0 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.1 C#CCC(=O)NCCF WXVL_AK00466SB3070 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.1 C#CCC(=O)NCCF WXVL_AK00466SB3070 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|0,0,2]=3 83 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|0,0,2]=3 84 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,0,0,0,0|1,0,1]=3 89 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|0,0,2]=3 93 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|0,0,2]=3 94 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|1,0,2]=4 97 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,1,0,0,0,0|1,0,2]=4 99 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,0,0,0,0|1,0,1]=3 102 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|2,0,0]=3 108 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,1,0,0,0,0|1,0,1]=3 110 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|1,0,0]=2 114 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|1,0,0]=2 115 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|1,0,0]=2 116 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,1,0,0,0,0|1,0,2]=4 117 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|1,0,0]=2 119 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|1,0,0]=2 120 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|1,0,0]=2 121 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|1,0,0]=2 122 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|1,0,0]=2 125 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.1 N#CCC(=O)NCCF WXVL_AK00466SB0057 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.1 N#CCC(=O)NCCF WXVL_AK00466SB0057 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,1,0,0,0,0|1,0,2]=4 140 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,0,0,0,0|1,0,0]=2 148 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,0,0,0,0|1,0,1]=3 150 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|0,0,2]=3 155 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|0,0,2]=3 156 B8R0.6 C#CC(=O)NCCCO WXVL_AK0073SB0338 [0,1,0,0,0,0|1,0,2]=4 157 B8R0.6 C#CC(=O)NCCCO WXVL_AK0073SB0338 [0,1,0,0,0,0|1,0,2]=4 158 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,1,0,0,0,0|1,0,2]=4 160 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,1,0,0,0,0|1,0,1]=3 161 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,1,0,0,0,0|1,0,1]=3 162 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|0,0,2]=3 163 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|0,0,2]=3 164 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,1,0,0,0,0|1,0,2]=4 165 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|1,0,1]=3 167 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|0,0,2]=3 169 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|0,0,2]=3 170 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,1,0,0,0,0|1,0,2]=4 172 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|1,0,1]=3 173 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|1,0,1]=3 174 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|1,0,1]=3 175 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|1,0,1]=3 176 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|1,0,0]=2 177 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|1,0,0]=2 178 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|1,0,0]=2 179 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|1,0,0]=2 180 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|0,0,0]=1 181 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|0,0,0]=1 182 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|1,0,0]=2 183 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|1,0,0]=2 184 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|1,0,2]=4 185 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|1,0,2]=4 186 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|1,0,0]=2 187 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|1,0,0]=2 188 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|1,0,0]=2 189 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|1,0,0]=2 190 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,0]=3 192 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,0]=3 193 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,0]=3 197 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.8 C#CCCC(=O)N(C)C WXVL_AN0032SB2189 [0,1,0,0,0,0|1,0,2]=4 199 B8R0.8 C#CCCC(=O)N(C)C WXVL_AN0032SB2189 [0,1,0,0,0,0|1,0,2]=4 200 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,1,0,0,0,0|1,0,2]=4 201 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,1,0,0,0,0|1,0,2]=4 202 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,1,0,0,0,0|1,0,2]=4 203 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,1,0,0,0,0|1,0,2]=4 204 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,1,0,0,0,0|1,0,2]=4 205 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,1,0,0,0,0|1,0,2]=4 207 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,1,0,0,0,0|1,0,2]=4 208 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,1,0,0,0,0|1,0,2]=4 209 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,1,0,0,0,0|1,0,2]=4 210 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.8 CC(C)C(=O)NCC#N WXVL_AK0683SB0052 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.8 CC(C)C(=O)NCC#N WXVL_AK0683SB0052 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,1,0,0,0,0|2,0,0]=3 215 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.8 CC(S)C(=O)NCC#N WXVL_AK0683SB2708 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.8 CC(S)C(=O)NCC#N WXVL_AK0683SB2708 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|1,0,1]=3 221 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|1,0,1]=3 222 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|1,0,0]=2 225 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|1,0,0]=2 226 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|1,0,0]=2 227 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|1,0,0]=2 228 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,1,0,0,0,0|2,0,0]=3 229 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,1,0,0,0,0|2,0,0]=3 230 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|1,0,0]=2 231 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,1,0,0,0,0|2,0,0]=3 233 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,1,0,0,0,0|2,0,0]=3 234 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,1,0,0,0,0|2,0,0]=3 235 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,1,0,0,0,0|2,0,0]=3 236 B8R0.8 CN(C)C(=O)NCCCl WXVL_AN0032YV0092 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.8 CN(C)C(=O)NCCCl WXVL_AN0032YV0092 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,1,0,0,0,0|2,0,0]=3 239 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,1,0,0,0,0|2,0,0]=3 241 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,1,0,0,0,0|2,0,0]=3 242 B8R0.8 C[C@@H](O)C(=O)NCC#N WXVL_AK0683SB1085 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.8 C[C@@H](O)C(=O)NCC#N WXVL_AK0683SB1085 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,1,0,0,0,0|2,0,0]=3 245 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,1,0,0,0,0|2,0,0]=3 246 B8R0.8 O=C(NCCF)C(F)F WXVL_AK00466SB0079 [0,1,0,0,0,0|3,0,0]=4 247 B8R0.8 O=C(NCCF)C(F)F WXVL_AK00466SB0079 [0,1,0,0,0,0|3,0,0]=4 248 B8R0.9 C#CC(=O)NCC(C)C WXVL_AK00544SB0338 [0,1,0,0,0,0|1,0,2]=4 249 B8R0.9 C#CC(=O)NCC(C)C WXVL_AK00544SB0338 [0,1,0,0,0,0|1,0,2]=4 250 B8R0.9 C#CC(=O)NCC(C)O WXVL_AK0052SB0338 [0,1,0,0,0,0|1,0,2]=4 251 B8R0.9 C#CC(=O)NCC(C)O WXVL_AK0052SB0338 [0,1,0,0,0,0|1,0,2]=4 252 B8R0.9 C#CC(=O)NC[C@H](C)O WXVL_AK0113SB0338 [0,1,0,0,0,0|1,0,2]=4 253 B8R0.9 C#CC(=O)NC[C@H](C)O WXVL_AK0113SB0338 [0,1,0,0,0,0|1,0,2]=4 254 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|1,0,1]=3 255 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|1,0,1]=3 256 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,1,0,0,0,0|2,0,0]=3 259 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,1,0,0,0,0|2,0,0]=3 260 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,1,0,0,0,0|2,0,0]=3 261 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,1,0,0,0,0|2,0,0]=3 262 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,1,0,0,0,0|2,0,1]=4 263 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,0,0,0,0|1,0,0]=2 265 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,0,0,0,0|1,0,0]=2 266 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,0,0,0,0|1,0,0]=2 267 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,0,0,0,0|1,0,0]=2 268 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,1,0,0,0,0|2,0,0]=3 269 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,1,0,0,0,0|2,0,0]=3 270 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,0,0,0,0|1,0,0]=2 271 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,0,0,0,0|1,0,0]=2 272 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [0,1,0,0,0,0|1,0,2]=4 273 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [0,1,0,0,0,0|1,0,2]=4 274 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|1,0,1]=3 275 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|1,0,1]=3 276 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,1,0,0,0,0|2,0,1]=4 278 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,0,0,0,0|1,0,0]=2 279 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,0,0,0,0|1,0,0]=2 280 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,1,0,0,0,0|2,0,0]=3 281 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,1,0,0,0,0|2,0,0]=3 282 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,1,0,0,0,0|2,0,1]=4 283 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,1,0,0,0,0|2,0,1]=4 284 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,1,0,0,0,0|2,0,0]=3 289 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,1,0,0,0,0|2,0,0]=3 290 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,1,0,0,0,0|2,0,1]=4 292 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,1,0,0,0,0|2,0,1]=4 293 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,1,0,0,0,0|2,0,1]=4 294 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,1,0,0,0,0|2,0,0]=3 295 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.9 O=C(CO)NCC(F)F WXVL_AK0136SB2706 [0,1,0,0,0,0|3,0,0]=4 297 B8R0.9 O=C(CO)NCC(F)F WXVL_AK0136SB2706 [0,1,0,0,0,0|3,0,0]=4 298 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [0,1,0,0,0,0|1,0,2]=4 299 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [0,1,0,0,0,0|1,0,2]=4 300 B8R0.19 C#C[C@@H](C)NC(=O)CC WXVL_AK00735SB0064 [0,1,0,0,0,0|1,0,2]=4 301 B8R0.19 C#C[C@@H](C)NC(=O)CC WXVL_AK00735SB0064 [0,1,0,0,0,0|1,0,2]=4 302 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,1,0,0,0,0|1,0,2]=4 303 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,1,0,0,0,0|1,0,2]=4 304 B8R0.19 CCC(=O)NC(C)C#N WXVL_AK00810SB0064 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.19 CCC(=O)NC(C)C#N WXVL_AK00810SB0064 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,0,0,0,0|1,0,0]=2 307 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,0,0,0,0|1,0,0]=2 308 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,1,0,0,0,0|2,0,0]=3 309 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,1,0,0,0,0|2,0,0]=3 310 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,1,0,0,0,0|2,0,0]=3 311 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,1,0,0,0,0|2,0,0]=3 312 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,0,0,0,0|1,0,0]=2 313 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,0,0,0,0|1,0,0]=2 314 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,0,0,0,0|1,0,0]=2 315 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,0,0,0,0|1,0,0]=2 316 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,0,0,0,0|1,0,0]=2 317 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,0,0,0,0|1,0,0]=2 318 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,1,0,0,0,0|2,0,0]=3 319 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,1,0,0,0,0|2,0,0]=3 320 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,1,0,0,0,0|2,0,1]=4 321 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,1,0,0,0,0|3,0,0]=4 323 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,1,0,0,0,0|3,0,0]=4 324 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,1,0,0,0,0|3,0,0]=4 325 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,1,0,0,0,0|3,0,0]=4 326 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,1,0,0,0,0|2,0,0]=3 327 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,1,0,0,0,0|2,0,0]=3 328 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,1,0,0,0,0|2,0,0]=3 329 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,1,0,0,0,0|2,0,0]=3 330 B8R0.25 CCS(=O)(=O)NCCF WXVL_AK00466HU0028 [0,1,0,0,0,0|3,0,0]=4 331 B8R0.25 CCS(=O)(=O)NCCF WXVL_AK00466HU0028 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.25 CNS(=O)(=O)CCCCl WXVL_AK00442HU0162 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.25 CNS(=O)(=O)CCCCl WXVL_AK00442HU0162 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.25 CNS(=O)(=O)CCOC WXVL_AK00442HU0155 [0,1,0,0,0,0|3,0,0]=4 335 B8R0.25 CNS(=O)(=O)CCOC WXVL_AK00442HU0155 [0,1,0,0,0,0|3,0,0]=4 336 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,0,1,0,0|1,0,0]=2 337 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,0,1,0,0|1,0,0]=2 338 B8R1.40 C#CC(=O)NC1CC1 WXVL_AK0001SB0338 [0,0,0,1,0,0|1,0,2]=4 339 B8R1.40 C#CC(=O)NC1CC1 WXVL_AK0001SB0338 [0,0,0,1,0,0|1,0,2]=4 340 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,0,0,1,0,0|1,0,0]=2 341 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,0,0,1,0,0|1,0,0]=2 342 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,0,0,1,0,0|1,0,0]=2 343 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,0,0,1,0,0|1,0,0]=2 344 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,0,0,1,0,0|2,0,0]=3 345 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,0,0,1,0,0|2,0,0]=3 346 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,0,0,1,0,0|1,0,0]=2 347 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,0,0,1,0,0|1,0,0]=2 348 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,0,0,1,0,0|2,0,0]=3 349 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,0,0,1,0,0|2,0,0]=3 350 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,0,0,1,0,0|2,0,0]=3 351 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,0,0,1,0,0|2,0,0]=3 352 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 353 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 354 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 355 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 356 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 361 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 362 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|2,0,0]=4 364 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [1,1,0,0,0,0|2,0,0]=4 365 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [1,1,0,0,0,0|2,0,0]=4 366 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|1,0,0]=3 367 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|1,0,0]=3 368 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|1,0,0]=3 369 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|1,0,0]=3 370 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|1,0,0]=3 372 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|2,0,0]=4 373 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|2,0,0]=4 374 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|1,0,0]=3 376 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|1,0,1]=4 377 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|1,0,1]=4 378 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|1,0,0]=3 379 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|1,0,0]=3 380 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|1,0,0]=3 381 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|1,0,0]=3 382 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [1,1,0,0,0,0|2,0,0]=4 383 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [1,1,0,0,0,0|2,0,0]=4 384 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|1,0,0]=3 385 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|1,0,0]=3 386 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|2,0,0]=4 388 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|2,0,0]=4 390 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [1,1,0,0,0,0|0,0,2]=4 391 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [1,1,0,0,0,0|0,0,2]=4 392 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|0,0,2]=4 393 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|0,0,2]=4 394 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|0,0,2]=4 395 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|0,0,2]=4 396 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,1,0,0,0,0|0,0,2]=4 397 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,1,0,0,0,0|0,0,2]=4 398 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|0,0,0]=2 399 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|0,0,0]=2 400 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|1,0,0]=3 403 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|1,0,0]=3 405 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|1,0,0]=3 409 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|1,0,0]=3 410 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|1,0,0]=3 411 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|1,0,0]=3 412 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|1,0,0]=3 413 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|1,0,0]=3 414 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|2,0,0]=4 415 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|2,0,0]=4 416 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [1,1,0,0,0,0|2,0,0]=4 417 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [1,1,0,0,0,0|2,0,0]=4 418 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [1,1,0,0,0,0|2,0,0]=4 419 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [1,1,0,0,0,0|2,0,0]=4 420 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [1,1,0,0,0,0|1,0,1]=4 421 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,1,0,0,0,0|0,0,2]=4 423 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,1,0,0,0,0|0,0,2]=4 424 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,1,0,0,0,0|1,0,1]=4 425 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,1,0,0,0,0|1,0,1]=4 426 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|0,0,2]=4 427 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|0,0,2]=4 428 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,1,0,0,0,0|1,0,1]=4 429 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,1,0,0,0,0|1,0,1]=4 430 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|1,0,0]=3 431 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|1,0,0]=3 432 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,1,0,0,0,0|1,0,1]=4 433 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,1,0,0,0,0|1,0,1]=4 434 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|0,0,0]=2 435 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|0,0,0]=2 436 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,1,0,0,0,0|1,0,0]=3 437 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,1,0,0,0,0|1,0,0]=3 438 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,1,0,0,0,0|1,0,0]=3 439 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,1,0,0,0,0|1,0,0]=3 440 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,1,0,0,0,0|1,0,0]=3 441 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [1,1,0,0,0,0|1,0,1]=4 445 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|1,0,0]=3 447 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|1,0,0]=3 448 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|1,0,0]=3 449 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|1,0,0]=3 450 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|1,0,0]=3 453 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|1,0,0]=3 455 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|1,0,0]=3 456 B7R0.6 CC(C)OCC(=O)N WXVL_AK0084SB0213 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.6 CC(C)OCC(=O)N WXVL_AK0084SB0213 [1,1,0,0,0,0|2,0,0]=4 458 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [1,1,0,0,0,0|2,0,0]=4 459 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [1,1,0,0,0,0|2,0,0]=4 460 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [1,1,0,0,0,0|2,0,0]=4 461 B7R0.8 CCCCS(=O)(=O)N WXVL_AK0084HU0031 [1,1,0,0,0,0|2,0,0]=4 462 B9R0.4 C#CCCC(=O)NC(C)C WXVL_AK0030SB2189 [0,2,0,0,0,0|0,0,2]=4 463 B9R0.4 C#CCCC(=O)NC(C)C WXVL_AK0030SB2189 [0,2,0,0,0,0|0,0,2]=4 464 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [0,2,0,0,0,0|0,0,2]=4 465 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [0,2,0,0,0,0|0,0,2]=4 466 B9R0.4 CC(C)CC(=O)NCCF WXVL_AK00466SB0063 [0,2,0,0,0,0|2,0,0]=4 467 B9R0.4 CC(C)CC(=O)NCCF WXVL_AK00466SB0063 [0,2,0,0,0,0|2,0,0]=4 468 B9R0.4 CC(C)NC(=O)NCCCl WXVL_AK0030YV0092 [0,2,0,0,0,0|2,0,0]=4 469 B9R0.4 CC(C)NC(=O)NCCCl WXVL_AK0030YV0092 [0,2,0,0,0,0|2,0,0]=4 470 B9R0.4 CC(O)CC(=O)NCCF WXVL_AK00466SB3643 [0,2,0,0,0,0|2,0,0]=4 471 B9R0.4 CC(O)CC(=O)NCCF WXVL_AK00466SB3643 [0,2,0,0,0,0|2,0,0]=4 472 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|1,0,1]=4 473 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|1,0,1]=4 474 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [0,2,0,0,0,0|1,0,0]=3 475 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [0,2,0,0,0,0|1,0,0]=3 476 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|1,0,0]=3 477 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|1,0,0]=3 478 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [0,2,0,0,0,0|1,0,0]=3 479 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [0,2,0,0,0,0|1,0,0]=3 480 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [0,2,0,0,0,0|1,0,0]=3 481 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [0,2,0,0,0,0|1,0,0]=3 482 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [0,2,0,0,0,0|1,0,0]=3 483 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [0,2,0,0,0,0|1,0,0]=3 484 B9R0.4 CN(C)CC(=O)NCCF WXVL_AK00466SB0085 [0,2,0,0,0,0|2,0,0]=4 485 B9R0.4 CN(C)CC(=O)NCCF WXVL_AK00466SB0085 [0,2,0,0,0,0|2,0,0]=4 486 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,2,0,0,0,0|1,0,0]=3 487 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,2,0,0,0,0|1,0,0]=3 488 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|1,0,0]=3 489 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|1,0,0]=3 490 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,2,0,0,0,0|0,0,1]=3 491 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,2,0,0,0,0|0,0,1]=3 492 B9R0.5 C#CCC(=O)NCCCO WXVL_AK0073SB3070 [0,2,0,0,0,0|1,0,1]=4 493 B9R0.5 C#CCC(=O)NCCCO WXVL_AK0073SB3070 [0,2,0,0,0,0|1,0,1]=4 494 B9R0.5 C#CCC(=O)NCCSC WXVL_AK00440SB3070 [0,2,0,0,0,0|1,0,1]=4 495 B9R0.5 C#CCC(=O)NCCSC WXVL_AK00440SB3070 [0,2,0,0,0,0|1,0,1]=4 496 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,2,0,0,0,0|0,0,1]=3 497 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,2,0,0,0,0|0,0,1]=3 498 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [0,2,0,0,0,0|0,0,2]=4 499 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [0,2,0,0,0,0|0,0,2]=4 500 B9R0.5 C#CCCNC(=O)COC WXVL_AK3109SB0090 [0,2,0,0,0,0|0,0,2]=4 501 B9R0.5 C#CCCNC(=O)COC WXVL_AK3109SB0090 [0,2,0,0,0,0|0,0,2]=4 502 B9R0.5 C#CCCNC(=O)CSC WXVL_AK3109SB1267 [0,2,0,0,0,0|0,0,2]=4 503 B9R0.5 C#CCCNC(=O)CSC WXVL_AK3109SB1267 [0,2,0,0,0,0|0,0,2]=4 504 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|0,0,1]=3 505 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|0,0,1]=3 506 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,2,0,0,0,0|1,0,1]=4 507 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,2,0,0,0,0|1,0,1]=4 508 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|1,0,1]=4 509 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|1,0,1]=4 510 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|0,0,1]=3 511 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|0,0,1]=3 512 B9R0.5 C=CCC(=O)NCCCO WXVL_AK0073SB2732 [0,2,0,0,0,0|1,0,1]=4 513 B9R0.5 C=CCC(=O)NCCCO WXVL_AK0073SB2732 [0,2,0,0,0,0|1,0,1]=4 514 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,2,0,0,0,0|1,0,1]=4 515 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|0,0,1]=3 517 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|0,0,1]=3 518 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|0,0,2]=4 519 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|0,0,2]=4 520 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|0,0,2]=4 521 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|0,0,2]=4 522 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,2,0,0,0,0|0,0,2]=4 523 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,2,0,0,0,0|0,0,2]=4 524 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|0,0,1]=3 525 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|0,0,1]=3 526 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,2,0,0,0,0|1,0,1]=4 527 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,2,0,0,0,0|1,0,1]=4 528 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|1,0,1]=4 529 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|1,0,1]=4 530 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|0,0,1]=3 531 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|0,0,1]=3 532 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,2,0,0,0,0|1,0,1]=4 533 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,2,0,0,0,0|1,0,1]=4 534 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|1,0,0]=3 535 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|1,0,0]=3 536 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|1,0,0]=3 537 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|1,0,0]=3 538 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,2,0,0,0,0|0,0,1]=3 539 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,2,0,0,0,0|0,0,1]=3 540 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|0,0,0]=2 541 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|0,0,0]=2 542 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|0,0,0]=2 543 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|0,0,0]=2 544 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|0,0,0]=2 545 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|0,0,0]=2 546 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|0,0,2]=4 547 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|0,0,2]=4 548 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|0,0,0]=2 549 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|0,0,0]=2 550 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|0,0,0]=2 551 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|0,0,0]=2 552 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,2,0,0,0,0|1,0,0]=3 553 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,2,0,0,0,0|1,0,0]=3 554 B9R0.5 COCC(=O)NCCC#N WXVL_AK0087SB0090 [0,2,0,0,0,0|1,0,1]=4 555 B9R0.5 COCC(=O)NCCC#N WXVL_AK0087SB0090 [0,2,0,0,0,0|1,0,1]=4 556 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|1,0,0]=3 557 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|1,0,0]=3 558 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|1,0,0]=3 559 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|1,0,0]=3 560 B9R0.5 CSCC(=O)NCCC#N WXVL_AK0087SB1267 [0,2,0,0,0,0|1,0,1]=4 561 B9R0.5 CSCC(=O)NCCC#N WXVL_AK0087SB1267 [0,2,0,0,0,0|1,0,1]=4 562 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|1,0,0]=3 563 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|1,0,0]=3 564 B9R0.5 CSCCNC(=O)CC#N WXVL_AK00440SB0057 [0,2,0,0,0,0|1,0,1]=4 565 B9R0.5 CSCCNC(=O)CC#N WXVL_AK00440SB0057 [0,2,0,0,0,0|1,0,1]=4 566 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|1,0,0]=3 567 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|1,0,0]=3 568 B9R0.5 N#CCC(=O)NCCCO WXVL_AK0073SB0057 [0,2,0,0,0,0|1,0,1]=4 569 B9R0.5 N#CCC(=O)NCCCO WXVL_AK0073SB0057 [0,2,0,0,0,0|1,0,1]=4 570 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,2,0,0,0,0|1,0,1]=4 571 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,2,0,0,0,0|1,0,1]=4 572 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,2,0,0,0,0|1,0,1]=4 573 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,2,0,0,0,0|1,0,1]=4 574 B9R0.8 CCC(=O)N(C)CCOC WXVL_AN0085SB0064 [0,2,0,0,0,0|1,0,0]=3 575 B9R0.8 CCC(=O)N(C)CCOC WXVL_AN0085SB0064 [0,2,0,0,0,0|1,0,0]=3 576 B9R0.8 CCC(C)C(=O)NCCF WXVL_AK00466SB0054 [0,2,0,0,0,0|2,0,0]=4 577 B9R0.8 CCC(C)C(=O)NCCF WXVL_AK00466SB0054 [0,2,0,0,0,0|2,0,0]=4 578 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|1,0,0]=3 579 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|1,0,0]=3 580 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|0,0,1]=3 581 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|0,0,1]=3 582 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [0,2,0,0,0,0|1,0,0]=3 583 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [0,2,0,0,0,0|1,0,0]=3 584 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,2,0,0,0,0|1,0,0]=3 585 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,2,0,0,0,0|1,0,0]=3 586 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [0,2,0,0,0,0|1,0,0]=3 587 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [0,2,0,0,0,0|1,0,0]=3 588 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [0,2,0,0,0,0|1,0,0]=3 589 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [0,2,0,0,0,0|1,0,0]=3 590 B9R0.8 CC[C@@H](C)C(=O)NCCF WXVL_AK00466SB00054 [0,2,0,0,0,0|2,0,0]=4 591 B9R0.8 CC[C@@H](C)C(=O)NCCF WXVL_AK00466SB00054 [0,2,0,0,0,0|2,0,0]=4 592 B9R0.8 CC[C@H](O)C(=O)NCCF WXVL_AK00466SB3573 [0,2,0,0,0,0|2,0,0]=4 593 B9R0.8 CC[C@H](O)C(=O)NCCF WXVL_AK00466SB3573 [0,2,0,0,0,0|2,0,0]=4 594 B9R0.8 COCCN(C)C(=O)CO WXVL_AN0085SB2706 [0,2,0,0,0,0|2,0,0]=4 595 B9R0.8 COCCN(C)C(=O)CO WXVL_AN0085SB2706 [0,2,0,0,0,0|2,0,0]=4 596 B9R0.8 CO[C@H](C)C(=O)NCCF WXVL_AK00466SB2926 [0,2,0,0,0,0|2,0,0]=4 597 B9R0.8 CO[C@H](C)C(=O)NCCF WXVL_AK00466SB2926 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [0,2,0,0,0,0|1,0,0]=3 600 B9R0.18 C#CCCC(=O)NCCF WXVL_AK00466SB2189 [0,2,0,0,0,0|0,0,2]=4 601 B9R0.18 C#CCCC(=O)NCCF WXVL_AK00466SB2189 [0,2,0,0,0,0|0,0,2]=4 602 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|1,0,0]=3 603 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|1,0,0]=3 604 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,2,0,0,0,0|0,0,2]=4 605 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,2,0,0,0,0|0,0,2]=4 606 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|1,0,1]=4 607 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|1,0,1]=4 608 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|1,0,1]=4 609 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|1,0,1]=4 610 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,2,0,0,0,0|1,0,1]=4 611 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,2,0,0,0,0|1,0,1]=4 612 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [0,2,0,0,0,0|1,0,1]=4 613 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [0,2,0,0,0,0|1,0,1]=4 614 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,2,0,0,0,0|1,0,1]=4 615 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,0,0]=3 617 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,0,0]=3 618 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|1,0,0]=3 619 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|1,0,0]=3 620 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,2,0,0,0,0|1,0,0]=3 621 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,2,0,0,0,0|1,0,0]=3 622 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [0,2,0,0,0,0|1,0,0]=3 623 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [0,2,0,0,0,0|1,0,0]=3 624 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [0,2,0,0,0,0|1,0,0]=3 625 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [0,2,0,0,0,0|1,0,0]=3 626 B9R0.18 CCOCC(=O)NCC#N WXVL_AK0683SB0091 [0,2,0,0,0,0|1,0,1]=4 627 B9R0.18 CCOCC(=O)NCC#N WXVL_AK0683SB0091 [0,2,0,0,0,0|1,0,1]=4 628 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [0,2,0,0,0,0|1,0,0]=3 629 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [0,2,0,0,0,0|1,0,0]=3 630 B9R0.18 CCSCC(=O)NCC#N WXVL_AK0683SB0002 [0,2,0,0,0,0|1,0,1]=4 631 B9R0.18 CCSCC(=O)NCC#N WXVL_AK0683SB0002 [0,2,0,0,0,0|1,0,1]=4 632 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [0,2,0,0,0,0|1,0,0]=3 633 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [0,2,0,0,0,0|1,0,0]=3 634 B9R0.18 COCCC(=O)NCC#N WXVL_AK0683SB0156 [0,2,0,0,0,0|1,0,1]=4 635 B9R0.18 COCCC(=O)NCC#N WXVL_AK0683SB0156 [0,2,0,0,0,0|1,0,1]=4 636 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,2,0,0,0,0|1,0,0]=3 637 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,2,0,0,0,0|1,0,0]=3 638 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,2,0,0,0,0|1,0,1]=4 639 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,2,0,0,0,0|1,0,1]=4 640 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|1,0,0]=3 641 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|1,0,0]=3 642 B9R0.18 O=C(NCCF)NCCCl WXVL_AK00466YV0092 [0,2,0,0,0,0|2,0,0]=4 643 B9R0.18 O=C(NCCF)NCCCl WXVL_AK00466YV0092 [0,2,0,0,0,0|2,0,0]=4 644 B9R0.34 C#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB0338 [0,2,0,0,0,0|0,0,2]=4 645 B9R0.34 C#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB0338 [0,2,0,0,0,0|0,0,2]=4 646 B9R0.34 C#CCC(=O)N[C@@H](C)CC WXVL_AK00678SB3070 [0,2,0,0,0,0|1,0,1]=4 647 B9R0.34 C#CCC(=O)N[C@@H](C)CC WXVL_AK00678SB3070 [0,2,0,0,0,0|1,0,1]=4 648 B9R0.34 C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0340 [0,2,0,0,0,0|1,0,1]=4 649 B9R0.34 C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0340 [0,2,0,0,0,0|1,0,1]=4 650 B9R0.34 C=CCC(=O)N[C@@H](C)CC WXVL_AK00678SB2732 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.34 C=CCC(=O)N[C@@H](C)CC WXVL_AK00678SB2732 [0,2,0,0,0,0|1,0,1]=4 652 B9R0.34 CC#CC(=O)N[C@@H](C)CC WXVL_AK00678SB1240 [0,2,0,0,0,0|1,0,1]=4 653 B9R0.34 CC#CC(=O)N[C@@H](C)CC WXVL_AK00678SB1240 [0,2,0,0,0,0|1,0,1]=4 654 B9R0.34 CC(CCO)NC(=O)CO WXVL_AK1288SB2706 [0,2,0,0,0,0|2,0,0]=4 655 B9R0.34 CC(CCO)NC(=O)CO WXVL_AK1288SB2706 [0,2,0,0,0,0|2,0,0]=4 656 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [0,2,0,0,0,0|1,0,0]=3 657 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [0,2,0,0,0,0|1,0,0]=3 658 B9R0.34 CCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0064 [0,2,0,0,0,0|1,0,1]=4 659 B9R0.34 CCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0064 [0,2,0,0,0,0|1,0,1]=4 660 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [0,2,0,0,0,0|1,0,0]=3 661 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [0,2,0,0,0,0|1,0,0]=3 662 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [0,2,0,0,0,0|1,0,0]=3 663 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [0,2,0,0,0,0|1,0,0]=3 664 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [0,2,0,0,0,0|1,0,0]=3 665 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [0,2,0,0,0,0|1,0,0]=3 666 B9R0.34 CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0073 [0,2,0,0,0,0|2,0,0]=4 667 B9R0.34 CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0073 [0,2,0,0,0,0|2,0,0]=4 668 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [0,2,0,0,0,0|2,0,0]=4 669 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [0,2,0,0,0,0|2,0,0]=4 670 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|0,0,0]=2 671 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|0,0,0]=2 672 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,0]=3 673 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|1,0,0]=3 674 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 675 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|1,0,1]=4 676 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,2,0,0,0,0|0,0,0]=2 677 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,2,0,0,0,0|0,0,0]=2 678 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,2,0,0,0,0|0,0,0]=2 679 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,2,0,0,0,0|0,0,0]=2 680 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,2,0,0,0,0|0,0,0]=2 681 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,2,0,0,0,0|0,0,0]=2 682 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|1,0,1]=4 683 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|1,0,1]=4 684 B9R0.34 CC[C@H](C)NC(=O)CC#N WXVL_AK00678SB0057 [0,2,0,0,0,0|1,0,1]=4 685 B9R0.34 CC[C@H](C)NC(=O)CC#N WXVL_AK00678SB0057 [0,2,0,0,0,0|1,0,1]=4 686 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [0,2,0,0,0,0|1,0,0]=3 687 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [0,2,0,0,0,0|1,0,0]=3 688 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [0,2,0,0,0,0|1,0,0]=3 689 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [0,2,0,0,0,0|1,0,0]=3 690 B9R0.34 COCC(=O)N[C@@H](C)CF WXVL_AK00558SB0090 [0,2,0,0,0,0|2,0,0]=4 691 B9R0.34 COCC(=O)N[C@@H](C)CF WXVL_AK00558SB0090 [0,2,0,0,0,0|2,0,0]=4 692 B9R0.34 COCC(=O)N[C@@H](C)CO WXVL_AK0109SB0090 [0,2,0,0,0,0|2,0,0]=4 693 B9R0.34 COCC(=O)N[C@@H](C)CO WXVL_AK0109SB0090 [0,2,0,0,0,0|2,0,0]=4 694 B9R0.34 COC[C@@H](C)NC(=O)CO WXVL_AK00613SB2706 [0,2,0,0,0,0|2,0,0]=4 695 B9R0.34 COC[C@@H](C)NC(=O)CO WXVL_AK00613SB2706 [0,2,0,0,0,0|2,0,0]=4 696 B9R0.34 COC[C@H](C)NC(=O)CO WXVL_AK0137SB2706 [0,2,0,0,0,0|2,0,0]=4 697 B9R0.34 COC[C@H](C)NC(=O)CO WXVL_AK0137SB2706 [0,2,0,0,0,0|2,0,0]=4 698 B9R0.34 CSCC(=O)N[C@@H](C)CF WXVL_AK00558SB1267 [0,2,0,0,0,0|2,0,0]=4 699 B9R0.34 CSCC(=O)N[C@@H](C)CF WXVL_AK00558SB1267 [0,2,0,0,0,0|2,0,0]=4 700 B9R0.34 CSCC(=O)N[C@@H](C)CO WXVL_AK0109SB1267 [0,2,0,0,0,0|2,0,0]=4 701 B9R0.34 CSCC(=O)N[C@@H](C)CO WXVL_AK0109SB1267 [0,2,0,0,0,0|2,0,0]=4 702 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,2,0,0,0,0|0,0,2]=4 703 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,2,0,0,0,0|0,0,2]=4 704 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,2,0,0,0,0|2,0,0]=4 705 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,2,0,0,0,0|2,0,0]=4 706 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,2,0,0,0,0|0,0,0]=2 707 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,2,0,0,0,0|0,0,0]=2 708 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,2,0,0,0,0|0,0,0]=2 709 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,2,0,0,0,0|0,0,0]=2 710 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,2,0,0,0,0|1,0,1]=4 711 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,2,0,0,0,0|1,0,1]=4 712 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,2,0,0,0,0|2,0,0]=4 713 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,2,0,0,0,0|2,0,0]=4 714 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.48 C#CCC(=O)NCC(C)C WXVL_AK00544SB3070 [0,2,0,0,0,0|1,0,1]=4 717 B9R0.48 C#CCC(=O)NCC(C)C WXVL_AK00544SB3070 [0,2,0,0,0,0|1,0,1]=4 718 B9R0.48 C#CCC(=O)NCC(C)O WXVL_AK0052SB3070 [0,2,0,0,0,0|1,0,1]=4 719 B9R0.48 C#CCC(=O)NCC(C)O WXVL_AK0052SB3070 [0,2,0,0,0,0|1,0,1]=4 720 B9R0.48 C#CCC(=O)NC[C@H](C)O WXVL_AK0113SB3070 [0,2,0,0,0,0|1,0,1]=4 721 B9R0.48 C#CCC(=O)NC[C@H](C)O WXVL_AK0113SB3070 [0,2,0,0,0,0|1,0,1]=4 722 B9R0.48 C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0340 [0,2,0,0,0,0|1,0,1]=4 723 B9R0.48 C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0340 [0,2,0,0,0,0|1,0,1]=4 724 B9R0.48 C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0340 [0,2,0,0,0,0|1,0,1]=4 725 B9R0.48 C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0340 [0,2,0,0,0,0|1,0,1]=4 726 B9R0.48 C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0340 [0,2,0,0,0,0|1,0,1]=4 727 B9R0.48 C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0340 [0,2,0,0,0,0|1,0,1]=4 728 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,1]=4 729 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,1]=4 730 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|1,0,1]=4 731 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|1,0,1]=4 732 B9R0.48 C=C(C)CNC(=O)CSC WXVL_AK0761SB1267 [0,2,0,0,0,0|1,0,1]=4 733 B9R0.48 C=C(C)CNC(=O)CSC WXVL_AK0761SB1267 [0,2,0,0,0,0|1,0,1]=4 734 B9R0.48 C=CCC(=O)NCC(C)C WXVL_AK00544SB2732 [0,2,0,0,0,0|1,0,1]=4 735 B9R0.48 C=CCC(=O)NCC(C)C WXVL_AK00544SB2732 [0,2,0,0,0,0|1,0,1]=4 736 B9R0.48 C=CCC(=O)NCC(C)O WXVL_AK0052SB2732 [0,2,0,0,0,0|1,0,1]=4 737 B9R0.48 C=CCC(=O)NCC(C)O WXVL_AK0052SB2732 [0,2,0,0,0,0|1,0,1]=4 738 B9R0.48 C=CCC(=O)NC[C@H](C)O WXVL_AK0113SB2732 [0,2,0,0,0,0|1,0,1]=4 739 B9R0.48 C=CCC(=O)NC[C@H](C)O WXVL_AK0113SB2732 [0,2,0,0,0,0|1,0,1]=4 740 B9R0.48 CC#CC(=O)NCC(C)C WXVL_AK00544SB1240 [0,2,0,0,0,0|1,0,1]=4 741 B9R0.48 CC#CC(=O)NCC(C)C WXVL_AK00544SB1240 [0,2,0,0,0,0|1,0,1]=4 742 B9R0.48 CC#CC(=O)NCC(C)O WXVL_AK0052SB1240 [0,2,0,0,0,0|1,0,1]=4 743 B9R0.48 CC#CC(=O)NCC(C)O WXVL_AK0052SB1240 [0,2,0,0,0,0|1,0,1]=4 744 B9R0.48 CC#CC(=O)NC[C@H](C)O WXVL_AK0113SB1240 [0,2,0,0,0,0|1,0,1]=4 745 B9R0.48 CC#CC(=O)NC[C@H](C)O WXVL_AK0113SB1240 [0,2,0,0,0,0|1,0,1]=4 746 B9R0.48 CC(C)CNC(=O)CC#N WXVL_AK00544SB0057 [0,2,0,0,0,0|1,0,1]=4 747 B9R0.48 CC(C)CNC(=O)CC#N WXVL_AK00544SB0057 [0,2,0,0,0,0|1,0,1]=4 748 B9R0.48 CC(O)CNC(=O)CC#N WXVL_AK0052SB0057 [0,2,0,0,0,0|1,0,1]=4 749 B9R0.48 CC(O)CNC(=O)CC#N WXVL_AK0052SB0057 [0,2,0,0,0,0|1,0,1]=4 750 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [0,2,0,0,0,0|1,0,0]=3 751 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [0,2,0,0,0,0|1,0,0]=3 752 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|1,0,0]=3 753 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|1,0,0]=3 754 B9R0.48 CCCC(=O)NCC(F)F WXVL_AK0136SB0073 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.48 CCCC(=O)NCC(F)F WXVL_AK0136SB0073 [0,2,0,0,0,0|2,0,0]=4 756 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|1,0,0]=3 757 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|1,0,0]=3 758 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [0,2,0,0,0,0|0,0,2]=4 759 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [0,2,0,0,0,0|0,0,2]=4 760 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|0,0,1]=3 761 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|0,0,1]=3 762 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,2,0,0,0,0|1,0,1]=4 763 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,2,0,0,0,0|1,0,1]=4 764 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,2,0,0,0,0|0,0,0]=2 765 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,2,0,0,0,0|0,0,0]=2 766 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,2,0,0,0,0|1,0,0]=3 767 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,2,0,0,0,0|1,0,0]=3 768 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,2,0,0,0,0|1,0,1]=4 769 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,2,0,0,0,0|1,0,1]=4 770 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,2,0,0,0,0|1,0,1]=4 771 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,2,0,0,0,0|1,0,1]=4 772 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [0,2,0,0,0,0|1,0,0]=3 773 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [0,2,0,0,0,0|1,0,0]=3 774 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,2,0,0,0,0|1,0,1]=4 775 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,2,0,0,0,0|1,0,1]=4 776 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [0,2,0,0,0,0|1,0,0]=3 777 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [0,2,0,0,0,0|1,0,0]=3 778 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [0,2,0,0,0,0|1,0,0]=3 779 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [0,2,0,0,0,0|1,0,0]=3 780 B9R0.48 COCC(=O)NCC(F)F WXVL_AK0136SB0090 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.48 COCC(=O)NCC(F)F WXVL_AK0136SB0090 [0,2,0,0,0,0|2,0,0]=4 782 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [0,2,0,0,0,0|1,0,0]=3 783 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [0,2,0,0,0,0|1,0,0]=3 784 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [0,2,0,0,0,0|1,0,0]=3 785 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [0,2,0,0,0,0|1,0,0]=3 786 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [0,2,0,0,0,0|1,0,0]=3 787 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [0,2,0,0,0,0|1,0,0]=3 788 B9R0.48 CSCC(=O)NCC(F)F WXVL_AK0136SB1267 [0,2,0,0,0,0|2,0,0]=4 789 B9R0.48 CSCC(=O)NCC(F)F WXVL_AK0136SB1267 [0,2,0,0,0,0|2,0,0]=4 790 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [0,2,0,0,0,0|1,0,0]=3 791 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [0,2,0,0,0,0|1,0,0]=3 792 B9R0.48 C[C@H](O)CNC(=O)CC#N WXVL_AK0113SB0057 [0,2,0,0,0,0|1,0,1]=4 793 B9R0.48 C[C@H](O)CNC(=O)CC#N WXVL_AK0113SB0057 [0,2,0,0,0,0|1,0,1]=4 794 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [0,2,0,0,0,0|1,0,0]=3 795 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [0,2,0,0,0,0|1,0,0]=3 796 B9R0.66 CCCNS(=O)(=O)CCBr WXVL_AK00504HU0461 [0,2,0,0,0,0|2,0,0]=4 797 B9R0.66 CCCNS(=O)(=O)CCBr WXVL_AK00504HU0461 [0,2,0,0,0,0|2,0,0]=4 798 B9R0.66 CCCNS(=O)(=O)CCC WXVL_AK00504HU0030 [0,2,0,0,0,0|2,0,0]=4 799 B9R0.66 CCCNS(=O)(=O)CCC WXVL_AK00504HU0030 [0,2,0,0,0,0|2,0,0]=4 800 B9R0.66 CCCNS(=O)(=O)CCCl WXVL_AK00504HU0029 [0,2,0,0,0,0|2,0,0]=4 801 B9R0.66 CCCNS(=O)(=O)CCCl WXVL_AK00504HU0029 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.66 CCNS(=O)(=O)CCCCl WXVL_AK00476HU0162 [0,2,0,0,0,0|2,0,0]=4 803 B9R0.66 CCNS(=O)(=O)CCCCl WXVL_AK00476HU0162 [0,2,0,0,0,0|2,0,0]=4 804 B9R0.66 CCNS(=O)(=O)CCOC WXVL_AK00476HU0155 [0,2,0,0,0,0|2,0,0]=4 805 B9R0.66 CCNS(=O)(=O)CCOC WXVL_AK00476HU0155 [0,2,0,0,0,0|2,0,0]=4 806 B9R0.6 CC(C)C(=O)N(C)CCO WXVL_AN2670SB0052 [0,2,0,0,0,0|2,0,0]=4 807 B9R0.6 CC(C)C(=O)N(C)CCO WXVL_AN2670SB0052 [0,2,0,0,0,0|2,0,0]=4 808 B9R0.6 CC(S)C(=O)N(C)CCO WXVL_AN2670SB2708 [0,2,0,0,0,0|2,0,0]=4 809 B9R0.6 CC(S)C(=O)N(C)CCO WXVL_AN2670SB2708 [0,2,0,0,0,0|2,0,0]=4 810 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [0,2,0,0,0,0|1,0,0]=3 811 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [0,2,0,0,0,0|1,0,0]=3 812 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [0,2,0,0,0,0|1,0,0]=3 813 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [0,2,0,0,0,0|1,0,0]=3 814 B9R0.6 CCNC(=O)C(=O)C(C)C WXVL_AK00476SB2578 [0,2,0,0,0,0|1,0,1]=4 815 B9R0.6 CCNC(=O)C(=O)C(C)C WXVL_AK00476SB2578 [0,2,0,0,0,0|1,0,1]=4 816 B9R0.6 C[C@@H](O)C(=O)N(C)CCO WXVL_AN2670SB1085 [0,2,0,0,0,0|2,0,0]=4 817 B9R0.6 C[C@@H](O)C(=O)N(C)CCO WXVL_AN2670SB1085 [0,2,0,0,0,0|2,0,0]=4 818 B9R0.12 CCC(=O)N(CC)CCO WXVL_AN3174SB0064 [0,2,0,0,0,0|2,0,0]=4 819 B9R0.23 CCC(=O)C(=O)NC(C)C WXVL_AK0030SB0344 [0,2,0,0,0,0|1,0,1]=4 820 B9R0.23 CCC(=O)C(=O)NC(C)C WXVL_AK0030SB0344 [0,2,0,0,0,0|1,0,1]=4 821 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [0,2,0,0,0,0|1,0,0]=3 822 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [0,2,0,0,0,0|1,0,0]=3 823 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [0,2,0,0,0,0|1,0,0]=3 824 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [0,2,0,0,0,0|1,0,0]=3 825 B9R0.60 CNC(=O)C(C)(C)CSC WXVL_AK00442SBF473 [0,2,0,0,0,0|2,0,0]=4 826 B9R0.60 CNC(=O)C(C)(C)CSC WXVL_AK00442SBF473 [0,2,0,0,0,0|2,0,0]=4 827 B9R0.1 C#CC(=O)NCCC(C)C WXVL_AK0068SB0338 [0,2,0,0,0,0|0,0,2]=4 828 B9R0.1 C#CC(=O)NCCC(C)C WXVL_AK0068SB0338 [0,2,0,0,0,0|0,0,2]=4 829 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,0]=3 830 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|1,0,0]=3 831 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,2,0,0,0,0|1,0,1]=4 832 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,2,0,0,0,0|1,0,1]=4 833 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|0,0,0]=2 834 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|0,0,0]=2 835 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [0,2,0,0,0,0|1,0,0]=3 836 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [0,2,0,0,0,0|1,0,0]=3 837 B9R0.1 CN(C)CCNC(=O)CO WXVL_AK0058SB2706 [0,2,0,0,0,0|2,0,0]=4 838 B9R0.1 CN(C)CCNC(=O)CO WXVL_AK0058SB2706 [0,2,0,0,0,0|2,0,0]=4 839 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|1,0,1]=4 840 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|1,0,1]=4 841 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|1,0,0]=3 842 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|1,0,0]=3 843 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [0,2,0,0,0,0|1,0,0]=3 844 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [0,2,0,0,0,0|1,0,0]=3 845 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [0,2,0,0,0,0|1,0,1]=4 846 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [0,2,0,0,0,0|1,0,1]=4 847 B9R0.20 CCCCNS(=O)(=O)CC WXVL_AK00588HU0028 [0,2,0,0,0,0|1,0,0]=3 848 B9R0.20 CCCCNS(=O)(=O)CC WXVL_AK00588HU0028 [0,2,0,0,0,0|1,0,0]=3 849 B9R0.20 CCOCCS(=O)(=O)NC WXVL_AK00442HU0315 [0,2,0,0,0,0|2,0,0]=4 850 B9R0.20 CCOCCS(=O)(=O)NC WXVL_AK00442HU0315 [0,2,0,0,0,0|2,0,0]=4 851 B9R0.20 CCS(=O)(=O)NCCCO WXVL_AK0073HU0028 [0,2,0,0,0,0|2,0,0]=4 852 B9R0.20 CCS(=O)(=O)NCCCO WXVL_AK0073HU0028 [0,2,0,0,0,0|2,0,0]=4 853 B9R0.20 CCS(=O)(=O)NCCSC WXVL_AK00440HU0028 [0,2,0,0,0,0|2,0,0]=4 854 B9R0.20 CCS(=O)(=O)NCCSC WXVL_AK00440HU0028 [0,2,0,0,0,0|2,0,0]=4 855 B9R0.20 CNS(=O)(=O)CCCCCl WXVL_AK00442HU0456 [0,2,0,0,0,0|2,0,0]=4 856 B9R0.20 CNS(=O)(=O)CCCCCl WXVL_AK00442HU0456 [0,2,0,0,0,0|2,0,0]=4 857 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 858 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 859 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [0,2,0,0,0,0|1,0,0]=3 860 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [0,2,0,0,0,0|1,0,0]=3 861 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [0,2,0,0,0,0|1,0,0]=3 862 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [0,2,0,0,0,0|1,0,0]=3 863 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [0,2,0,0,0,0|1,0,0]=3 864 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [0,2,0,0,0,0|1,0,0]=3 865 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [0,2,0,0,0,0|1,0,1]=4 866 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [0,2,0,0,0,0|1,0,1]=4 867 B9R0.24 CO[C@H](C)CNC(=O)CO WXVL_AK00704SB2706 [0,2,0,0,0,0|2,0,0]=4 868 B9R0.24 CO[C@H](C)CNC(=O)CO WXVL_AK00704SB2706 [0,2,0,0,0,0|2,0,0]=4 869 B9R0.24 O=C(CO)NC[C@@H](F)CO WXVL_AK00590SB2706 [0,2,0,0,0,0|2,0,0]=4 870 B9R0.24 O=C(CO)NC[C@@H](F)CO WXVL_AK00590SB2706 [0,2,0,0,0,0|2,0,0]=4 871 B9R0.24 O=C(CO)NC[C@H](O)CO WXVL_AK00483SB2706 [0,2,0,0,0,0|2,0,0]=4 872 B9R0.24 O=C(CO)NC[C@H](O)CO WXVL_AK00483SB2706 [0,2,0,0,0,0|2,0,0]=4 873 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [0,2,0,0,0,0|0,0,2]=4 874 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [0,2,0,0,0,0|0,0,2]=4 875 B9R0.46 C#CC(=O)NCCCCO WXVL_AK0075SB0338 [0,2,0,0,0,0|0,0,2]=4 876 B9R0.46 C#CC(=O)NCCCCO WXVL_AK0075SB0338 [0,2,0,0,0,0|0,0,2]=4 877 B9R0.46 C#CC(=O)NCCCOC WXVL_AK00637SB0338 [0,2,0,0,0,0|0,0,2]=4 878 B9R0.46 C#CC(=O)NCCCOC WXVL_AK00637SB0338 [0,2,0,0,0,0|0,0,2]=4 879 B9R0.46 C#CC(=O)NCCCSC WXVL_AK0965SB0338 [0,2,0,0,0,0|0,0,2]=4 880 B9R0.46 C#CC(=O)NCCCSC WXVL_AK0965SB0338 [0,2,0,0,0,0|0,0,2]=4 881 B9R0.46 C#CC(=O)NCCSCC WXVL_AK00494SB0338 [0,2,0,0,0,0|0,0,2]=4 882 B9R0.46 C#CC(=O)NCCSCC WXVL_AK00494SB0338 [0,2,0,0,0,0|0,0,2]=4 883 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [0,2,0,0,0,0|0,0,1]=3 884 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [0,2,0,0,0,0|0,0,1]=3 885 B9R0.46 C#CCCCNC(=O)CO WXVL_AK00218SB2706 [0,2,0,0,0,0|1,0,1]=4 886 B9R0.46 C#CCCCNC(=O)CO WXVL_AK00218SB2706 [0,2,0,0,0,0|1,0,1]=4 887 B9R0.46 C#CCOCCC(=O)NC WXVL_AK00442SBD927 [0,2,0,0,0,0|1,0,1]=4 888 B9R0.46 C#CCOCCC(=O)NC WXVL_AK00442SBD927 [0,2,0,0,0,0|1,0,1]=4 889 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|0,0,0]=2 890 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|0,0,0]=2 891 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|0,0,0]=2 892 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|0,0,0]=2 893 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|0,0,0]=2 894 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|0,0,0]=2 895 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|0,0,0]=2 896 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|0,0,0]=2 897 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|1,0,0]=3 898 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|1,0,0]=3 899 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|0,0,0]=2 900 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|0,0,0]=2 901 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,0]=3 902 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|1,0,0]=3 903 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|1,0,0]=3 904 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|1,0,0]=3 905 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|1,0,0]=3 906 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|1,0,0]=3 907 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,0]=3 908 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,0]=3 909 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,0]=3 910 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|1,0,0]=3 911 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,0]=3 912 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|1,0,0]=3 913 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,0]=3 914 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|1,0,0]=3 915 B9R0.47 C#CCCCC(=O)N(C)C WXVL_AN0032SB2709 [0,2,0,0,0,0|1,0,1]=4 916 B9R0.47 C#CCCCC(=O)N(C)C WXVL_AN0032SB2709 [0,2,0,0,0,0|1,0,1]=4 917 B9R0.47 C#CCCNC(=O)C(C)C WXVL_AK3109SB0052 [0,2,0,0,0,0|0,0,2]=4 918 B9R0.47 C#CCCNC(=O)C(C)C WXVL_AK3109SB0052 [0,2,0,0,0,0|0,0,2]=4 919 B9R0.47 C#CCCNC(=O)C(C)S WXVL_AK3109SB2708 [0,2,0,0,0,0|0,0,2]=4 920 B9R0.47 C#CCCNC(=O)C(C)S WXVL_AK3109SB2708 [0,2,0,0,0,0|0,0,2]=4 921 B9R0.47 C#CCCNC(=O)[C@@H](C)O WXVL_AK3109SB1085 [0,2,0,0,0,0|0,0,2]=4 922 B9R0.47 C#CCCNC(=O)[C@@H](C)O WXVL_AK3109SB1085 [0,2,0,0,0,0|0,0,2]=4 923 B9R0.47 C=C(F)C(=O)NCCCC WXVL_AK00588SB1376 [0,2,0,0,0,0|0,0,2]=4 924 B9R0.47 C=C(F)C(=O)NCCCC WXVL_AK00588SB1376 [0,2,0,0,0,0|0,0,2]=4 925 B9R0.47 C=CCCCC(=O)N(C)C WXVL_AN0032SB2920 [0,2,0,0,0,0|1,0,1]=4 926 B9R0.47 C=CCCCC(=O)N(C)C WXVL_AN0032SB2920 [0,2,0,0,0,0|1,0,1]=4 927 B9R0.47 C=CCCNC(=O)C(C)C WXVL_AK00138SB0052 [0,2,0,0,0,0|0,0,2]=4 928 B9R0.47 C=CCCNC(=O)C(C)C WXVL_AK00138SB0052 [0,2,0,0,0,0|0,0,2]=4 929 B9R0.47 C=CCCNC(=O)C(C)S WXVL_AK00138SB2708 [0,2,0,0,0,0|0,0,2]=4 930 B9R0.47 C=CCCNC(=O)C(C)S WXVL_AK00138SB2708 [0,2,0,0,0,0|0,0,2]=4 931 B9R0.47 C=CCCNC(=O)[C@@H](C)O WXVL_AK00138SB1085 [0,2,0,0,0,0|0,0,2]=4 932 B9R0.47 C=CCCNC(=O)[C@@H](C)O WXVL_AK00138SB1085 [0,2,0,0,0,0|0,0,2]=4 933 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|1,0,1]=4 934 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|1,0,1]=4 935 B9R0.47 CC(C)C(=O)NCCC#N WXVL_AK0087SB0052 [0,2,0,0,0,0|1,0,1]=4 936 B9R0.47 CC(C)C(=O)NCCC#N WXVL_AK0087SB0052 [0,2,0,0,0,0|1,0,1]=4 937 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [0,2,0,0,0,0|1,0,0]=3 938 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [0,2,0,0,0,0|1,0,0]=3 939 B9R0.47 CC(S)C(=O)NCCC#N WXVL_AK0087SB2708 [0,2,0,0,0,0|1,0,1]=4 940 B9R0.47 CC(S)C(=O)NCCC#N WXVL_AK0087SB2708 [0,2,0,0,0,0|1,0,1]=4 941 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [0,2,0,0,0,0|1,0,0]=3 942 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [0,2,0,0,0,0|1,0,0]=3 943 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,2,0,0,0,0|1,0,1]=4 944 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,2,0,0,0,0|1,0,1]=4 945 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|0,0,1]=3 946 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|0,0,1]=3 947 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,2,0,0,0,0|1,0,1]=4 948 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,2,0,0,0,0|1,0,1]=4 949 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|0,0,0]=2 950 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|0,0,0]=2 951 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|0,0,0]=2 952 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|0,0,0]=2 953 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [0,2,0,0,0,0|1,0,0]=3 954 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [0,2,0,0,0,0|1,0,0]=3 955 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|0,0,0]=2 956 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|0,0,0]=2 957 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [0,2,0,0,0,0|1,0,0]=3 958 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [0,2,0,0,0,0|1,0,0]=3 959 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [0,2,0,0,0,0|1,0,0]=3 960 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [0,2,0,0,0,0|1,0,0]=3 961 B9R0.47 CN(C)C(=O)NCCCCl WXVL_AN0032YV0130 [0,2,0,0,0,0|2,0,0]=4 962 B9R0.47 CN(C)C(=O)NCCCCl WXVL_AN0032YV0130 [0,2,0,0,0,0|2,0,0]=4 963 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|1,0,1]=4 964 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|1,0,1]=4 965 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [0,2,0,0,0,0|1,0,0]=3 966 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [0,2,0,0,0,0|1,0,0]=3 967 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [0,2,0,0,0,0|1,0,0]=3 968 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [0,2,0,0,0,0|1,0,0]=3 969 B9R0.47 CSCCNC(=O)C(F)F WXVL_AK00440SB0079 [0,2,0,0,0,0|2,0,0]=4 970 B9R0.47 CSCCNC(=O)C(F)F WXVL_AK00440SB0079 [0,2,0,0,0,0|2,0,0]=4 971 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [0,2,0,0,0,0|1,0,0]=3 972 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [0,2,0,0,0,0|1,0,0]=3 973 B9R0.47 C[C@@H](O)C(=O)NCCC#N WXVL_AK0087SB1085 [0,2,0,0,0,0|1,0,1]=4 974 B9R0.47 C[C@@H](O)C(=O)NCCC#N WXVL_AK0087SB1085 [0,2,0,0,0,0|1,0,1]=4 975 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [0,2,0,0,0,0|1,0,0]=3 976 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [0,2,0,0,0,0|1,0,0]=3 977 B9R0.47 O=C(NCCCO)C(F)F WXVL_AK0073SB0079 [0,2,0,0,0,0|2,0,0]=4 978 B9R0.47 O=C(NCCCO)C(F)F WXVL_AK0073SB0079 [0,2,0,0,0,0|2,0,0]=4 979 B9R0.3 CC(C)(Br)C(=O)NCCF WXVL_AK00466SB0432 [0,2,0,0,0,0|2,0,0]=4 980 B9R0.3 CC(C)(Br)C(=O)NCCF WXVL_AK00466SB0432 [0,2,0,0,0,0|2,0,0]=4 981 B9R0.3 CC(C)(C)C(=O)NCCF WXVL_AK00466SB0078 [0,2,0,0,0,0|2,0,0]=4 982 B9R0.3 CC(C)(C)C(=O)NCCF WXVL_AK00466SB0078 [0,2,0,0,0,0|2,0,0]=4 983 B9R0.3 CC(C)(F)C(=O)NCCF WXVL_AK00466SB0199 [0,2,0,0,0,0|2,0,0]=4 984 B9R0.3 CC(C)(F)C(=O)NCCF WXVL_AK00466SB0199 [0,2,0,0,0,0|2,0,0]=4 985 B9R0.3 CC(C)(O)C(=O)NCCF WXVL_AK00466SB0125 [0,2,0,0,0,0|2,0,0]=4 986 B9R0.3 CC(C)(O)C(=O)NCCF WXVL_AK00466SB0125 [0,2,0,0,0,0|2,0,0]=4 987 B9R0.3 CC(F)(F)C(=O)NCCF WXVL_AK00466SB0197 [0,2,0,0,0,0|2,0,0]=4 988 B9R0.3 CC(F)(F)C(=O)NCCF WXVL_AK00466SB0197 [0,2,0,0,0,0|2,0,0]=4 989 B9R0.3 CCCNC(=O)C(C)(C)Br WXVL_AK00504SB0432 [0,2,0,0,0,0|1,0,0]=3 990 B9R0.3 CCCNC(=O)C(C)(C)Br WXVL_AK00504SB0432 [0,2,0,0,0,0|1,0,0]=3 991 B9R0.3 CCCNC(=O)C(C)(C)C WXVL_AK00504SB0078 [0,2,0,0,0,0|1,0,0]=3 992 B9R0.3 CCCNC(=O)C(C)(C)C WXVL_AK00504SB0078 [0,2,0,0,0,0|1,0,0]=3 993 B9R0.3 CCCNC(=O)C(C)(C)F WXVL_AK00504SB0199 [0,2,0,0,0,0|1,0,0]=3 994 B9R0.3 CCCNC(=O)C(C)(C)F WXVL_AK00504SB0199 [0,2,0,0,0,0|1,0,0]=3 995 B9R0.3 CCCNC(=O)C(C)(C)O WXVL_AK00504SB0125 [0,2,0,0,0,0|1,0,0]=3 996 B9R0.3 CCCNC(=O)C(C)(C)O WXVL_AK00504SB0125 [0,2,0,0,0,0|1,0,0]=3 997 B9R0.3 CCCNC(=O)C(C)(F)F WXVL_AK00504SB0197 [0,2,0,0,0,0|1,0,0]=3 998 B9R0.3 CCCNC(=O)C(C)(F)F WXVL_AK00504SB0197 [0,2,0,0,0,0|1,0,0]=3 999 B9R0.3 CCCNC(=O)C(Cl)(Cl)Cl WXVL_AK00504SB0416 [0,2,0,0,0,0|2,0,0]=4 1000 B9R0.3 CCCNC(=O)C(Cl)(Cl)Cl WXVL_AK00504SB0416 [0,2,0,0,0,0|2,0,0]=4 1001 B9R0.3 CCCNC(=O)C(F)(F)Cl WXVL_AK00504SB3129 [0,2,0,0,0,0|2,0,0]=4 1002 B9R0.3 CCCNC(=O)C(F)(F)Cl WXVL_AK00504SB3129 [0,2,0,0,0,0|2,0,0]=4 1003 B9R0.7 C=C(C)CNC(=O)C(C)C WXVL_AK0761SB0052 [0,2,0,0,0,0|1,0,1]=4 1004 B9R0.7 C=C(C)CNC(=O)C(C)C WXVL_AK0761SB0052 [0,2,0,0,0,0|1,0,1]=4 1005 B9R0.7 C=C(C)CNC(=O)C(C)S WXVL_AK0761SB2708 [0,2,0,0,0,0|1,0,1]=4 1006 B9R0.7 C=C(C)CNC(=O)C(C)S WXVL_AK0761SB2708 [0,2,0,0,0,0|1,0,1]=4 1007 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O WXVL_AK0761SB1085 [0,2,0,0,0,0|1,0,1]=4 1008 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O WXVL_AK0761SB1085 [0,2,0,0,0,0|1,0,1]=4 1009 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|1,0,1]=4 1010 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|1,0,1]=4 1011 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|1,0,1]=4 1012 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|1,0,1]=4 1013 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|1,0,1]=4 1014 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|1,0,1]=4 1015 B9R0.7 CC(=O)CCC(=O)N(C)C WXVL_AN0032SB0072 [0,2,0,0,0,0|1,0,1]=4 1016 B9R0.7 CC(=O)CCC(=O)N(C)C WXVL_AN0032SB0072 [0,2,0,0,0,0|1,0,1]=4 1017 B9R0.7 CC(C)C(=O)NCC(F)F WXVL_AK0136SB0052 [0,2,0,0,0,0|2,0,0]=4 1018 B9R0.7 CC(C)C(=O)NCC(F)F WXVL_AK0136SB0052 [0,2,0,0,0,0|2,0,0]=4 1019 B9R0.7 CC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0052 [0,2,0,0,0,0|1,0,0]=3 1020 B9R0.7 CC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0052 [0,2,0,0,0,0|1,0,0]=3 1021 B9R0.7 CC(C)CCC(=O)N(C)C WXVL_AN0032SB0354 [0,2,0,0,0,0|1,0,0]=3 1022 B9R0.7 CC(C)CCC(=O)N(C)C WXVL_AN0032SB0354 [0,2,0,0,0,0|1,0,0]=3 1023 B9R0.7 CC(C)CNC(=O)C(C)C WXVL_AK00544SB0052 [0,2,0,0,0,0|1,0,0]=3 1024 B9R0.7 CC(C)CNC(=O)C(C)C WXVL_AK00544SB0052 [0,2,0,0,0,0|1,0,0]=3 1025 B9R0.7 CC(C)CNC(=O)C(C)S WXVL_AK00544SB2708 [0,2,0,0,0,0|1,0,0]=3 1026 B9R0.7 CC(C)CNC(=O)C(C)S WXVL_AK00544SB2708 [0,2,0,0,0,0|1,0,0]=3 1027 B9R0.7 CC(C)CNC(=O)C(F)F WXVL_AK00544SB0079 [0,2,0,0,0,0|2,0,0]=4 1028 B9R0.7 CC(C)CNC(=O)C(F)F WXVL_AK00544SB0079 [0,2,0,0,0,0|2,0,0]=4 1029 B9R0.7 CC(C)CNC(=O)[C@@H](C)O WXVL_AK00544SB1085 [0,2,0,0,0,0|1,0,0]=3 1030 B9R0.7 CC(C)CNC(=O)[C@@H](C)O WXVL_AK00544SB1085 [0,2,0,0,0,0|1,0,0]=3 1031 B9R0.7 CC(C)OCC(=O)N(C)C WXVL_AN0032SB0213 [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.7 CC(C)OCC(=O)N(C)C WXVL_AN0032SB0213 [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.7 CC(O)CNC(=O)C(C)C WXVL_AK0052SB0052 [0,2,0,0,0,0|1,0,0]=3 1034 B9R0.7 CC(O)CNC(=O)C(C)C WXVL_AK0052SB0052 [0,2,0,0,0,0|1,0,0]=3 1035 B9R0.7 CC(O)CNC(=O)C(C)S WXVL_AK0052SB2708 [0,2,0,0,0,0|1,0,0]=3 1036 B9R0.7 CC(O)CNC(=O)C(C)S WXVL_AK0052SB2708 [0,2,0,0,0,0|1,0,0]=3 1037 B9R0.7 CC(O)CNC(=O)C(F)F WXVL_AK0052SB0079 [0,2,0,0,0,0|2,0,0]=4 1038 B9R0.7 CC(O)CNC(=O)C(F)F WXVL_AK0052SB0079 [0,2,0,0,0,0|2,0,0]=4 1039 B9R0.7 CC(O)CNC(=O)[C@@H](C)O WXVL_AK0052SB1085 [0,2,0,0,0,0|1,0,0]=3 1040 B9R0.7 CC(O)CNC(=O)[C@@H](C)O WXVL_AK0052SB1085 [0,2,0,0,0,0|1,0,0]=3 1041 B9R0.7 CC(S)C(=O)NCC(F)F WXVL_AK0136SB2708 [0,2,0,0,0,0|2,0,0]=4 1042 B9R0.7 CC(S)C(=O)NCC(F)F WXVL_AK0136SB2708 [0,2,0,0,0,0|2,0,0]=4 1043 B9R0.7 CC(S)C(=O)NC[C@H](C)O WXVL_AK0113SB2708 [0,2,0,0,0,0|1,0,0]=3 1044 B9R0.7 CC(S)C(=O)NC[C@H](C)O WXVL_AK0113SB2708 [0,2,0,0,0,0|1,0,0]=3 1045 B9R0.7 CN(C)CCC(=O)N(C)C WXVL_AN0032SB00052 [0,2,0,0,0,0|2,0,0]=4 1046 B9R0.7 CN(C)CCC(=O)N(C)C WXVL_AN0032SB00052 [0,2,0,0,0,0|2,0,0]=4 1047 B9R0.7 C[C@@H](O)C(=O)NCC(F)F WXVL_AK0136SB1085 [0,2,0,0,0,0|2,0,0]=4 1048 B9R0.7 C[C@@H](O)C(=O)NCC(F)F WXVL_AK0136SB1085 [0,2,0,0,0,0|2,0,0]=4 1049 B9R0.7 C[C@H](O)CNC(=O)C(F)F WXVL_AK0113SB0079 [0,2,0,0,0,0|2,0,0]=4 1050 B9R0.7 C[C@H](O)CNC(=O)C(F)F WXVL_AK0113SB0079 [0,2,0,0,0,0|2,0,0]=4 1051 B9R0.7 C[C@H](O)CNC(=O)[C@@H](C)O WXVL_AK0113SB1085 [0,2,0,0,0,0|1,0,0]=3 1052 B9R0.7 C[C@H](O)CNC(=O)[C@@H](C)O WXVL_AK0113SB1085 [0,2,0,0,0,0|1,0,0]=3 1053 B9R0.42 CC(C)C(=O)N[C@@H](C)CF WXVL_AK00558SB0052 [0,2,0,0,0,0|2,0,0]=4 1054 B9R0.42 CC(C)C(=O)N[C@@H](C)CF WXVL_AK00558SB0052 [0,2,0,0,0,0|2,0,0]=4 1055 B9R0.42 CC(C)C(=O)N[C@@H](C)CO WXVL_AK0109SB0052 [0,2,0,0,0,0|2,0,0]=4 1056 B9R0.42 CC(C)C(=O)N[C@@H](C)CO WXVL_AK0109SB0052 [0,2,0,0,0,0|2,0,0]=4 1057 B9R0.42 CC(S)C(=O)N[C@@H](C)CF WXVL_AK00558SB2708 [0,2,0,0,0,0|2,0,0]=4 1058 B9R0.42 CC(S)C(=O)N[C@@H](C)CF WXVL_AK00558SB2708 [0,2,0,0,0,0|2,0,0]=4 1059 B9R0.42 CC(S)C(=O)N[C@@H](C)CO WXVL_AK0109SB2708 [0,2,0,0,0,0|2,0,0]=4 1060 B9R0.42 CC(S)C(=O)N[C@@H](C)CO WXVL_AK0109SB2708 [0,2,0,0,0,0|2,0,0]=4 1061 B9R0.42 CCC(C)CC(=O)N(C)C WXVL_AN0032SB0353 [0,2,0,0,0,0|1,0,0]=3 1062 B9R0.42 CCC(C)CC(=O)N(C)C WXVL_AN0032SB0353 [0,2,0,0,0,0|1,0,0]=3 1063 B9R0.42 CCC(O)CC(=O)N(C)C WXVL_AN0032SB4092 [0,2,0,0,0,0|1,0,0]=3 1064 B9R0.42 CCC(O)CC(=O)N(C)C WXVL_AN0032SB4092 [0,2,0,0,0,0|1,0,0]=3 1065 B9R0.42 CC[C@@H](C)CC(=O)N(C)C WXVL_AN0032SB8650 [0,2,0,0,0,0|1,0,0]=3 1066 B9R0.42 CC[C@@H](C)CC(=O)N(C)C WXVL_AN0032SB8650 [0,2,0,0,0,0|1,0,0]=3 1067 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|1,0,1]=4 1068 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|1,0,1]=4 1069 B9R0.42 CC[C@H](C)NC(=O)C(C)C WXVL_AK00678SB0052 [0,2,0,0,0,0|1,0,0]=3 1070 B9R0.42 CC[C@H](C)NC(=O)C(C)C WXVL_AK00678SB0052 [0,2,0,0,0,0|1,0,0]=3 1071 B9R0.42 CC[C@H](C)NC(=O)C(C)S WXVL_AK00678SB2708 [0,2,0,0,0,0|1,0,0]=3 1072 B9R0.42 CC[C@H](C)NC(=O)C(C)S WXVL_AK00678SB2708 [0,2,0,0,0,0|1,0,0]=3 1073 B9R0.42 CC[C@H](C)NC(=O)C(F)F WXVL_AK00678SB0079 [0,2,0,0,0,0|2,0,0]=4 1074 B9R0.42 CC[C@H](C)NC(=O)C(F)F WXVL_AK00678SB0079 [0,2,0,0,0,0|2,0,0]=4 1075 B9R0.42 CC[C@H](C)NC(=O)[C@@H](C)O WXVL_AK00678SB1085 [0,2,0,0,0,0|1,0,0]=3 1076 B9R0.42 CC[C@H](C)NC(=O)[C@@H](C)O WXVL_AK00678SB1085 [0,2,0,0,0,0|1,0,0]=3 1077 B9R0.42 CNC(=O)CN(C)C(C)C WXVL_AK00442SB0019 [0,2,0,0,0,0|2,0,0]=4 1078 B9R0.42 CNC(=O)CN(C)C(C)C WXVL_AK00442SB0019 [0,2,0,0,0,0|2,0,0]=4 1079 B9R0.42 C[C@@H](CF)NC(=O)[C@@H](C)O WXVL_AK00558SB1085 [0,2,0,0,0,0|2,0,0]=4 1080 B9R0.42 C[C@@H](CF)NC(=O)[C@@H](C)O WXVL_AK00558SB1085 [0,2,0,0,0,0|2,0,0]=4 1081 B9R0.42 C[C@@H](CO)NC(=O)[C@@H](C)O WXVL_AK0109SB1085 [0,2,0,0,0,0|2,0,0]=4 1082 B9R0.42 C[C@@H](CO)NC(=O)[C@@H](C)O WXVL_AK0109SB1085 [0,2,0,0,0,0|2,0,0]=4 1083 B9R0.51 CCCCS(=O)(=O)N(C)C WXVL_AN0032HU0031 [0,2,0,0,0,0|2,0,0]=4 1084 B9R0.51 CCCCS(=O)(=O)N(C)C WXVL_AN0032HU0031 [0,2,0,0,0,0|2,0,0]=4 1085 B9R0.51 CCCNS(=O)(=O)C(C)C WXVL_AK00504HU0023 [0,2,0,0,0,0|2,0,0]=4 1086 B9R0.51 CCCNS(=O)(=O)C(C)C WXVL_AK00504HU0023 [0,2,0,0,0,0|2,0,0]=4 1087 B9R0.21 CC(C)(C)CNC(=O)CO WXVL_AK00655SB2706 [0,2,0,0,0,0|2,0,0]=4 1088 B9R0.21 CC(C)(C)CNC(=O)CO WXVL_AK00655SB2706 [0,2,0,0,0,0|2,0,0]=4 1089 B9R0.21 CC(C)(F)CNC(=O)CO WXVL_AK00660SB2706 [0,2,0,0,0,0|2,0,0]=4 1090 B9R0.21 CC(C)(F)CNC(=O)CO WXVL_AK00660SB2706 [0,2,0,0,0,0|2,0,0]=4 1091 B9R0.21 CC(C)(O)CNC(=O)CO WXVL_AK0490SB2706 [0,2,0,0,0,0|2,0,0]=4 1092 B9R0.21 CC(C)(O)CNC(=O)CO WXVL_AK0490SB2706 [0,2,0,0,0,0|2,0,0]=4 1093 B9R0.21 CC(F)(F)CNC(=O)CO WXVL_AK0308SB2706 [0,2,0,0,0,0|2,0,0]=4 1094 B9R0.21 CC(F)(F)CNC(=O)CO WXVL_AK0308SB2706 [0,2,0,0,0,0|2,0,0]=4 1095 B9R0.21 CCC(=O)NCC(C)(C)C WXVL_AK00655SB0064 [0,2,0,0,0,0|1,0,0]=3 1096 B9R0.21 CCC(=O)NCC(C)(C)C WXVL_AK00655SB0064 [0,2,0,0,0,0|1,0,0]=3 1097 B9R0.21 CCC(=O)NCC(C)(C)F WXVL_AK00660SB0064 [0,2,0,0,0,0|1,0,0]=3 1098 B9R0.21 CCC(=O)NCC(C)(C)F WXVL_AK00660SB0064 [0,2,0,0,0,0|1,0,0]=3 1099 B9R0.21 CCC(=O)NCC(C)(C)O WXVL_AK0490SB0064 [0,2,0,0,0,0|1,0,0]=3 1100 B9R0.21 CCC(=O)NCC(C)(C)O WXVL_AK0490SB0064 [0,2,0,0,0,0|1,0,0]=3 1101 B9R0.21 CCC(=O)NCC(C)(F)F WXVL_AK0308SB0064 [0,2,0,0,0,0|1,0,0]=3 1102 B9R0.21 CCC(=O)NCC(C)(F)F WXVL_AK0308SB0064 [0,2,0,0,0,0|1,0,0]=3 1103 B9R0.21 CCC(=O)NCC(F)(F)F WXVL_AK00033SB0064 [0,2,0,0,0,0|2,0,0]=4 1104 B9R0.21 CCC(=O)NCC(F)(F)F WXVL_AK00033SB0064 [0,2,0,0,0,0|2,0,0]=4 1105 B9R0.21 CNC(=O)CCC(F)(F)F WXVL_AK00442SB0174 [0,2,0,0,0,0|2,0,0]=4 1106 B9R0.21 CNC(=O)CCC(F)(F)F WXVL_AK00442SB0174 [0,2,0,0,0,0|2,0,0]=4 1107 B9R0.21 CNC(=O)CCS(=O)(=O)C WXVL_AK00442SB0009 [0,2,0,0,0,0|2,0,0]=4 1108 B9R0.21 CNC(=O)CCS(=O)(=O)C WXVL_AK00442SB0009 [0,2,0,0,0,0|2,0,0]=4 1109 B9R0.21 CNC(=O)COC(C)(C)C WXVL_AK00442SB1440 [0,2,0,0,0,0|2,0,0]=4 1110 B9R0.21 CNC(=O)COC(C)(C)C WXVL_AK00442SB1440 [0,2,0,0,0,0|2,0,0]=4 1111 B9R0.64 CCS(=O)(=O)NCC(C)C WXVL_AK00544HU0028 [0,2,0,0,0,0|2,0,0]=4 1112 B9R0.64 CCS(=O)(=O)NCC(C)C WXVL_AK00544HU0028 [0,2,0,0,0,0|2,0,0]=4 1113 B9R0.64 CCS(=O)(=O)NCC(C)O WXVL_AK0052HU0028 [0,2,0,0,0,0|2,0,0]=4 1114 B9R0.64 CCS(=O)(=O)NCC(C)O WXVL_AK0052HU0028 [0,2,0,0,0,0|2,0,0]=4 1115 B9R0.64 CCS(=O)(=O)NC[C@H](C)O WXVL_AK0113HU0028 [0,2,0,0,0,0|2,0,0]=4 1116 B9R0.64 CCS(=O)(=O)NC[C@H](C)O WXVL_AK0113HU0028 [0,2,0,0,0,0|2,0,0]=4 1117 B9R0.26 C=C[C@@H](CO)NC(=O)CC WXVL_AK00581SB0064 [0,2,0,0,0,0|2,0,0]=4 1118 B9R0.26 C=C[C@@H](CO)NC(=O)CC WXVL_AK00581SB0064 [0,2,0,0,0,0|2,0,0]=4 1119 B9R0.26 CCC(=O)NC(CO)CO WXVL_AK0741SB0064 [0,2,0,0,0,0|2,0,0]=4 1120 B9R0.26 CCC(=O)NC(CO)CO WXVL_AK0741SB0064 [0,2,0,0,0,0|2,0,0]=4 1121 B9R0.26 CCC(=O)N[C@H](CC)CO WXVL_AK0111SB0064 [0,2,0,0,0,0|1,0,0]=3 1122 B9R0.26 CCC(=O)N[C@H](CC)CO WXVL_AK0111SB0064 [0,2,0,0,0,0|1,0,0]=3 1123 B9R0.26 CC[C@H](CO)NC(=O)CO WXVL_AK0111SB2706 [0,2,0,0,0,0|2,0,0]=4 1124 B9R0.26 CC[C@H](CO)NC(=O)CO WXVL_AK0111SB2706 [0,2,0,0,0,0|2,0,0]=4 1125 B9R0.22 CCC(=O)NC(C)(C)CO WXVL_AK0025SB0064 [0,2,0,0,0,0|2,0,0]=4 1126 B9R0.22 CCC(=O)NC(C)(C)CO WXVL_AK0025SB0064 [0,2,0,0,0,0|2,0,0]=4 1127 B9R0.22 CCS(=O)(=O)CC(=O)NC WXVL_AK00442SBD438 [0,2,0,0,0,0|2,0,0]=4 1128 B9R0.22 CCS(=O)(=O)CC(=O)NC WXVL_AK00442SBD438 [0,2,0,0,0,0|2,0,0]=4 1129 B9R0.22 CC[C@H](C)NS(=O)(=O)CC WXVL_AK00678HU0028 [0,2,0,0,0,0|2,0,0]=4 1130 B9R0.22 CC[C@H](C)NS(=O)(=O)CC WXVL_AK00678HU0028 [0,2,0,0,0,0|2,0,0]=4 1131 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|1,0,0]=3 1132 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|1,0,0]=3 1133 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|1,0,0]=3 1134 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|1,0,0]=3 1135 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [1,0,0,1,0,0|2,0,0]=4 1136 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [1,0,0,1,0,0|2,0,0]=4 1137 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [1,0,0,1,0,0|2,0,0]=4 1138 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [1,0,0,1,0,0|2,0,0]=4 1139 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|1,0,0]=3 1140 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|1,0,0]=3 1141 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|1,0,0]=3 1142 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|1,0,0]=3 1143 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|1,0,0]=3 1144 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|1,0,0]=3 1145 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,1,0,1,0,0|0,0,0]=2 1146 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,1,0,1,0,0|0,0,0]=2 1147 B9R1.75 C#CCC(=O)NC1CC1 WXVL_AK0001SB3070 [0,1,0,1,0,0|1,0,1]=4 1148 B9R1.75 C#CCC(=O)NC1CC1 WXVL_AK0001SB3070 [0,1,0,1,0,0|1,0,1]=4 1149 B9R1.75 C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0340 [0,1,0,1,0,0|1,0,1]=4 1150 B9R1.75 C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0340 [0,1,0,1,0,0|1,0,1]=4 1151 B9R1.75 C=CCC(=O)NC1CC1 WXVL_AK0001SB2732 [0,1,0,1,0,0|1,0,1]=4 1152 B9R1.75 C=CCC(=O)NC1CC1 WXVL_AK0001SB2732 [0,1,0,1,0,0|1,0,1]=4 1153 B9R1.75 CC#CC(=O)NC1CC1 WXVL_AK0001SB1240 [0,1,0,1,0,0|1,0,1]=4 1154 B9R1.75 CC#CC(=O)NC1CC1 WXVL_AK0001SB1240 [0,1,0,1,0,0|1,0,1]=4 1155 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [0,1,0,1,0,0|1,0,0]=3 1156 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [0,1,0,1,0,0|1,0,0]=3 1157 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,1,0,1,0,0|0,0,0]=2 1158 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,1,0,1,0,0|0,0,0]=2 1159 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [0,1,0,1,0,0|1,0,0]=3 1160 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [0,1,0,1,0,0|1,0,0]=3 1161 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [0,1,0,1,0,0|1,0,0]=3 1162 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [0,1,0,1,0,0|1,0,0]=3 1163 B9R1.75 N#CCC(=O)NC1CC1 WXVL_AK0001SB0057 [0,1,0,1,0,0|1,0,1]=4 1164 B9R1.75 N#CCC(=O)NC1CC1 WXVL_AK0001SB0057 [0,1,0,1,0,0|1,0,1]=4 1165 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [0,1,0,1,0,0|1,0,0]=3 1166 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [0,1,0,1,0,0|1,0,0]=3 1167 B9R1.100 O=C(NCCF)C1CC1 WXVL_AK00466SB0038 [0,1,0,1,0,0|2,0,0]=4 1168 B9R1.100 O=C(NCCF)C1CC1 WXVL_AK00466SB0038 [0,1,0,1,0,0|2,0,0]=4 1169 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,1,0,1,0,0|0,0,0]=2 1170 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,1,0,1,0,0|0,0,0]=2 1171 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [0,1,0,1,0,0|1,0,0]=3 1172 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [0,1,0,1,0,0|1,0,0]=3 1173 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [0,1,0,1,0,0|1,0,0]=3 1174 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [0,1,0,1,0,0|1,0,0]=3 1175 B9R1.11 C#CC(=O)N1CCCC1 WXVL_AN0008SB0338 [0,1,0,1,0,0|0,0,2]=4 1176 B9R1.11 C#CC(=O)N1CCCC1 WXVL_AN0008SB0338 [0,1,0,1,0,0|0,0,2]=4 1177 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|0,0,0]=2 1178 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|0,0,0]=2 1179 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|1,0,0]=3 1180 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|1,0,0]=3 1181 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,0]=3 1182 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,0]=3 1183 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|1,0,0]=3 1184 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|1,0,0]=3 1185 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,0]=3 1186 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,0]=3 1187 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,0]=3 1188 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|1,0,0]=3 1189 B9R1.82 C=C1CC(C1)C(=O)NC WXVL_AK00442SB0804 [0,1,0,1,0,0|1,0,1]=4 1190 B9R1.82 C=C1CC(C1)C(=O)NC WXVL_AK00442SB0804 [0,1,0,1,0,0|1,0,1]=4 1191 B9R1.82 CC1CN(C1)C(=O)CO WXVL_AN0291SB2706 [0,1,0,1,0,0|2,0,0]=4 1192 B9R1.82 CC1CN(C1)C(=O)CO WXVL_AN0291SB2706 [0,1,0,1,0,0|2,0,0]=4 1193 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [0,1,0,1,0,0|1,0,0]=3 1194 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [0,1,0,1,0,0|1,0,0]=3 1195 B9R1.82 CCC(=O)N1CC(C1)O WXVL_AN0284SB0064 [0,1,0,1,0,0|1,0,0]=3 1196 B9R1.82 CCC(=O)N1CC(C1)O WXVL_AN0284SB0064 [0,1,0,1,0,0|1,0,0]=3 1197 B9R1.82 CNC(=O)C1CN(C1)C WXVL_AK00442SB0021 [0,1,0,1,0,0|2,0,0]=4 1198 B9R1.82 CNC(=O)C1CN(C1)C WXVL_AK00442SB0021 [0,1,0,1,0,0|2,0,0]=4 1199 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00442SB3648 [0,1,0,1,0,0|1,0,0]=3 1200 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00442SB3648 [0,1,0,1,0,0|1,0,0]=3 1201 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00442SB0837 [0,1,0,1,0,0|1,0,0]=3 1202 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00442SB0837 [0,1,0,1,0,0|1,0,0]=3 1203 B9R1.82 O=C(CO)N1CC(C1)O WXVL_AN0284SB2706 [0,1,0,1,0,0|2,0,0]=4 1204 B9R1.82 O=C(CO)N1CC(C1)O WXVL_AN0284SB2706 [0,1,0,1,0,0|2,0,0]=4 1205 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [0,1,0,1,0,0|1,0,0]=3 1206 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [0,1,0,1,0,0|1,0,0]=3 1207 B9R1.101 CN(C(=O)CO)C1CC1 WXVL_AN0276SB2706 [0,1,0,1,0,0|2,0,0]=4 1208 B9R1.101 CN(C(=O)CO)C1CC1 WXVL_AN0276SB2706 [0,1,0,1,0,0|2,0,0]=4 1209 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [0,1,0,1,0,0|1,0,1]=4 1210 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [0,1,0,1,0,0|1,0,1]=4 1211 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [0,1,0,1,0,0|1,0,0]=3 1212 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [0,1,0,1,0,0|1,0,0]=3 1213 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [0,1,0,1,0,0|1,0,0]=3 1214 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [0,1,0,1,0,0|1,0,0]=3 1215 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [0,1,0,1,0,0|1,0,0]=3 1216 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [0,1,0,1,0,0|1,0,0]=3 1217 B9R1.186 CNC(=O)C1(COC1)C WXVL_AK00442SB0214 [0,1,0,1,0,0|2,0,0]=4 1218 B9R1.186 CNC(=O)C1(COC1)C WXVL_AK00442SB0214 [0,1,0,1,0,0|2,0,0]=4 1219 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [0,1,0,1,0,0|1,0,0]=3 1220 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [0,1,0,1,0,0|1,0,0]=3 1221 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [0,1,0,1,0,0|1,0,0]=3 1222 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [0,1,0,1,0,0|1,0,0]=3 1223 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|1,0,0]=3 1224 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|1,0,0]=3 1225 B9R1.79 O=C(CO)NC1CNC1 WXVL_AK1291SB2706 [0,1,0,1,0,0|2,0,0]=4 1226 B9R1.79 O=C(CO)NC1CNC1 WXVL_AK1291SB2706 [0,1,0,1,0,0|2,0,0]=4 1227 B9R1.79 O=C(CO)NC1CSC1 WXVL_AK2089SB2706 [0,1,0,1,0,0|2,0,0]=4 1228 B9R1.79 O=C(CO)NC1CSC1 WXVL_AK2089SB2706 [0,1,0,1,0,0|2,0,0]=4 1229 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|1,0,1]=4 1230 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|1,0,1]=4 1231 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|1,0,0]=3 1232 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|1,0,0]=3 1233 B9R1.45 CC1CC1C(=O)N(C)C WXVL_AN0032SB0041 [0,1,0,1,0,0|1,0,0]=3 1234 B9R1.45 CC1CC1C(=O)N(C)C WXVL_AN0032SB0041 [0,1,0,1,0,0|1,0,0]=3 1235 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F WXVL_AN0032SB1245 [0,1,0,1,0,0|2,0,0]=4 1236 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F WXVL_AN0032SB1245 [0,1,0,1,0,0|2,0,0]=4 1237 B9R1.45 CN(C)C(=O)[C@H]1C[C@H]1F WXVL_AN0032SB00019 [0,1,0,1,0,0|2,0,0]=4 1238 B9R1.45 CN(C)C(=O)[C@H]1C[C@H]1F WXVL_AN0032SB00019 [0,1,0,1,0,0|2,0,0]=4 1239 B9R1.110 CN(C)C(=O)C1CCC1 WXVL_AN0032SB0042 [0,1,0,1,0,0|1,0,0]=3 1240 B9R1.110 CN(C)C(=O)C1CCC1 WXVL_AN0032SB0042 [0,1,0,1,0,0|1,0,0]=3 1241 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|1,0,1]=4 1242 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|1,0,1]=4 1243 B9R1.112 CC(C)C(=O)NC1CC1 WXVL_AK0001SB0052 [0,1,0,1,0,0|1,0,0]=3 1244 B9R1.112 CC(C)C(=O)NC1CC1 WXVL_AK0001SB0052 [0,1,0,1,0,0|1,0,0]=3 1245 B9R1.112 CC(S)C(=O)NC1CC1 WXVL_AK0001SB2708 [0,1,0,1,0,0|1,0,0]=3 1246 B9R1.112 CC(S)C(=O)NC1CC1 WXVL_AK0001SB2708 [0,1,0,1,0,0|1,0,0]=3 1247 B9R1.112 CN(C)C(=O)CC1CC1 WXVL_AN0032SB0155 [0,1,0,1,0,0|1,0,0]=3 1248 B9R1.112 CN(C)C(=O)CC1CC1 WXVL_AN0032SB0155 [0,1,0,1,0,0|1,0,0]=3 1249 B9R1.112 C[C@@H](O)C(=O)NC1CC1 WXVL_AK0001SB1085 [0,1,0,1,0,0|1,0,0]=3 1250 B9R1.112 C[C@@H](O)C(=O)NC1CC1 WXVL_AK0001SB1085 [0,1,0,1,0,0|1,0,0]=3 1251 B9R1.112 O=C(NC1CC1)C(F)F WXVL_AK0001SB0079 [0,1,0,1,0,0|2,0,0]=4 1252 B9R1.112 O=C(NC1CC1)C(F)F WXVL_AK0001SB0079 [0,1,0,1,0,0|2,0,0]=4 1253 B9R1.185 CNC(=O)C1CC1(C)C WXVL_AK00442SB0012 [0,1,0,1,0,0|1,0,0]=3 1254 B9R1.185 CNC(=O)C1CC1(C)C WXVL_AK00442SB0012 [0,1,0,1,0,0|1,0,0]=3 1255 B9R1.185 CNC(=O)C1CC1(F)F WXVL_AK00442SB0843 [0,1,0,1,0,0|2,0,0]=4 1256 B9R1.185 CNC(=O)C1CC1(F)F WXVL_AK00442SB0843 [0,1,0,1,0,0|2,0,0]=4 1257 B9R1.113 CC1(CC1)NC(=O)CO WXVL_AK0263SB2706 [0,1,0,1,0,0|2,0,0]=4 1258 B9R1.113 CC1(CC1)NC(=O)CO WXVL_AK0263SB2706 [0,1,0,1,0,0|2,0,0]=4 1259 B9R1.113 CCC(=O)NC1(CC1)C WXVL_AK0263SB0064 [0,1,0,1,0,0|1,0,0]=3 1260 B9R1.113 CCC(=O)NC1(CC1)C WXVL_AK0263SB0064 [0,1,0,1,0,0|1,0,0]=3 1261 B9R1.64 CCS(=O)(=O)NC1CC1 WXVL_AK0001HU0028 [0,1,0,1,0,0|2,0,0]=4 1262 B9R1.64 CCS(=O)(=O)NC1CC1 WXVL_AK0001HU0028 [0,1,0,1,0,0|2,0,0]=4 1263 B9R1.64 CNS(=O)(=O)CC1CC1 WXVL_AK00442HU0351 [0,1,0,1,0,0|2,0,0]=4 1264 B9R1.64 CNS(=O)(=O)CC1CC1 WXVL_AK00442HU0351 [0,1,0,1,0,0|2,0,0]=4