0 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.2 C#CC(=O)NC(C)C WXVL_AK0030SB0338 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.2 C#CC(=O)NC(C)C WXVL_AK0030SB0338 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,0,0,0,0|1,1,1]=4 57 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,0,0,0,0|1,1,1]=4 58 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.5 C=C(F)C(=O)NCC WXVL_AK00476SB1376 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.5 C=C(F)C(=O)NCC WXVL_AK00476SB1376 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,1,0,0,0,0|1,0,2]=4 94 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,0,0,0,0|2,0,1]=4 110 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,0,1,0,0|2,0,1]=4 112 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [2,0,0,0,0,0|1,0,0]=3 113 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [2,0,0,0,0,0|1,0,1]=4 115 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [2,0,0,0,0,0|1,0,1]=4 116 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,0,0]=3 137 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,0,0]=3 138 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,1,0]=4 139 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,1,0]=4 140 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.5 C/C=C/C(=O)NC(C)C WXVL_AK0030SB0340 [0,2,0,0,0,0|1,0,0]=3 145 B8R0.5 C/C=C/C(=O)NC(C)C WXVL_AK0030SB0340 [0,2,0,0,0,0|1,0,0]=3 146 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,2,0,0,0,0|1,0,0]=3 147 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,2,0,0,0,0|1,0,0]=3 148 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,2,0,0,0,0|1,0,0]=3 149 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,2,0,0,0,0|1,0,0]=3 150 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,2,0,0,0,0|0,0,1]=3 151 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,2,0,0,0,0|0,0,1]=3 152 B8R0.23 C=C(F)C(=O)NC(C)C WXVL_AK0030SB1376 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.23 C=C(F)C(=O)NC(C)C WXVL_AK0030SB1376 [0,2,0,0,0,0|1,0,0]=3 154 B8R0.23 CC(=O)C(=O)NC(C)C WXVL_AK0030SB0051 [0,2,0,0,0,0|1,0,1]=4 155 B8R0.23 CC(=O)C(=O)NC(C)C WXVL_AK0030SB0051 [0,2,0,0,0,0|1,0,1]=4 156 B8R0.23 CC(C)NC(=O)C(=O)N WXVL_AK0030SB0128 [0,2,0,0,0,0|2,0,0]=4 157 B8R0.23 CC(C)NC(=O)C(=O)N WXVL_AK0030SB0128 [0,2,0,0,0,0|2,0,0]=4 158 B8R0.1 C/C=C/C(=O)NCC#N WXVL_AK0683SB0340 [0,2,0,0,0,0|1,0,1]=4 159 B8R0.1 C/C=C/C(=O)NCC#N WXVL_AK0683SB0340 [0,2,0,0,0,0|1,0,1]=4 160 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|1,0,0]=3 161 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|1,0,0]=3 162 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,2,0,0,0,0|1,0,0]=3 163 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,2,0,0,0,0|1,0,0]=3 164 B8R0.1 C=CCC(=O)NCC#N WXVL_AK0683SB2732 [0,2,0,0,0,0|1,0,1]=4 165 B8R0.1 C=CCC(=O)NCC#N WXVL_AK0683SB2732 [0,2,0,0,0,0|1,0,1]=4 166 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|1,0,0]=3 167 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|1,0,0]=3 168 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,2,0,0,0,0|1,0,0]=3 169 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,2,0,0,0,0|1,0,0]=3 170 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,2,0,0,0,0|1,0,0]=3 171 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,2,0,0,0,0|1,0,0]=3 172 B8R0.1 C=CCNC(=O)/C=C/C WXVL_AK00561SB0340 [0,2,0,0,0,0|1,0,1]=4 173 B8R0.1 C=CCNC(=O)/C=C/C WXVL_AK00561SB0340 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.1 C=CCNC(=O)C#CC WXVL_AK00561SB1240 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.1 C=CCNC(=O)C#CC WXVL_AK00561SB1240 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.1 C=CCNC(=O)CC=C WXVL_AK00561SB2732 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.1 C=CCNC(=O)CC=C WXVL_AK00561SB2732 [0,2,0,0,0,0|1,0,1]=4 178 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|1,0,0]=3 179 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|1,0,0]=3 180 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,2,0,0,0,0|2,0,0]=4 182 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,2,0,0,0,0|2,0,0]=4 183 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,2,0,0,0,0|1,0,0]=3 185 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,2,0,0,0,0|1,0,0]=3 186 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|0,0,2]=4 187 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|0,0,2]=4 188 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [0,2,0,0,0,0|1,0,0]=3 189 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [0,2,0,0,0,0|1,0,0]=3 190 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,2,0,0,0,0|1,0,1]=4 191 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,2,0,0,0,0|0,0,1]=3 193 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,2,0,0,0,0|0,0,1]=3 194 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,2,0,0,0,0|1,0,1]=4 195 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.8 C=C(F)C(=O)NCC#N WXVL_AK0683SB1376 [0,2,0,0,0,0|1,0,1]=4 197 B8R0.8 C=C(F)C(=O)NCC#N WXVL_AK0683SB1376 [0,2,0,0,0,0|1,0,1]=4 198 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,2,0,0,0,0|1,0,0]=3 199 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,2,0,0,0,0|1,0,0]=3 200 B8R0.8 C=C(F)C(=O)NCCF WXVL_AK00466SB1376 [0,2,0,0,0,0|1,0,0]=3 201 B8R0.8 C=C(F)C(=O)NCCF WXVL_AK00466SB1376 [0,2,0,0,0,0|1,0,0]=3 202 B8R0.8 C=CCNC(=O)C(=C)F WXVL_AK00561SB1376 [0,2,0,0,0,0|1,0,1]=4 203 B8R0.8 C=CCNC(=O)C(=C)F WXVL_AK00561SB1376 [0,2,0,0,0,0|1,0,1]=4 204 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,2,0,0,0,0|1,0,1]=4 205 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,2,0,0,0,0|1,0,1]=4 206 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,2,0,0,0,0|1,0,1]=4 207 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,2,0,0,0,0|1,0,1]=4 208 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,2,0,0,0,0|2,0,0]=4 210 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,2,0,0,0,0|1,0,1]=4 211 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,2,0,0,0,0|1,0,1]=4 212 B8R0.8 NC(=O)C(=O)NCCF WXVL_AK00466SB0128 [0,2,0,0,0,0|2,0,0]=4 213 B8R0.8 NC(=O)C(=O)NCCF WXVL_AK00466SB0128 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.9 C=CC(=O)NCC(=O)N WXVL_AK0084SB9931 [0,2,0,0,0,0|1,0,1]=4 215 B8R0.9 C=CC(=O)NCC(=O)N WXVL_AK0084SB9931 [0,2,0,0,0,0|1,0,1]=4 216 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,2,0,0,0,0|1,0,1]=4 218 B8R0.30 C=CCS(=O)(=O)NCC WXVL_AK00476HU0152 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.30 C=CCS(=O)(=O)NCC WXVL_AK00476HU0152 [0,2,0,0,0,0|2,0,0]=4 220 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [1,0,0,1,0,0|2,0,0]=4 221 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.54 NC(=O)C(=O)C1CC1 WXVL_AK0084SB3659 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.54 NC(=O)C(=O)C1CC1 WXVL_AK0084SB3659 [0,1,0,1,0,0|2,0,0]=4