0,0|1,0,1]=4 371 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,2,0,0,0,0|1,0,1]=4 372 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,2,0,0,0,0|1,0,1]=4 374 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,2,0,0,0,0|2,0,0]=4 376 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,2,0,0,0,0|1,0,1]=4 377 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,2,0,0,0,0|1,0,1]=4 378 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,2,0,0,0,0|1,1,0]=4 379 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,2,0,0,0,0|1,1,0]=4 380 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [0,2,0,0,0,0|0,1,0]=3 381 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [0,2,0,0,0,0|0,1,0]=3 382 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|2,0,0]=4 383 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.25 CNS(=O)(=O)CCOC WXVL_AK00442HU0155 [0,2,0,0,0,0|1,1,0]=4 387 B8R0.25 CNS(=O)(=O)CCOC WXVL_AK00442HU0155 [0,2,0,0,0,0|1,1,0]=4 388 B8R0.7 C#CCCCNC(=O)C WXVL_AK00218SB0150 [0,2,0,0,0,0|1,0,1]=4 389 B8R0.7 C#CCCCNC(=O)C WXVL_AK00218SB0150 [0,2,0,0,0,0|1,0,1]=4 390 B8R0.7 C#CCOCCC(=O)N WXVL_AK0084SBD927 [0,2,0,0,0,0|1,1,0]=4 391 B8R0.7 C#CCOCCC(=O)N WXVL_AK0084SBD927 [0,2,0,0,0,0|1,1,0]=4 392 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,2,0,0,0,0|1,0,0]=3 393 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,2,0,0,0,0|1,0,0]=3 396 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,2,0,0,0,0|0,0,0]=2 397 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,2,0,0,0,0|0,0,0]=2 398 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,2,0,0,0,0|0,1,0]=3 399 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,2,0,0,0,0|0,1,0]=3 400 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,2,0,0,0,0|1,1,0]=4 401 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,2,0,0,0,0|1,1,0]=4 402 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,2,0,0,0,0|0,0,0]=2 403 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,2,0,0,0,0|0,0,0]=2 404 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|2,0,0]=4 407 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.28 CC(=CCCC(=O)N)C WXVL_AK0084SB00030 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.28 CC(=CCCC(=O)N)C WXVL_AK0084SB00030 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK00443SB0150 [0,2,0,0,0,0|2,0,0]=4 411 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK00443SB0150 [0,2,0,0,0,0|2,0,0]=4 412 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK0084SB0374 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK0084SB0374 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,2,0,0,0,0|1,0,0]=3 415 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.28 CC(=O)NCCN(C)C WXVL_AK0058SB0150 [0,2,0,0,0,0|1,0,0]=3 417 B8R0.28 CC(=O)NCCN(C)C WXVL_AK0058SB0150 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.12 CCCC(C)(C)C(=O)N WXVL_AK0084SB0372 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.12 CCCC(C)(C)C(=O)N WXVL_AK0084SB0372 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.12 CSCC(C)(C)C(=O)N WXVL_AK0084SBF473 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.12 CSCC(C)(C)C(=O)N WXVL_AK0084SBF473 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.29 CC(=O)NCC(C)(C)C WXVL_AK00655SB0150 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.29 CC(=O)NCC(C)(C)C WXVL_AK00655SB0150 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.29 CC(=O)NCC(C)(C)F WXVL_AK00660SB0150 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.29 CC(=O)NCC(C)(C)F WXVL_AK00660SB0150 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.29 CC(=O)NCC(C)(C)O WXVL_AK0490SB0150 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.29 CC(=O)NCC(C)(C)O WXVL_AK0490SB0150 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.29 CC(=O)NCC(C)(F)F WXVL_AK0308SB0150 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.29 CC(=O)NCC(C)(F)F WXVL_AK0308SB0150 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.29 CS(=O)(=O)CCC(=O)N WXVL_AK0084SB0009 [0,2,0,0,0,0|1,0,1]=4 435 B8R0.29 CS(=O)(=O)CCC(=O)N WXVL_AK0084SB0009 [0,2,0,0,0,0|1,0,1]=4 436 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [1,0,0,1,0,0|1,0,0]=3 437 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [1,0,0,1,0,0|1,0,0]=3 438 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [0,1,0,1,0,0|0,0,0]=2 441 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [0,1,0,1,0,0|0,0,0]=2 442 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,1,0,1,0,0|1,0,0]=3 448 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.42 CC(=O)NC1(CC1)C WXVL_AK0263SB0150 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.42 CC(=O)NC1(CC1)C WXVL_AK0263SB0150 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.23 C=C1CC(C1)C(=O)N WXVL_AK0084SB0804 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.23 C=C1CC(C1)C(=O)N WXVL_AK0084SB0804 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.23 CC(=O)N1CC(C1)C WXVL_AN0291SB0150 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.23 CC(=O)N1CC(C1)C WXVL_AN0291SB0150 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.23 CC(=O)N1CC(C1)O WXVL_AN0284SB0150 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.23 CC(=O)N1CC(C1)O WXVL_AN0284SB0150 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.23 CN1CC(C1)C(=O)N WXVL_AK0084SB0021 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.23 CN1CC(C1)C(=O)N WXVL_AK0084SB0021 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.23 NC(=O)[C@H]1C[C@@H](C1)O WXVL_AK0084SB3648 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.23 NC(=O)[C@H]1C[C@@H](C1)O WXVL_AK0084SB3648 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.23 NC(=O)[C@H]1C[C@H](C1)O WXVL_AK0084SB0837 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.23 NC(=O)[C@H]1C[C@H](C1)O WXVL_AK0084SB0837 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.54 CC(=O)N(C)C1CC1 WXVL_AN0276SB0150 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.54 CC(=O)N(C)C1CC1 WXVL_AN0276SB0150 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.78 CC1(CCC1)C(=O)N WXVL_AK0084SB0805 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.78 CC1(CCC1)C(=O)N WXVL_AK0084SB0805 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.78 CC1(COC1)C(=O)N WXVL_AK0084SB0214 [0,1,0,1,0,0|1,1,0]=4 489 B8R1.78 CC1(COC1)C(=O)N WXVL_AK0084SB0214 [0,1,0,1,0,0|1,1,0]=4 490 B8R1.78 NC(=O)C1(CCC1)Br WXVL_AK0084SB0465 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.78 NC(=O)C1(CCC1)Br WXVL_AK0084SB0465 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.78 NC(=O)C1(CCC1)F WXVL_AK0084SB0033 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.78 NC(=O)C1(CCC1)F WXVL_AK0084SB0033 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.77 CC1(CC1C(=O)N)C WXVL_AK0084SB0012 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.77 CC1(CC1C(=O)N)C WXVL_AK0084SB0012 [0,1,0,1,0,0|2,0,0]=4