0 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.5 CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0150 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.5 CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0150 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.6 C#CC(=O)NCCCO WXVL_AK0073SB0338 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.6 C#CC(=O)NCCCO WXVL_AK0073SB0338 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,1,0,0,0,0|0,0,2]=3 63 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,1,0,0,0,0|0,0,2]=3 64 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|0,0,2]=3 69 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|0,0,2]=3 70 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|1,0,2]=4 71 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|0,0,2]=3 75 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|0,0,2]=3 76 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|1,0,0]=2 85 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.7 C#CCCCNC(=O)C WXVL_AK00218SB0150 [0,1,0,0,0,0|0,0,2]=3 101 B8R0.7 C#CCCCNC(=O)C WXVL_AK00218SB0150 [0,1,0,0,0,0|0,0,2]=3 102 B8R0.7 C#CCOCCC(=O)N WXVL_AK0084SBD927 [0,1,0,0,0,0|1,0,2]=4 103 B8R0.7 C#CCOCCC(=O)N WXVL_AK0084SBD927 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,0,0,0,0|1,0,0]=2 105 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,1,0,0,0,0|1,0,0]=2 106 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,0,0,0,0|0,0,0]=1 107 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,0,0,0,0|0,0,0]=1 108 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,1,0,0,0,0|2,0,0]=3 114 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,1,0,0,0,0|1,0,0]=2 115 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,1,0,0,0,0|1,0,0]=2 116 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,0,0,0,0|1,0,0]=2 117 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,0,0,0,0|1,0,0]=2 118 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|1,0,0]=2 119 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|1,0,0]=2 120 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|1,0,1]=3 125 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|1,0,1]=3 126 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,1,0,0,0,0|2,0,0]=3 129 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,1,0,0,0,0|2,0,0]=3 130 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|1,0,1]=3 139 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|1,0,1]=3 140 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [0,1,0,0,0,0|2,0,0]=3 154 B8R0.21 CCOCCS(=O)(=O)N WXVL_AK0084HU0315 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.21 CCOCCS(=O)(=O)N WXVL_AK0084HU0315 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.21 NS(=O)(=O)CCCCCl WXVL_AK0084HU0456 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.21 NS(=O)(=O)CCCCCl WXVL_AK0084HU0456 [0,1,0,0,0,0|3,0,0]=4 158 B8R0.28 CC(=CCCC(=O)N)C WXVL_AK0084SB00030 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.28 CC(=CCCC(=O)N)C WXVL_AK0084SB00030 [0,1,0,0,0,0|1,0,2]=4 160 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK00443SB0150 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK00443SB0150 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK0084SB0374 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK0084SB0374 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,1,0,0,0,0|1,0,0]=2 165 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,1,0,0,0,0|1,0,0]=2 166 B8R0.28 CC(=O)NCCN(C)C WXVL_AK0058SB0150 [0,1,0,0,0,0|2,0,0]=3 167 B8R0.28 CC(=O)NCCN(C)C WXVL_AK0058SB0150 [0,1,0,0,0,0|2,0,0]=3 168 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,1,0,0,0,0|1,0,0]=2 169 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,1,0,0,0,0|1,0,0]=2 170 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,0,0,1,0,0|1,0,0]=2 175 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,0,0,1,0,0|1,0,0]=2 176 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [0,0,0,1,0,0|1,0,2]=4 189 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [0,0,0,1,0,0|1,0,2]=4 190 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,0,0,1,0,0|1,0,0]=2 191 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,0,0,1,0,0|1,0,0]=2 192 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 193 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 194 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 195 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 196 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 200 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [1,1,0,0,0,0|1,0,0]=3 206 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [1,1,0,0,0,0|1,0,0]=3 207 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [1,1,0,0,0,0|1,0,0]=3 208 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [1,1,0,0,0,0|1,0,0]=3 210 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [1,1,0,0,0,0|1,0,0]=3 211 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [1,1,0,0,0,0|1,0,0]=3 212 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [1,1,0,0,0,0|0,0,2]=4 215 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [1,1,0,0,0,0|0,0,2]=4 216 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [1,1,0,0,0,0|0,0,2]=4 217 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [1,1,0,0,0,0|0,0,2]=4 218 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,1,0,0,0,0|2,0,0]=4 220 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|1,0,0]=3 221 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,1,0,0,0,0|1,0,0]=3 224 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,1,0,0,0,0|1,0,0]=3 225 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,1,0,0,0,0|1,0,0]=3 226 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [1,1,0,0,0,0|1,0,0]=3 230 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|1,0,0]=3 250 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [1,1,0,0,0,0|2,0,0]=4 253 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [1,1,0,0,0,0|2,0,0]=4 254 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|1,0,0]=3 256 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.6 CC(C)OCC(=O)N WXVL_AK0084SB0213 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.6 CC(C)OCC(=O)N WXVL_AK0084SB0213 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [1,1,0,0,0,0|2,0,0]=4 264 B9R0.14 CCC[C@@H](CO)NC(=O)C WXVL_AK2551SB0150 [0,2,0,0,0,0|1,0,0]=3 265 B9R0.14 CCC[C@@H](CO)NC(=O)C WXVL_AK2551SB0150 [0,2,0,0,0,0|1,0,0]=3 266 B9R0.34 C#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB0338 [0,2,0,0,0,0|1,0,1]=4 267 B9R0.34 C#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB0338 [0,2,0,0,0,0|1,0,1]=4 268 B9R0.34 CC(CCO)NC(=O)CO WXVL_AK1288SB2706 [0,2,0,0,0,0|2,0,0]=4 269 B9R0.34 CC(CCO)NC(=O)CO WXVL_AK1288SB2706 [0,2,0,0,0,0|2,0,0]=4 270 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [0,2,0,0,0,0|2,0,0]=4 271 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [0,2,0,0,0,0|2,0,0]=4 273 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [0,2,0,0,0,0|2,0,0]=4 274 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [0,2,0,0,0,0|2,0,0]=4 275 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [0,2,0,0,0,0|2,0,0]=4 276 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|1,0,0]=3 277 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|1,0,0]=3 278 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,0]=3 279 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,0]=3 280 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 281 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 282 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|1,0,1]=4 283 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|1,0,1]=4 284 B9R0.34 COC[C@@H](C)NC(=O)CO WXVL_AK00613SB2706 [0,2,0,0,0,0|2,0,0]=4 285 B9R0.34 COC[C@@H](C)NC(=O)CO WXVL_AK00613SB2706 [0,2,0,0,0,0|2,0,0]=4 286 B9R0.34 COC[C@H](C)NC(=O)CO WXVL_AK0137SB2706 [0,2,0,0,0,0|2,0,0]=4 287 B9R0.34 COC[C@H](C)NC(=O)CO WXVL_AK0137SB2706 [0,2,0,0,0,0|2,0,0]=4 288 B9R0.53 CC(=O)NC(C)CN(C)C WXVL_AK0938SB0150 [0,2,0,0,0,0|2,0,0]=4 289 B9R0.53 CC(=O)NC(C)CN(C)C WXVL_AK0938SB0150 [0,2,0,0,0,0|2,0,0]=4 290 B9R0.58 COCC(C)(C)NC(=O)C WXVL_AK1295SB0150 [0,2,0,0,0,0|2,0,0]=4 291 B9R0.58 COCC(C)(C)NC(=O)C WXVL_AK1295SB0150 [0,2,0,0,0,0|2,0,0]=4 292 B9R0.1 C#CC(=O)NCCC(C)C WXVL_AK0068SB0338 [0,2,0,0,0,0|1,0,1]=4 293 B9R0.1 C#CC(=O)NCCC(C)C WXVL_AK0068SB0338 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.1 CC(=O)NCCC(C)CO WXVL_AK4143SB0150 [0,2,0,0,0,0|1,0,0]=3 295 B9R0.1 CC(=O)NCCC(C)CO WXVL_AK4143SB0150 [0,2,0,0,0,0|1,0,0]=3 296 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,0]=3 297 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,0]=3 298 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,2,0,0,0,0|1,0,1]=4 299 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|1,0,0]=3 301 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|1,0,0]=3 302 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [0,2,0,0,0,0|2,0,0]=4 303 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [0,2,0,0,0,0|2,0,0]=4 304 B9R0.1 CN(C)CCNC(=O)CO WXVL_AK0058SB2706 [0,2,0,0,0,0|2,0,0]=4 305 B9R0.1 CN(C)CCNC(=O)CO WXVL_AK0058SB2706 [0,2,0,0,0,0|2,0,0]=4 306 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|0,0,2]=4 307 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|0,0,2]=4 308 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|0,0,0]=2 309 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|0,0,0]=2 310 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [0,2,0,0,0,0|1,0,0]=3 311 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [0,2,0,0,0,0|1,0,1]=4 313 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [0,2,0,0,0,0|1,0,1]=4 314 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.5 C#CCC(=O)NCCCO WXVL_AK0073SB3070 [0,2,0,0,0,0|2,0,0]=4 317 B9R0.5 C#CCC(=O)NCCCO WXVL_AK0073SB3070 [0,2,0,0,0,0|2,0,0]=4 318 B9R0.5 C#CCC(=O)NCCSC WXVL_AK00440SB3070 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.5 C#CCC(=O)NCCSC WXVL_AK00440SB3070 [0,2,0,0,0,0|2,0,0]=4 320 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,2,0,0,0,0|0,0,2]=4 321 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,2,0,0,0,0|0,0,2]=4 322 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|1,0,0]=3 323 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|1,0,0]=3 324 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,2,0,0,0,0|2,0,0]=4 325 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,2,0,0,0,0|2,0,0]=4 326 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|2,0,0]=4 328 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|1,0,0]=3 329 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.5 C=CCC(=O)NCCCO WXVL_AK0073SB2732 [0,2,0,0,0,0|2,0,0]=4 331 B9R0.5 C=CCC(=O)NCCCO WXVL_AK0073SB2732 [0,2,0,0,0,0|2,0,0]=4 332 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,2,0,0,0,0|2,0,0]=4 333 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,2,0,0,0,0|2,0,0]=4 334 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|0,0,2]=4 335 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|0,0,2]=4 336 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|1,0,0]=3 337 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,2,0,0,0,0|2,0,0]=4 339 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,2,0,0,0,0|2,0,0]=4 340 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|2,0,0]=4 341 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|2,0,0]=4 342 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|0,0,2]=4 343 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|0,0,2]=4 344 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|2,0,0]=4 345 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|2,0,0]=4 346 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|2,0,0]=4 347 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|2,0,0]=4 348 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,2,0,0,0,0|1,0,0]=3 349 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,0]=3 351 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,0]=3 352 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,0]=3 353 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,0]=3 354 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|1,0,0]=3 355 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|1,0,0]=3 356 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|1,0,0]=3 357 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|1,0,0]=3 358 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|1,0,0]=3 359 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|1,0,0]=3 360 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,2,0,0,0,0|2,0,0]=4 361 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,2,0,0,0,0|2,0,0]=4 362 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|2,0,0]=4 363 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|2,0,0]=4 366 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|2,0,0]=4 367 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|2,0,0]=4 368 B9R0.5 CSCCNC(=O)CC#N WXVL_AK00440SB0057 [0,2,0,0,0,0|2,0,0]=4 369 B9R0.5 CSCCNC(=O)CC#N WXVL_AK00440SB0057 [0,2,0,0,0,0|2,0,0]=4 370 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|2,0,0]=4 371 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|2,0,0]=4 372 B9R0.5 N#CCC(=O)NCCCO WXVL_AK0073SB0057 [0,2,0,0,0,0|2,0,0]=4 373 B9R0.5 N#CCC(=O)NCCCO WXVL_AK0073SB0057 [0,2,0,0,0,0|2,0,0]=4 374 B9R0.8 CCC(=O)N(C)CCOC WXVL_AN0085SB0064 [0,2,0,0,0,0|2,0,0]=4 375 B9R0.8 CCC(=O)N(C)CCOC WXVL_AN0085SB0064 [0,2,0,0,0,0|2,0,0]=4 376 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|0,0,0]=2 377 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|0,0,0]=2 378 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|1,0,1]=4 379 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|1,0,1]=4 380 B9R0.8 COCCN(C)C(=O)CO WXVL_AN0085SB2706 [0,2,0,0,0,0|2,0,0]=4 381 B9R0.8 COCCN(C)C(=O)CO WXVL_AN0085SB2706 [0,2,0,0,0,0|2,0,0]=4 382 B9R0.20 CCCCNS(=O)(=O)CC WXVL_AK00588HU0028 [0,2,0,0,0,0|2,0,0]=4 383 B9R0.20 CCCCNS(=O)(=O)CC WXVL_AK00588HU0028 [0,2,0,0,0,0|2,0,0]=4 384 B9R0.20 CCOCCS(=O)(=O)NC WXVL_AK00442HU0315 [0,2,0,0,0,0|2,0,0]=4 385 B9R0.20 CCOCCS(=O)(=O)NC WXVL_AK00442HU0315 [0,2,0,0,0,0|2,0,0]=4 386 B9R0.20 CNS(=O)(=O)CCCCCl WXVL_AK00442HU0456 [0,2,0,0,0,0|2,0,0]=4 387 B9R0.20 CNS(=O)(=O)CCCCCl WXVL_AK00442HU0456 [0,2,0,0,0,0|2,0,0]=4 388 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 389 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 390 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [0,2,0,0,0,0|2,0,0]=4 391 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [0,2,0,0,0,0|2,0,0]=4 393 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [0,2,0,0,0,0|2,0,0]=4 394 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [0,2,0,0,0,0|2,0,0]=4 396 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [0,2,0,0,0,0|1,0,1]=4 397 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [0,2,0,0,0,0|1,0,1]=4 398 B9R0.24 CO[C@H](C)CNC(=O)CO WXVL_AK00704SB2706 [0,2,0,0,0,0|2,0,0]=4 399 B9R0.24 CO[C@H](C)CNC(=O)CO WXVL_AK00704SB2706 [0,2,0,0,0,0|2,0,0]=4 400 B9R0.24 O=C(CO)NC[C@@H](F)CO WXVL_AK00590SB2706 [0,2,0,0,0,0|2,0,0]=4 401 B9R0.24 O=C(CO)NC[C@@H](F)CO WXVL_AK00590SB2706 [0,2,0,0,0,0|2,0,0]=4 402 B9R0.24 O=C(CO)NC[C@H](O)CO WXVL_AK00483SB2706 [0,2,0,0,0,0|2,0,0]=4 403 B9R0.24 O=C(CO)NC[C@H](O)CO WXVL_AK00483SB2706 [0,2,0,0,0,0|2,0,0]=4 404 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [0,2,0,0,0,0|0,0,1]=3 405 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [0,2,0,0,0,0|0,0,1]=3 406 B9R0.46 C#CC(=O)NCCCCO WXVL_AK0075SB0338 [0,2,0,0,0,0|1,0,1]=4 407 B9R0.46 C#CC(=O)NCCCCO WXVL_AK0075SB0338 [0,2,0,0,0,0|1,0,1]=4 408 B9R0.46 C#CC(=O)NCCCOC WXVL_AK00637SB0338 [0,2,0,0,0,0|1,0,1]=4 409 B9R0.46 C#CC(=O)NCCCOC WXVL_AK00637SB0338 [0,2,0,0,0,0|1,0,1]=4 410 B9R0.46 C#CC(=O)NCCCSC WXVL_AK0965SB0338 [0,2,0,0,0,0|1,0,1]=4 411 B9R0.46 C#CC(=O)NCCCSC WXVL_AK0965SB0338 [0,2,0,0,0,0|1,0,1]=4 412 B9R0.46 C#CC(=O)NCCSCC WXVL_AK00494SB0338 [0,2,0,0,0,0|1,0,1]=4 413 B9R0.46 C#CC(=O)NCCSCC WXVL_AK00494SB0338 [0,2,0,0,0,0|1,0,1]=4 414 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [0,2,0,0,0,0|0,0,2]=4 415 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [0,2,0,0,0,0|0,0,2]=4 416 B9R0.46 C#CCCCNC(=O)CO WXVL_AK00218SB2706 [0,2,0,0,0,0|0,0,2]=4 417 B9R0.46 C#CCCCNC(=O)CO WXVL_AK00218SB2706 [0,2,0,0,0,0|0,0,2]=4 418 B9R0.46 C#CCOCCC(=O)NC WXVL_AK00442SBD927 [0,2,0,0,0,0|0,0,2]=4 419 B9R0.46 C#CCOCCC(=O)NC WXVL_AK00442SBD927 [0,2,0,0,0,0|0,0,2]=4 420 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|1,0,0]=3 421 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|1,0,0]=3 422 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,0,0]=3 423 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,0,0]=3 424 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|1,0,0]=3 425 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|1,0,0]=3 426 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|0,0,0]=2 427 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|0,0,0]=2 428 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|0,0,0]=2 429 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|0,0,0]=2 430 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|1,0,0]=3 431 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|1,0,0]=3 432 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,0]=3 433 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,0]=3 434 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|0,0,0]=2 435 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|0,0,0]=2 436 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|0,0,0]=2 437 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|0,0,0]=2 438 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,0]=3 440 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,0]=3 441 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,0]=3 442 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,0]=3 443 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,0]=3 444 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,0]=3 445 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,0]=3 446 B9R0.47 C#CCCCC(=O)N(C)C WXVL_AN0032SB2709 [0,2,0,0,0,0|0,0,2]=4 447 B9R0.47 C#CCCCC(=O)N(C)C WXVL_AN0032SB2709 [0,2,0,0,0,0|0,0,2]=4 448 B9R0.47 C=C(F)C(=O)NCCCC WXVL_AK00588SB1376 [0,2,0,0,0,0|1,0,1]=4 449 B9R0.47 C=C(F)C(=O)NCCCC WXVL_AK00588SB1376 [0,2,0,0,0,0|1,0,1]=4 450 B9R0.47 C=CCCCC(=O)N(C)C WXVL_AN0032SB2920 [0,2,0,0,0,0|0,0,2]=4 451 B9R0.47 C=CCCCC(=O)N(C)C WXVL_AN0032SB2920 [0,2,0,0,0,0|0,0,2]=4 452 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|1,0,1]=4 453 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|1,0,1]=4 454 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [0,2,0,0,0,0|2,0,0]=4 455 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [0,2,0,0,0,0|2,0,0]=4 456 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [0,2,0,0,0,0|2,0,0]=4 457 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [0,2,0,0,0,0|2,0,0]=4 458 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,2,0,0,0,0|0,0,2]=4 459 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,2,0,0,0,0|0,0,2]=4 460 B9R0.47 CCCCCC(C)C(=O)N WXVL_AK0084SB0394 [0,2,0,0,0,0|0,0,1]=3 461 B9R0.47 CCCCCC(C)C(=O)N WXVL_AK0084SB0394 [0,2,0,0,0,0|0,0,1]=3 462 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|0,0,1]=3 463 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|0,0,1]=3 464 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,2,0,0,0,0|1,0,1]=4 465 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,2,0,0,0,0|1,0,1]=4 466 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|1,0,0]=3 467 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|1,0,0]=3 468 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|1,0,0]=3 469 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|1,0,0]=3 470 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [0,2,0,0,0,0|1,0,0]=3 471 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [0,2,0,0,0,0|1,0,0]=3 472 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,0]=3 473 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,0]=3 474 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [0,2,0,0,0,0|1,0,0]=3 475 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [0,2,0,0,0,0|1,0,0]=3 476 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [0,2,0,0,0,0|1,0,0]=3 477 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [0,2,0,0,0,0|1,0,0]=3 478 B9R0.47 CN(C)C(=O)NCCCCl WXVL_AN0032YV0130 [0,2,0,0,0,0|2,0,0]=4 479 B9R0.47 CN(C)C(=O)NCCCCl WXVL_AN0032YV0130 [0,2,0,0,0,0|2,0,0]=4 480 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|1,0,1]=4 481 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|1,0,1]=4 482 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [0,2,0,0,0,0|2,0,0]=4 483 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [0,2,0,0,0,0|2,0,0]=4 485 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [0,2,0,0,0,0|2,0,0]=4 486 B9R0.47 CSCCNC(=O)C(F)F WXVL_AK00440SB0079 [0,2,0,0,0,0|2,0,0]=4 487 B9R0.47 CSCCNC(=O)C(F)F WXVL_AK00440SB0079 [0,2,0,0,0,0|2,0,0]=4 488 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [0,2,0,0,0,0|2,0,0]=4 489 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [0,2,0,0,0,0|2,0,0]=4 490 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [0,2,0,0,0,0|2,0,0]=4 491 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [0,2,0,0,0,0|2,0,0]=4 492 B9R0.47 O=C(NCCCO)C(F)F WXVL_AK0073SB0079 [0,2,0,0,0,0|2,0,0]=4 493 B9R0.47 O=C(NCCCO)C(F)F WXVL_AK0073SB0079 [0,2,0,0,0,0|2,0,0]=4 494 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [0,2,0,0,0,0|0,0,1]=3 495 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [0,2,0,0,0,0|0,0,1]=3 496 B9R0.2 C#CCOCCNC(=O)C WXVL_AK00687SB0150 [0,2,0,0,0,0|0,0,2]=4 497 B9R0.2 C#CCOCCNC(=O)C WXVL_AK00687SB0150 [0,2,0,0,0,0|0,0,2]=4 498 B9R0.2 C=COCCCNC(=O)C WXVL_AK7221SB0150 [0,2,0,0,0,0|0,0,2]=4 499 B9R0.2 C=COCCCNC(=O)C WXVL_AK7221SB0150 [0,2,0,0,0,0|0,0,2]=4 500 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,2,0,0,0,0|0,0,0]=2 501 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,2,0,0,0,0|0,0,0]=2 502 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,2,0,0,0,0|1,0,0]=3 503 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,2,0,0,0,0|1,0,0]=3 504 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,2,0,0,0,0|1,0,0]=3 505 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,2,0,0,0,0|1,0,0]=3 506 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,2,0,0,0,0|1,0,0]=3 507 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,2,0,0,0,0|1,0,0]=3 508 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,2,0,0,0,0|0,0,0]=2 509 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,2,0,0,0,0|0,0,0]=2 510 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [0,2,0,0,0,0|0,0,0]=2 511 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [0,2,0,0,0,0|0,0,0]=2 512 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [0,2,0,0,0,0|1,0,0]=3 513 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [0,2,0,0,0,0|1,0,0]=3 514 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,1]=4 515 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|1,0,1]=4 517 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|1,0,1]=4 518 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|0,0,1]=3 519 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|0,0,1]=3 520 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,2,0,0,0,0|1,0,1]=4 521 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,2,0,0,0,0|1,0,1]=4 522 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,2,0,0,0,0|1,0,1]=4 523 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,2,0,0,0,0|1,0,1]=4 524 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,2,0,0,0,0|1,0,1]=4 525 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,2,0,0,0,0|1,0,1]=4 526 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,2,0,0,0,0|1,0,1]=4 527 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,2,0,0,0,0|1,0,1]=4 528 B9R0.55 CC(=O)NCCNC(=O)C WXVL_AK0057SB0150 [0,2,0,0,0,0|1,0,1]=4 529 B9R0.55 CC(=O)NCCNC(=O)C WXVL_AK0057SB0150 [0,2,0,0,0,0|1,0,1]=4 530 B9R0.55 CC(=O)NCCOC(C)C WXVL_AK0128SB0150 [0,2,0,0,0,0|1,0,0]=3 531 B9R0.55 CC(=O)NCCOC(C)C WXVL_AK0128SB0150 [0,2,0,0,0,0|1,0,0]=3 532 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|1,0,1]=4 533 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|1,0,1]=4 534 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|1,0,1]=4 535 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|1,0,1]=4 536 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|1,0,1]=4 537 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|1,0,1]=4 538 B9R0.7 CC(=O)CCC(=O)N(C)C WXVL_AN0032SB0072 [0,2,0,0,0,0|1,0,1]=4 539 B9R0.7 CC(=O)CCC(=O)N(C)C WXVL_AN0032SB0072 [0,2,0,0,0,0|1,0,1]=4 540 B9R0.7 CC(=O)N(C)CCN(C)C WXVL_AN0052SB0150 [0,2,0,0,0,0|2,0,0]=4 541 B9R0.7 CC(=O)N(C)CCN(C)C WXVL_AN0052SB0150 [0,2,0,0,0,0|2,0,0]=4 542 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|1,0,1]=4 543 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|1,0,1]=4 544 B9R0.64 CC(=O)NCC(C)(C)CO WXVL_AK0104SB0150 [0,2,0,0,0,0|2,0,0]=4 545 B9R0.64 CC(=O)NCC(C)(C)CO WXVL_AK0104SB0150 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.56 CC(=O)NCCC(C)(C)O WXVL_AK1558SB0150 [0,2,0,0,0,0|1,0,0]=3 547 B9R0.56 CC(=O)NCCC(C)(C)O WXVL_AK1558SB0150 [0,2,0,0,0,0|1,0,0]=3 548 B9R0.56 CC(=O)NCCC(F)(F)F WXVL_AK0145SB0150 [0,2,0,0,0,0|2,0,0]=4 549 B9R0.56 CC(=O)NCCC(F)(F)F WXVL_AK0145SB0150 [0,2,0,0,0,0|2,0,0]=4 550 B9R0.56 CC(=O)NCCS(=O)(=O)C WXVL_AK0333SB0150 [0,2,0,0,0,0|2,0,0]=4 551 B9R0.56 CC(=O)NCCS(=O)(=O)C WXVL_AK0333SB0150 [0,2,0,0,0,0|2,0,0]=4 552 B9R0.56 NC(=O)CCCC(F)(F)F WXVL_AK0084SB1398 [0,2,0,0,0,0|2,0,0]=4 553 B9R0.56 NC(=O)CCCC(F)(F)F WXVL_AK0084SB1398 [0,2,0,0,0,0|2,0,0]=4 554 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|1,0,0]=3 555 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|1,0,0]=3 556 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [1,0,0,1,0,0|2,0,0]=4 558 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [1,0,0,1,0,0|2,0,0]=4 559 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|1,0,0]=3 561 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|1,0,0]=3 562 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|1,0,0]=3 563 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|1,0,0]=3 564 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|1,0,0]=3 565 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|1,0,0]=3 566 B9R1.13 NC(=O)CC1CCCC1 WXVL_AK0084SB0044 [0,1,0,1,0,0|1,0,0]=3 567 B9R1.13 NC(=O)CC1CCCC1 WXVL_AK0084SB0044 [0,1,0,1,0,0|1,0,0]=3 568 B9R1.13 NC(=O)CN1CCCC1 WXVL_AK0084SB0201 [0,1,0,1,0,0|1,0,0]=3 569 B9R1.13 NC(=O)CN1CCCC1 WXVL_AK0084SB0201 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.41 CC(=O)N1CCC[C@H]1C WXVL_AN00593SB0150 [0,1,0,1,0,0|0,0,0]=2 571 B9R1.41 CC1CCCC1C(=O)N WXVL_AK0084SB0904 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.41 CC1CCCC1C(=O)N WXVL_AK0084SB0904 [0,1,0,1,0,0|1,0,0]=3 573 B9R1.41 CN1CCC[C@H]1C(=O)N WXVL_AK0084SB1197 [0,1,0,1,0,0|1,0,0]=3 574 B9R1.41 CN1CCC[C@H]1C(=O)N WXVL_AK0084SB1197 [0,1,0,1,0,0|1,0,0]=3 575 B9R1.53 CC(=O)NC1CC(C1)C WXVL_AK0309SB0150 [0,1,0,1,0,0|1,0,0]=3 576 B9R1.53 CC(=O)NC1CC(C1)C WXVL_AK0309SB0150 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.53 CC(=O)NC1CC(C1)F WXVL_AK0307SB0150 [0,1,0,1,0,0|1,0,0]=3 578 B9R1.53 CC(=O)NC1CC(C1)F WXVL_AK0307SB0150 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.53 CC(=O)NC1CC(C1)O WXVL_AK0306SB0150 [0,1,0,1,0,0|1,0,0]=3 580 B9R1.53 CC(=O)NC1CC(C1)O WXVL_AK0306SB0150 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.53 CC(=O)NC1CN(C1)C WXVL_AK1377SB0150 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.53 CC(=O)NC1CN(C1)C WXVL_AK1377SB0150 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0150 [0,1,0,1,0,0|1,0,0]=3 584 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0150 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.137 CC(=O)NC(C)C1CC1 WXVL_AK00200SB0150 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.137 CC(=O)NC(C)C1CC1 WXVL_AK00200SB0150 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.137 CC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0150 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.137 CC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0150 [0,1,0,1,0,0|1,0,0]=3 589 B9R1.171 NC(=O)CC1(CCC1)O WXVL_AK0084SB0026 [0,1,0,1,0,0|1,0,0]=3 590 B9R1.171 NC(=O)CC1(CCC1)O WXVL_AK0084SB0026 [0,1,0,1,0,0|1,0,0]=3 591 B9R1.11 C#CC(=O)N1CCCC1 WXVL_AN0008SB0338 [0,1,0,1,0,0|1,0,1]=4 592 B9R1.11 C#CC(=O)N1CCCC1 WXVL_AN0008SB0338 [0,1,0,1,0,0|1,0,1]=4 593 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|1,0,0]=3 594 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|1,0,0]=3 595 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|0,0,0]=2 596 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|0,0,0]=2 597 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,0]=3 598 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,0]=3 602 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,0]=3 603 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|0,0,0]=2 610 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|0,0,0]=2 611 B9R1.79 O=C(CO)NC1CNC1 WXVL_AK1291SB2706 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.79 O=C(CO)NC1CNC1 WXVL_AK1291SB2706 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.79 O=C(CO)NC1CSC1 WXVL_AK2089SB2706 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.79 O=C(CO)NC1CSC1 WXVL_AK2089SB2706 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|0,0,2]=4 616 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|0,0,2]=4 617 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|0,0,0]=2 618 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|0,0,0]=2 619 B9R1.6 CC(=O)N1CCOCC1 WXVL_AN00478SB0150 [0,1,0,1,0,0|1,0,0]=3 620 B9R1.6 CC(=O)N1CCOCC1 WXVL_AN00478SB0150 [0,1,0,1,0,0|1,0,0]=3 621 B9R1.6 CC(=O)N1CCSCC1 WXVL_AN0896SB0150 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.6 NC(=O)C1CC=CCC1 WXVL_AK0084SB3640 [0,1,0,1,0,0|1,0,1]=4 623 B9R1.6 NC(=O)C1CC=CCC1 WXVL_AK0084SB3640 [0,1,0,1,0,0|1,0,1]=4 624 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,1,0,1,0,0|1,0,0]=3 625 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,1,0,1,0,0|1,0,0]=3 626 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,1,0,1,0,0|1,0,0]=3 627 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,1,0,1,0,0|1,0,0]=3 628 B9R1.6 NC(=O)C1CCOCC1 WXVL_AK0084SB0149 [0,1,0,1,0,0|1,0,0]=3 629 B9R1.6 NC(=O)C1CCOCC1 WXVL_AK0084SB0149 [0,1,0,1,0,0|1,0,0]=3 630 B9R1.6 NC(=O)C1CCSCC1 WXVL_AK0084SB0752 [0,1,0,1,0,0|1,0,0]=3 631 B9R1.6 NC(=O)C1CCSCC1 WXVL_AK0084SB0752 [0,1,0,1,0,0|1,0,0]=3 632 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,1,0,1,0,0|1,0,0]=3 633 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.84 CC(=O)NCC1CCC1 WXVL_AK00492SB0150 [0,1,0,1,0,0|0,0,0]=2 635 B9R1.84 CC(=O)NCC1CCC1 WXVL_AK00492SB0150 [0,1,0,1,0,0|0,0,0]=2 636 B9R1.84 CC(=O)NCC1CCO1 WXVL_AK1433SB0150 [0,1,0,1,0,0|1,0,0]=3 637 B9R1.84 CC(=O)NCC1CCO1 WXVL_AK1433SB0150 [0,1,0,1,0,0|1,0,0]=3 638 B9R1.84 CC(=O)NCC1COC1 WXVL_AK0186SB0150 [0,1,0,1,0,0|1,0,0]=3 639 B9R1.84 CC(=O)NCC1COC1 WXVL_AK0186SB0150 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.84 NC(=O)CCC1CCC1 WXVL_AK0084SB8784 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.84 NC(=O)CCC1CCC1 WXVL_AK0084SB8784 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.85 CC(=O)NCCC1CC1 WXVL_AK00594SB0150 [0,1,0,1,0,0|0,0,0]=2 643 B9R1.85 CC(=O)NCCC1CC1 WXVL_AK00594SB0150 [0,1,0,1,0,0|0,0,0]=2 644 B9R1.96 CC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0150 [0,1,0,1,0,0|1,0,0]=3 645 B9R1.96 CC(=O)N1CC[C@H]1CO WXVL_AN3414SB0150 [0,1,0,1,0,0|1,0,0]=3 646 B9R1.96 CC(=O)N1CC[C@H]1CO WXVL_AN3414SB0150 [0,1,0,1,0,0|1,0,0]=3 647 B9R1.35 CC(=O)N1CCC(C1)Br WXVL_AN00715SB0150 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.35 CC(=O)N1CCC(C1)C WXVL_AN0556SB0150 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.35 CC(=O)N1CCC(C1)C WXVL_AN0556SB0150 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.35 CC(=O)N1CCC(C1)F WXVL_AN00338SB0150 [0,1,0,1,0,0|1,0,0]=3 651 B9R1.35 CC(=O)N1CCC(C1)F WXVL_AN00338SB0150 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.35 CC(=O)N1CCC(C1)O WXVL_AN0158SB0150 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.35 CC(=O)N1CCC(C1)O WXVL_AN0158SB0150 [0,1,0,1,0,0|1,0,0]=3 654 B9R1.35 CC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0150 [0,1,0,1,0,0|1,0,0]=3 655 B9R1.35 CC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0150 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.35 CC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0150 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.35 CC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0150 [0,1,0,1,0,0|1,0,0]=3 658 B9R1.35 CC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0150 [0,1,0,1,0,0|1,0,0]=3 659 B9R1.35 CC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0150 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.35 CC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0150 [0,1,0,1,0,0|1,0,0]=3 661 B9R1.35 CC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0150 [0,1,0,1,0,0|1,0,0]=3 662 B9R1.35 CC(=O)N1CC[C@H](C1)O WXVL_AN00543SB0150 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.35 CN1CCC(C1)C(=O)N WXVL_AK0084SB1540 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.35 CN1CCC(C1)C(=O)N WXVL_AK0084SB1540 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)N WXVL_AK0084SB0853 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)N WXVL_AK0084SB0853 [0,1,0,1,0,0|1,0,0]=3 667 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK0084SB00007 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK0084SB00007 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|1,0,1]=4 670 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|1,0,1]=4 671 B9R1.163 CC1(CCCC1)C(=O)N WXVL_AK0084SB0209 [0,1,0,1,0,0|1,0,0]=3 672 B9R1.163 CC1(CCCC1)C(=O)N WXVL_AK0084SB0209 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.163 C[C@@]1(CCCN1)C(=O)N WXVL_AK0084SB00033 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.163 C[C@@]1(CCCN1)C(=O)N WXVL_AK0084SB00033 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.147 CC(=O)NCC1(CC1)C WXVL_AK00811SB0150 [0,1,0,1,0,0|1,0,0]=3 676 B9R1.147 CC(=O)NCC1(CC1)C WXVL_AK00811SB0150 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.147 CC(=O)NCC1(CC1)O WXVL_AK0301SB0150 [0,1,0,1,0,0|1,0,0]=3 678 B9R1.147 CC(=O)NCC1(CC1)O WXVL_AK0301SB0150 [0,1,0,1,0,0|1,0,0]=3 679 B9R1.114 NS(=O)(=O)CC1CCC1 WXVL_AK0084HU0422 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.114 NS(=O)(=O)CC1CCC1 WXVL_AK0084HU0422 [0,1,0,1,0,0|2,0,0]=4 681 B9R1.170 CC(=O)NC1CC1(F)F WXVL_AK0397SB0150 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.170 CC(=O)NC1CC1(F)F WXVL_AK0397SB0150 [0,1,0,1,0,0|2,0,0]=4