0 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,1,0,0,0|1,0,0]=2 1 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,1,0,0,0|1,0,0]=2 2 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,0,1,0,0,0|1,0,2]=4 3 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,0,1,0,0,0|1,0,2]=4 4 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [0,0,1,0,0,0|1,0,2]=4 5 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [0,0,1,0,0,0|1,0,2]=4 6 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,1,0,0,0|1,0,2]=4 7 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,1,0,0,0|1,0,2]=4 8 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,1,0,0,0|1,0,1]=3 9 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,1,0,0,0|1,0,1]=3 10 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,1,0,0,0|2,0,1]=4 11 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,1,0,0,0|2,0,1]=4 12 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,1,0,0,0|2,0,1]=4 13 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,1,0,0,0|2,0,1]=4 14 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,1,0,0,0|2,0,1]=4 15 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,1,0,0,0|2,0,1]=4 16 B6R0.2 CC(=CC(=O)N)C WXVL_AK0084SB0342 [0,0,1,0,0,0|1,0,0]=2 17 B6R0.2 CC(=CC(=O)N)C WXVL_AK0084SB0342 [0,0,1,0,0,0|1,0,0]=2 18 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [0,0,1,0,0,0|1,0,1]=3 19 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [0,0,1,0,0,0|1,0,1]=3 20 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [0,0,1,0,0,0|1,0,2]=4 21 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [0,0,1,0,0,0|1,0,2]=4 22 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [0,0,1,0,0,0|2,0,1]=4 23 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [0,0,1,0,0,0|2,0,1]=4 24 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [0,0,1,0,0,0|1,0,2]=4 25 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [0,0,1,0,0,0|1,0,2]=4 26 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [0,0,1,0,0,0|1,0,1]=3 27 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [0,0,1,0,0,0|1,0,1]=3 28 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,0,1,0,0,0|1,0,2]=4 29 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,0,1,0,0,0|1,0,2]=4 30 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,0,1,0,0,0|1,0,2]=4 31 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,0,1,0,0,0|1,0,2]=4 32 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,0,1,0,0,0|2,0,1]=4 33 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,0,1,0,0,0|2,0,1]=4 34 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,0,1,0,0,0|2,0,1]=4 35 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,0,1,0,0,0|2,0,1]=4 36 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,0,1,0,0,0|2,0,0]=3 37 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,0,1,0,0,0|2,0,0]=3 38 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,0,1,0,0,0|2,0,0]=3 39 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,0,1,0,0,0|2,0,0]=3 40 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,1,0,0,0|1,0,0]=3 41 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,1,0,0,0|1,0,0]=3 42 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,1,0,0,0|1,0,1]=4 43 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,1,0,0,0|1,0,1]=4 44 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,1,0,0,0|1,0,0]=3 45 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,1,0,0,0|1,0,0]=3 46 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,1,0,0,0|1,0,1]=4 47 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,1,0,0,0|1,0,1]=4 48 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,1,0,0,0|2,0,0]=4 49 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,1,0,0,0|2,0,0]=4 50 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,1,0,0,0|2,0,0]=4 51 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,1,0,0,0|2,0,0]=4 52 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,1,0,0,0|1,0,0]=3 53 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,1,0,0,0|1,0,0]=3 54 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,1,0,0,0|2,0,0]=4 55 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,1,0,0,0|1,0,1]=4 57 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,1,0,0,0|1,0,1]=4 58 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,1,1,0,0,0|0,0,2]=4 59 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,1,1,0,0,0|0,0,2]=4 60 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,1,1,0,0,0|0,0,2]=4 61 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,1,1,0,0,0|0,0,2]=4 62 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,1,1,0,0,0|1,0,1]=4 63 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,1,1,0,0,0|1,0,1]=4 64 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [0,1,1,0,0,0|1,0,0]=3 65 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [0,1,1,0,0,0|1,0,0]=3 66 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,1,0,0,0|0,0,2]=4 67 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,1,0,0,0|0,0,2]=4 68 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,1,0,0,0|1,0,1]=4 69 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,1,0,0,0|1,0,1]=4 70 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,1,0,0,0|0,0,2]=4 71 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,1,0,0,0|0,0,2]=4 72 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,1,1,0,0,0|1,0,0]=3 73 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,1,1,0,0,0|1,0,0]=3 74 B7R0.5 C/C=C/C(=O)N(C)C WXVL_AN0032SB0340 [0,1,1,0,0,0|1,0,0]=3 75 B7R0.5 C/C=C/C(=O)N(C)C WXVL_AN0032SB0340 [0,1,1,0,0,0|1,0,0]=3 76 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,1,0,0,0|1,0,1]=4 77 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,1,0,0,0|1,0,1]=4 78 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,1,0,0,0|1,0,1]=4 79 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,1,0,0,0|1,0,1]=4 80 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,1,0,0,0|1,0,1]=4 81 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,1,0,0,0|1,0,1]=4 82 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,1,0,0,0|0,0,0]=2 83 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,1,0,0,0|0,0,0]=2 84 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,1,0,0,0|0,0,2]=4 85 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,1,0,0,0|0,0,2]=4 86 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,1,1,0,0,0|0,0,2]=4 87 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,1,1,0,0,0|0,0,2]=4 88 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,1,0,0,0|0,0,2]=4 89 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,1,0,0,0|0,0,2]=4 90 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,1,0,0,0|1,0,1]=4 91 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,1,0,0,0|1,0,1]=4 92 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,1,0,0,0|1,0,1]=4 93 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,1,0,0,0|1,0,1]=4 94 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [0,1,1,0,0,0|1,0,0]=3 95 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [0,1,1,0,0,0|1,0,0]=3 96 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,1,1,0,0,0|1,0,0]=3 97 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,1,1,0,0,0|1,0,0]=3 98 B7R0.9 CC(=O)NC(C)(C)C WXVL_AK0024SB0150 [0,1,1,0,0,0|1,0,1]=4 99 B7R0.9 CC(=O)NC(C)(C)C WXVL_AK0024SB0150 [0,1,1,0,0,0|1,0,1]=4 100 B7R0.16 CC(=O)C(=O)N(C)C WXVL_AN0032SB0051 [0,1,1,0,0,0|1,0,0]=3 101 B7R0.16 CC(=O)C(=O)N(C)C WXVL_AN0032SB0051 [0,1,1,0,0,0|1,0,0]=3 102 B7R0.16 CC(=O)N(C)C(C)C WXVL_AN0073SB0150 [0,1,1,0,0,0|1,0,1]=4 103 B7R0.16 CC(=O)N(C)C(C)C WXVL_AN0073SB0150 [0,1,1,0,0,0|1,0,1]=4 104 B7R0.16 CC(C)C(=O)C(=O)N WXVL_AK0084SB2578 [0,1,1,0,0,0|1,0,1]=4 105 B7R0.16 CC(C)C(=O)C(=O)N WXVL_AK0084SB2578 [0,1,1,0,0,0|1,0,1]=4 106 B7R0.16 CN(C)C(=O)C(=O)N WXVL_AN0032SB0128 [0,1,1,0,0,0|2,0,0]=4 107 B7R0.16 CN(C)C(=O)C(=O)N WXVL_AN0032SB0128 [0,1,1,0,0,0|2,0,0]=4 108 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,1,1,0,0,0|1,0,1]=4 109 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,1,1,0,0,0|1,0,1]=4 110 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,1,1,0,0,0|0,0,2]=4 111 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,1,1,0,0,0|0,0,2]=4 112 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,1,0,0,0|1,0,1]=4 113 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,1,0,0,0|1,0,1]=4 114 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,1,0,0,0|0,0,2]=4 115 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,1,0,0,0|0,0,2]=4 116 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,1,0,0,0|1,0,1]=4 117 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,1,0,0,0|1,0,1]=4 118 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,1,0,0,0|1,0,1]=4 119 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,1,0,0,0|1,0,1]=4 120 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,1,0,0,0|1,0,1]=4 121 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,1,0,0,0|1,0,1]=4 122 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [0,1,1,0,0,0|1,0,0]=3 123 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [0,1,1,0,0,0|1,0,0]=3 124 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [0,1,1,0,0,0|1,0,0]=3 125 B7R0.6 CC(=O)CCC(=O)N WXVL_AK0084SB0072 [0,1,1,0,0,0|1,0,0]=3 126 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [0,1,1,0,0,0|2,0,0]=4 127 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0084SB0357 [0,1,1,0,0,0|2,0,0]=4 128 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [0,1,1,0,0,0|2,0,0]=4 129 B7R0.6 CC(=O)NCC(=O)N WXVL_AK0147SB0150 [0,1,1,0,0,0|2,0,0]=4 130 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [0,1,1,0,0,0|2,0,0]=4 131 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [0,1,1,0,0,0|2,0,0]=4 132 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [0,1,1,0,0,0|2,0,0]=4 133 B7R0.6 CC(=O)SCC(=O)N WXVL_AK0084SB3992 [0,1,1,0,0,0|2,0,0]=4 134 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,1,1,0,0,0|0,0,2]=4 135 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,1,1,0,0,0|0,0,2]=4 136 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [0,1,1,0,0,0|1,0,1]=4 137 B7R0.6 CN(C)CCC(=O)N WXVL_AK0084SB00052 [0,1,1,0,0,0|1,0,1]=4 138 B7R0.6 NC(=O)CCC(=O)N WXVL_AK0084SB0358 [0,1,1,0,0,0|2,0,0]=4 139 B7R0.6 NC(=O)CCC(=O)N WXVL_AK0084SB0358 [0,1,1,0,0,0|2,0,0]=4 140 B9R1.35 Cc1c[nH]c(c1)C(=O)N WXVL_AK0084SC0830 [0,2,0,0,0,0|1,0,1]=4 141 B9R1.35 Cc1c[nH]c(c1)C(=O)N WXVL_AK0084SC0830 [0,2,0,0,0,0|1,0,1]=4 142 B9R1.35 Cc1cc([nH]n1)C(=O)N WXVL_AK0084SC2215 [0,2,0,0,0,0|2,0,0]=4 143 B9R1.35 Cc1cc([nH]n1)C(=O)N WXVL_AK0084SC2215 [0,2,0,0,0,0|2,0,0]=4 144 B9R1.35 Cc1cc(c[nH]1)C(=O)N WXVL_AK0084SC0298 [0,2,0,0,0,0|1,0,1]=4 145 B9R1.35 Cc1cc(c[nH]1)C(=O)N WXVL_AK0084SC0298 [0,2,0,0,0,0|1,0,1]=4 146 B9R1.35 Cc1cc(n[nH]1)C(=O)N WXVL_AK0084SC0267 [0,2,0,0,0,0|2,0,0]=4 147 B9R1.35 Cc1cc(n[nH]1)C(=O)N WXVL_AK0084SC0267 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.35 Cc1cc(no1)C(=O)N WXVL_AK0084SC0101 [0,2,0,0,0,0|2,0,0]=4 149 B9R1.35 Cc1cc(no1)C(=O)N WXVL_AK0084SC0101 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.35 Cc1cc(on1)C(=O)N WXVL_AK0084SC0089 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.35 Cc1cc(on1)C(=O)N WXVL_AK0084SC0089 [0,2,0,0,0,0|2,0,0]=4 152 B9R1.35 Cc1csc(c1)C(=O)N WXVL_AK0084SC0004 [0,2,0,0,0,0|1,0,1]=4 153 B9R1.35 Cc1csc(c1)C(=O)N WXVL_AK0084SC0004 [0,2,0,0,0,0|1,0,1]=4 154 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [0,0,1,1,0,0|1,0,1]=4 155 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [0,0,1,1,0,0|1,0,1]=4 156 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,1,1,0,0|1,0,1]=4 157 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,1,1,0,0|1,0,1]=4 158 B5R0.5 CC(=O)C(=O)N WXVL_AK0084SB0051 [0,0,1,0,1,0|2,0,0]=4 159 B5R0.5 CC(=O)C(=O)N WXVL_AK0084SB0051 [0,0,1,0,1,0|2,0,0]=4 160 B5R0.5 CC(=O)N(C)C WXVL_AN0032SB0150 [0,0,1,0,1,0|1,0,0]=3 161 B5R0.5 CC(=O)N(C)C WXVL_AN0032SB0150 [0,0,1,0,1,0|1,0,0]=3 162 B5R0.5 CC(C)C(=O)N WXVL_AK0084SB0052 [0,0,1,0,1,0|1,0,1]=4 163 B5R0.5 CC(C)C(=O)N WXVL_AK0084SB0052 [0,0,1,0,1,0|1,0,1]=4