0 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,0,0,0,0|1,1,0]=2 19 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,0,0,0,0|1,1,0]=2 20 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,0,0,0,0|1,1,0]=3 35 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,0,0,0,0|1,1,0]=3 36 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,0,0,0,0|1,1,0]=3 45 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,0,0,0,0|1,1,0]=3 46 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,0,0,0,0|1,1,0]=3 79 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,0,0,0,0|1,1,0]=3 80 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,0,0,0,0|1,1,0]=3 85 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,0,0,0,0|1,1,0]=3 86 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.5 C#CCC(=O)N(C)C WXVL_AN0032SB3070 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.5 C#CCC(=O)N(C)C WXVL_AN0032SB3070 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.5 C/C=C/C(=O)N(C)C WXVL_AN0032SB0340 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.5 C/C=C/C(=O)N(C)C WXVL_AN0032SB0340 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.5 C=CCC(=O)N(C)C WXVL_AN0032SB2732 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.5 C=CCC(=O)N(C)C WXVL_AN0032SB2732 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.5 CC#CC(=O)N(C)C WXVL_AN0032SB1240 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.5 CC#CC(=O)N(C)C WXVL_AN0032SB1240 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.5 CN(C)C(=O)CC#N WXVL_AN0032SB0057 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.5 CN(C)C(=O)CC#N WXVL_AN0032SB0057 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [0,1,0,0,0,0|1,1,0]=3 117 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [0,1,0,0,0,0|1,1,0]=3 118 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|1,0,1]=3 124 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,0,0,0,0|1,0,1]=3 125 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,0,0,0,0|1,0,1]=3 126 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,1,0,0,0,0|1,0,1]=3 128 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|1,0,0]=2 130 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|0,1,0]=2 133 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|0,1,0]=2 134 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|0,0,0]=1 135 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|0,0,0]=1 136 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,1,0,0,0,0|1,0,1]=3 140 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,0,0,0,0|2,0,0]=3 146 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [0,1,0,0,0,0|1,1,0]=3 147 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [0,1,0,0,0,0|1,1,0]=3 148 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,0,1,0,0|2,0,0]=3 154 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [2,0,0,0,0,0|1,0,0]=3 157 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [2,0,0,0,0,0|1,0,0]=3 158 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [2,0,0,0,0,0|1,1,0]=4 159 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [2,0,0,0,0,0|1,1,0]=4 160 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [1,1,0,0,0,0|1,1,0]=4 177 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [1,1,0,0,0,0|1,1,0]=4 178 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,1,0]=4 187 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,1,0]=4 188 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|1,1,0]=4 191 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|1,1,0]=4 192 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.8 CCS(=O)(=O)NC WXVL_AK00442HU0028 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.8 CCS(=O)(=O)NC WXVL_AK00442HU0028 [1,1,0,0,0,0|2,0,0]=4 196 B8R0.2 CCC(=O)C(=O)N(C)C WXVL_AN0032SB0344 [0,2,0,0,0,0|1,0,1]=4 197 B8R0.2 CCC(=O)C(=O)N(C)C WXVL_AN0032SB0344 [0,2,0,0,0,0|1,0,1]=4 198 B8R0.2 CCC(=O)N(C)C(C)C WXVL_AN0073SB0064 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.2 CCC(=O)N(C)C(C)C WXVL_AN0073SB0064 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.2 CCC(C)C(=O)N(C)C WXVL_AN0032SB0054 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.2 CCC(C)C(=O)N(C)C WXVL_AN0032SB0054 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.2 CC[C@@H](C)C(=O)N(C)C WXVL_AN0032SB00054 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.2 CC[C@@H](C)C(=O)N(C)C WXVL_AN0032SB00054 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.2 CC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3573 [0,2,0,0,0,0|2,0,0]=4 205 B8R0.2 CC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3573 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.2 CNC(=O)C(=O)C(C)C WXVL_AK00442SB2578 [0,2,0,0,0,0|1,0,1]=4 207 B8R0.2 CNC(=O)C(=O)C(C)C WXVL_AK00442SB2578 [0,2,0,0,0,0|1,0,1]=4 208 B8R0.2 CNC(=O)C(O)C(C)C WXVL_AK00442SB1147 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.2 CNC(=O)C(O)C(C)C WXVL_AK00442SB1147 [0,2,0,0,0,0|2,0,0]=4 210 B8R0.2 CO[C@H](C)C(=O)N(C)C WXVL_AN0032SB2926 [0,2,0,0,0,0|1,1,0]=4 211 B8R0.2 CO[C@H](C)C(=O)N(C)C WXVL_AN0032SB2926 [0,2,0,0,0,0|1,1,0]=4 212 B8R0.5 C#CCC(=O)NC(C)C WXVL_AK0030SB3070 [0,2,0,0,0,0|1,0,1]=4 213 B8R0.5 C#CCC(=O)NC(C)C WXVL_AK0030SB3070 [0,2,0,0,0,0|1,0,1]=4 214 B8R0.5 C/C=C/C(=O)NC(C)C WXVL_AK0030SB0340 [0,2,0,0,0,0|1,0,1]=4 215 B8R0.5 C/C=C/C(=O)NC(C)C WXVL_AK0030SB0340 [0,2,0,0,0,0|1,0,1]=4 216 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,2,0,0,0,0|1,0,1]=4 218 B8R0.5 CC#CC(=O)NC(C)C WXVL_AK0030SB1240 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.5 CC#CC(=O)NC(C)C WXVL_AK0030SB1240 [0,2,0,0,0,0|1,0,1]=4 220 B8R0.5 CC(C)NC(=O)CC#N WXVL_AK0030SB0057 [0,2,0,0,0,0|2,0,0]=4 221 B8R0.5 CC(C)NC(=O)CC#N WXVL_AK0030SB0057 [0,2,0,0,0,0|2,0,0]=4 222 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,2,0,0,0,0|1,0,0]=3 223 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,2,0,0,0,0|1,0,0]=3 224 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,2,0,0,0,0|1,0,1]=4 226 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.5 CCNC(=O)CN(C)C WXVL_AK00476SB0085 [0,2,0,0,0,0|1,0,0]=3 231 B8R0.5 CCNC(=O)CN(C)C WXVL_AK00476SB0085 [0,2,0,0,0,0|1,0,0]=3 232 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.5 COCC(=O)NC(C)C WXVL_AK0030SB0090 [0,2,0,0,0,0|0,1,0]=3 235 B8R0.5 COCC(=O)NC(C)C WXVL_AK0030SB0090 [0,2,0,0,0,0|0,1,0]=3 236 B8R0.5 CSCC(=O)NC(C)C WXVL_AK0030SB1267 [0,2,0,0,0,0|0,0,0]=2 237 B8R0.5 CSCC(=O)NC(C)C WXVL_AK0030SB1267 [0,2,0,0,0,0|0,0,0]=2 238 B8R0.19 C#C[C@@H](C)NC(=O)CC WXVL_AK00735SB0064 [0,2,0,0,0,0|1,0,1]=4 239 B8R0.19 C#C[C@@H](C)NC(=O)CC WXVL_AK00735SB0064 [0,2,0,0,0,0|1,0,1]=4 240 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,2,0,0,0,0|1,0,1]=4 241 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.19 CCC(=O)NC(C)C#N WXVL_AK00810SB0064 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.19 CCC(=O)NC(C)C#N WXVL_AK00810SB0064 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,2,0,0,0,0|2,0,0]=4 247 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,2,0,0,0,0|2,0,0]=4 249 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,2,0,0,0,0|2,0,0]=4 254 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,2,0,0,0,0|1,1,0]=4 259 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,2,0,0,0,0|1,1,0]=4 260 B8R0.23 CC(C)CC(=O)N(C)C WXVL_AN0032SB0063 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.23 CC(C)CC(=O)N(C)C WXVL_AN0032SB0063 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.23 CC(C)NC(=O)C(C)C WXVL_AK0030SB0052 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.23 CC(C)NC(=O)C(C)C WXVL_AK0030SB0052 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.23 CC(C)NC(=O)C(C)S WXVL_AK0030SB2708 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.23 CC(C)NC(=O)C(C)S WXVL_AK0030SB2708 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.23 CC(C)NC(=O)[C@@H](C)O WXVL_AK0030SB1085 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.23 CC(C)NC(=O)[C@@H](C)O WXVL_AK0030SB1085 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.23 CC(O)CC(=O)N(C)C WXVL_AN0032SB3643 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.23 CC(O)CC(=O)N(C)C WXVL_AN0032SB3643 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.23 CN(C)CC(=O)N(C)C WXVL_AN0032SB0085 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.23 CN(C)CC(=O)N(C)C WXVL_AN0032SB0085 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.24 CCC(=O)NC(C)(C)C WXVL_AK0024SB0064 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.24 CCC(=O)NC(C)(C)C WXVL_AK0024SB0064 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.24 CNC(=O)CC(C)(C)C WXVL_AK00442SB0062 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.24 CNC(=O)CC(C)(C)C WXVL_AK00442SB0062 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.24 CNC(=O)CC(C)(C)O WXVL_AK00442SB0163 [0,2,0,0,0,0|2,0,0]=4 277 B8R0.24 CNC(=O)CC(C)(C)O WXVL_AK00442SB0163 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.24 CNC(=O)CS(=O)(=O)C WXVL_AK00442SB0162 [0,2,0,0,0,0|1,0,1]=4 279 B8R0.24 CNC(=O)CS(=O)(=O)C WXVL_AK00442SB0162 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.1 C#CCC(=O)NCCF WXVL_AK00466SB3070 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.1 C#CCC(=O)NCCF WXVL_AK00466SB3070 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,2,0,0,0,0|1,0,1]=4 285 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,2,0,0,0,0|1,0,1]=4 286 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|1,0,1]=4 287 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|1,0,1]=4 288 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,2,0,0,0,0|1,0,1]=4 289 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,2,0,0,0,0|1,0,1]=4 290 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|1,0,1]=4 291 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|1,0,1]=4 292 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,2,0,0,0,0|1,0,1]=4 293 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,2,0,0,0,0|1,0,1]=4 294 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,2,0,0,0,0|1,0,1]=4 295 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,2,0,0,0,0|1,0,1]=4 296 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|1,0,1]=4 297 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|1,0,1]=4 298 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,2,0,0,0,0|0,1,1]=4 299 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,2,0,0,0,0|0,1,1]=4 300 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,2,0,0,0,0|0,0,1]=3 301 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,2,0,0,0,0|0,0,1]=3 302 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,2,0,0,0,0|1,0,1]=4 303 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,2,0,0,0,0|1,0,1]=4 304 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,2,0,0,0,0|1,0,1]=4 305 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,2,0,0,0,0|1,0,1]=4 306 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,2,0,0,0,0|1,0,1]=4 308 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|1,0,0]=3 309 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|1,0,0]=3 310 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,2,0,0,0,0|1,0,1]=4 311 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,2,0,0,0,0|1,0,1]=4 312 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|0,1,0]=3 315 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|0,1,0]=3 316 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|0,0,0]=2 317 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|0,0,0]=2 318 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|0,1,0]=3 321 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|0,1,0]=3 322 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|0,0,0]=2 323 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|0,0,0]=2 324 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|0,1,0]=3 325 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|0,1,0]=3 326 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,2,0,0,0,0|0,0,0]=2 327 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,2,0,0,0,0|0,0,0]=2 328 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,2,0,0,0,0|2,0,0]=4 330 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,2,0,0,0,0|0,1,1]=4 331 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,2,0,0,0,0|0,1,1]=4 332 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,2,0,0,0,0|0,1,0]=3 333 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,2,0,0,0,0|0,1,0]=3 334 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,2,0,0,0,0|0,0,1]=3 335 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,2,0,0,0,0|0,0,1]=3 336 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,2,0,0,0,0|0,0,0]=2 337 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,2,0,0,0,0|0,0,0]=2 338 B8R0.1 N#CCC(=O)NCCF WXVL_AK00466SB0057 [0,2,0,0,0,0|2,0,0]=4 339 B8R0.1 N#CCC(=O)NCCF WXVL_AK00466SB0057 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [0,2,0,0,0,0|1,0,1]=4 342 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,2,0,0,0,0|2,0,0]=4 345 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|2,0,0]=4 347 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|2,0,0]=4 348 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|2,0,0]=4 350 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,2,0,0,0,0|1,0,1]=4 352 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [0,2,0,0,0,0|1,0,0]=3 353 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [0,2,0,0,0,0|1,0,0]=3 354 B8R0.3 CCNC(=O)[C@@H](C)OC WXVL_AK00476SB2926 [0,2,0,0,0,0|0,1,0]=3 355 B8R0.3 CCNC(=O)[C@@H](C)OC WXVL_AK00476SB2926 [0,2,0,0,0,0|0,1,0]=3 356 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [0,2,0,0,0,0|1,0,0]=3 357 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [0,2,0,0,0,0|1,0,0]=3 358 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [0,2,0,0,0,0|1,0,0]=3 360 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,2,0,0,0,0|1,0,1]=4 361 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,2,0,0,0,0|1,0,1]=4 362 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,2,0,0,0,0|0,0,2]=4 363 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,2,0,0,0,0|0,0,2]=4 364 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,2,0,0,0,0|1,0,1]=4 368 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,2,0,0,0,0|2,0,0]=4 370 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,2,0,0,0,0|1,0,1]=4 371 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,2,0,0,0,0|1,0,1]=4 372 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,2,0,0,0,0|1,0,1]=4 375 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,2,0,0,0,0|1,0,1]=4 376 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|1,0,0]=3 377 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|1,0,0]=3 378 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|0,0,0]=2 379 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|0,0,0]=2 380 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|1,0,0]=3 381 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|1,0,0]=3 382 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|2,0,0]=4 383 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|2,0,0]=4 387 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|2,0,0]=4 388 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|1,0,0]=3 391 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|2,0,0]=4 393 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|2,0,0]=4 394 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,2,0,0,0,0|1,0,1]=4 395 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,2,0,0,0,0|1,0,1]=4 397 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,2,0,0,0,0|1,0,1]=4 398 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,2,0,0,0,0|1,0,1]=4 399 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,2,0,0,0,0|1,0,1]=4 400 B8R0.8 CC(C)C(=O)NCC#N WXVL_AK0683SB0052 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.8 CC(C)C(=O)NCC#N WXVL_AK0683SB0052 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,2,0,0,0,0|2,0,0]=4 404 B8R0.8 CC(S)C(=O)NCC#N WXVL_AK0683SB2708 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.8 CC(S)C(=O)NCC#N WXVL_AK0683SB2708 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,2,0,0,0,0|2,0,0]=4 407 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,2,0,0,0,0|1,0,1]=4 409 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,2,0,0,0,0|1,0,1]=4 410 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,2,0,0,0,0|1,0,0]=3 413 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,2,0,0,0,0|1,0,0]=3 414 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|1,0,0]=3 417 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,2,0,0,0,0|1,1,0]=4 419 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,2,0,0,0,0|1,1,0]=4 420 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,2,0,0,0,0|1,0,0]=3 421 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,2,0,0,0,0|1,1,0]=4 423 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,2,0,0,0,0|1,1,0]=4 424 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.8 C[C@@H](O)C(=O)NCC#N WXVL_AK0683SB1085 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.8 C[C@@H](O)C(=O)NCC#N WXVL_AK0683SB1085 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,2,0,0,0,0|1,0,0]=3 442 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|1,0,0]=3 443 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|1,0,0]=3 448 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,2,0,0,0,0|2,0,0]=4 451 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,2,0,0,0,0|1,1,0]=4 459 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,2,0,0,0,0|1,1,0]=4 460 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,2,0,0,0,0|1,1,0]=4 461 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,2,0,0,0,0|1,1,0]=4 462 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,2,0,0,0,0|1,0,0]=3 463 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,2,0,0,0,0|1,0,0]=3 464 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|2,0,0]=4 466 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.14 CCNC(=O)C(C)(C)Br WXVL_AK00476SB0432 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.14 CCNC(=O)C(C)(C)Br WXVL_AK00476SB0432 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.14 CCNC(=O)C(C)(C)C WXVL_AK00476SB0078 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.14 CCNC(=O)C(C)(C)C WXVL_AK00476SB0078 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.14 CCNC(=O)C(C)(C)F WXVL_AK00476SB0199 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.14 CCNC(=O)C(C)(C)F WXVL_AK00476SB0199 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.14 CCNC(=O)C(C)(C)O WXVL_AK00476SB0125 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.14 CCNC(=O)C(C)(C)O WXVL_AK00476SB0125 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.14 CCNC(=O)C(C)(F)F WXVL_AK00476SB0197 [0,2,0,0,0,0|2,0,0]=4 477 B8R0.14 CCNC(=O)C(C)(F)F WXVL_AK00476SB0197 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.30 CCCS(=O)(=O)NCC WXVL_AK00476HU0030 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.30 CCCS(=O)(=O)NCC WXVL_AK00476HU0030 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.13 CCC(C)(C)C(=O)NC WXVL_AK00442SB0355 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.13 CCC(C)(C)C(=O)NC WXVL_AK00442SB0355 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.13 CCC(C)(O)C(=O)NC WXVL_AK00442SB3009 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.13 CCC(C)(O)C(=O)NC WXVL_AK00442SB3009 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.13 CNC(=O)C(C)(C)OC WXVL_AK00442SB0207 [0,2,0,0,0,0|1,1,0]=4 485 B8R0.13 CNC(=O)C(C)(C)OC WXVL_AK00442SB0207 [0,2,0,0,0,0|1,1,0]=4 486 B8R0.20 CCC(=O)N(CC)CC WXVL_AN0042SB0064 [0,2,0,0,0,0|2,0,0]=4 487 B8R0.20 CCC(=O)N(CC)CC WXVL_AN0042SB0064 [0,2,0,0,0,0|2,0,0]=4 488 B8R0.20 CCC(CC)C(=O)NC WXVL_AK00442SB0055 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.20 CCC(CC)C(=O)NC WXVL_AK00442SB0055 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.20 CNC(=O)C(OC)OC WXVL_AK00442SB8546 [0,2,0,0,0,0|1,1,0]=4 491 B8R0.20 CNC(=O)C(OC)OC WXVL_AK00442SB8546 [0,2,0,0,0,0|1,1,0]=4 492 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [1,0,0,1,0,0|2,0,0]=4 494 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,1,0,1,0,0|1,0,0]=3 495 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.54 CN(C)C(=O)C1CC1 WXVL_AN0032SB0038 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.54 CN(C)C(=O)C1CC1 WXVL_AN0032SB0038 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.39 CNC(=O)C1(CC1)Br WXVL_AK00442SB5517 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.39 CNC(=O)C1(CC1)Br WXVL_AK00442SB5517 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.39 CNC(=O)C1(CC1)C WXVL_AK00442SB0040 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.39 CNC(=O)C1(CC1)C WXVL_AK00442SB0040 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.39 CNC(=O)C1(CC1)F WXVL_AK00442SB0218 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.39 CNC(=O)C1(CC1)F WXVL_AK00442SB0218 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.39 CNC(=O)C1(CC1)O WXVL_AK00442SB2965 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.39 CNC(=O)C1(CC1)O WXVL_AK00442SB2965 [0,1,0,1,0,0|2,0,0]=4