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 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,1,0,0,0,0|2,0,1]=4 3 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,1,0,0,0,0|2,0,1]=4 4 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [0,1,0,0,0,0|0,0,2]=3 5 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [0,1,0,0,0,0|0,0,2]=3 6 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [0,1,0,0,0,0|0,0,2]=3 7 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [0,1,0,0,0,0|0,0,2]=3 8 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,1,0,0,0,0|1,0,2]=4 9 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,1,0,0,0,0|1,0,2]=4 10 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,1,0,0,0,0|1,0,0]=2 16 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,1,0,0,0,0|1,0,0]=2 23 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [0,1,0,0,0,0|1,0,2]=4 26 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,1,0,0,0,0|0,0,2]=4 27 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,1,0,0,0,0|0,0,2]=4 28 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,1,0,0,0,0|0,0,2]=4 29 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,1,0,0,0,0|0,0,2]=4 30 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,1,0,0,0,0|0,0,2]=4 31 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,1,0,0,0,0|0,0,2]=4 32 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,1,0,0,0,0|0,0,2]=4 33 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,1,0,0,0,0|0,0,2]=4 34 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,1,0,0,0,0|0,0,0]=2 35 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,1,0,0,0,0|0,0,0]=2 36 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,1,0,0,0,0|1,0,0]=3 37 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,2,0,0,0,0|0,0,0]=2 49 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,2,0,0,0,0|0,0,0]=2 50 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,2,0,0,0,0|0,0,0]=2 51 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,2,0,0,0,0|0,0,0]=2 52 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,2,0,0,0,0|0,0,0]=2 53 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,2,0,0,0,0|0,0,0]=2 54 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,2,0,0,0,0|1,0,0]=3 59 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,2,0,0,0,0|1,0,0]=3 60 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,2,0,0,0,0|2,0,0]=4 61 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,2,0,0,0,0|0,0,2]=4 63 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,2,0,0,0,0|0,0,2]=4 65 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,2,0,0,0,0|1,0,0]=3 72 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,2,0,0,0,0|1,0,0]=3 81 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,2,0,0,0,0|1,0,0]=3 82 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,2,0,0,0,0|0,0,2]=4 89 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,2,0,0,0,0|0,0,2]=4 90 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,2,0,0,0,0|0,0,0]=2 91 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,2,0,0,0,0|0,0,0]=2 92 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,2,0,0,0,0|0,0,0]=2 93 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,2,0,0,0,0|0,0,0]=2 94 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,2,0,0,0,0|1,0,1]=4 96 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,2,0,0,0,0|0,0,1]=3 103 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,2,0,0,0,0|0,0,1]=3 104 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,2,0,0,0,0|0,0,2]=4 105 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,2,0,0,0,0|0,0,2]=4 106 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,2,0,0,0,0|0,0,1]=3 107 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,2,0,0,0,0|0,0,1]=3 108 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,2,0,0,0,0|0,0,2]=4 109 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,2,0,0,0,0|0,0,2]=4 110 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,2,0,0,0,0|1,0,1]=4 111 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,2,0,0,0,0|1,0,0]=3 113 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,2,0,0,0,0|1,0,0]=3 114 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,2,0,0,0,0|0,0,1]=3 115 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,2,0,0,0,0|0,0,1]=3 116 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,2,0,0,0,0|0,0,0]=2 117 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,2,0,0,0,0|0,0,0]=2 118 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,2,0,0,0,0|0,0,2]=4 119 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,2,0,0,0,0|0,0,2]=4 120 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,2,0,0,0,0|0,0,0]=2 123 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,2,0,0,0,0|0,0,0]=2 124 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,2,0,0,0,0|0,0,0]=2 125 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,2,0,0,0,0|0,0,0]=2 126 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [0,2,0,0,0,0|1,0,1]=4 127 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [0,2,0,0,0,0|1,0,1]=4 128 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [0,2,0,0,0,0|0,0,1]=3 129 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [0,2,0,0,0,0|0,0,1]=3 130 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [0,2,0,0,0,0|1,0,0]=3 135 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [0,2,0,0,0,0|1,0,0]=3 136 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [0,2,0,0,0,0|1,0,0]=3 137 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [0,2,0,0,0,0|1,0,1]=4 143 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.6 CC(C)/C=C/C(=O)N WXVL_AK0084SB0036 [0,2,0,0,0,0|0,0,2]=4 147 B7R0.6 CC(C)/C=C/C(=O)N WXVL_AK0084SB0036 [0,2,0,0,0,0|0,0,2]=4 148 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,2,0,0,0,0|0,0,0]=2 149 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,2,0,0,0,0|0,0,0]=2 150 B7R0.6 CC(C)OCC(=O)N WXVL_AK0084SB0213 [0,2,0,0,0,0|1,0,0]=3 151 B7R0.6 CC(C)OCC(=O)N WXVL_AK0084SB0213 [0,2,0,0,0,0|1,0,0]=3 152 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [0,2,0,0,0,0|1,0,0]=3 153 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [0,2,0,0,0,0|1,0,0]=3 154 B7R0.6 NC(=O)CCC(=O)N WXVL_AK0084SB0358 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.6 NC(=O)CCC(=O)N WXVL_AK0084SB0358 [0,2,0,0,0,0|1,0,1]=4 156 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [0,2,0,0,0,0|1,0,0]=3 157 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [0,2,0,0,0,0|1,0,0]=3 158 B7R0.8 COCCS(=O)(=O)N WXVL_AK0084HU0155 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.8 COCCS(=O)(=O)N WXVL_AK0084HU0155 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.8 NS(=O)(=O)CCCCl WXVL_AK0084HU0162 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.8 NS(=O)(=O)CCCCl WXVL_AK0084HU0162 [0,2,0,0,0,0|2,0,0]=4 162 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,1,0,1,0,0|0,0,0]=2 163 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,1,0,1,0,0|0,0,0]=2 164 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,1,0,1,0,0|1,0,0]=3 166 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,1,0,1,0,0|1,0,0]=3 167 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,1,0,1,0,0|0,0,0]=2 169 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,1,0,1,0,0|0,0,0]=2 170 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [0,1,0,1,0,0|1,0,0]=3 171 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [0,1,0,1,0,0|1,0,0]=3 172 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [0,1,0,1,0,0|0,0,0]=2 173 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [0,1,0,1,0,0|0,0,0]=2