0 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,0,0,0,0,0|1,0,1]=3 5 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,0,0,0,0,0|1,0,2]=4 24 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,0,0,0,0,0|1,0,0]=2 27 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,0,0,0,0,0|1,0,0]=2 28 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,1,0,0,0,0|1,0,0]=2 29 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,1,0,0,0,0|1,0,0]=2 30 B11R0.5 C=CCNC(=O)CC(=O)OCC WXVL_AK00561SB3094 [0,1,0,0,0,0|0,0,2]=3 31 B11R0.5 C=CCNC(=O)CC(=O)OCC WXVL_AK00561SB3094 [0,1,0,0,0,0|0,0,2]=3 32 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,0|0,0,0]=1 33 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,0|0,0,0]=1 34 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,0|2,0,1]=4 35 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,0|2,0,1]=4 36 B11R0.5 CCOC(=O)CC(=O)NCC#N WXVL_AK0683SB3094 [0,1,0,0,0,0|1,0,1]=3 37 B11R0.5 CCOC(=O)CC(=O)NCC#N WXVL_AK0683SB3094 [0,1,0,0,0,0|1,0,1]=3 38 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,1,0,0,0,0|1,0,0]=2 39 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,1,0,0,0,0|1,0,0]=2 40 B11R0.353 CCNS(=O)(=O)CC(=O)OCC WXVL_AK00476HU0462 [0,1,0,0,0,0|2,0,0]=3 41 B11R0.353 CCNS(=O)(=O)CC(=O)OCC WXVL_AK00476HU0462 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,0|2,0,1]=4 43 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,0|2,0,1]=4 44 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,1,0,0|3,0,0]=4 45 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,1,0,0|3,0,0]=4 46 B11R1.199 CCNC(=O)C1=C(OCC1)C WXVL_AK00476SC00025 [0,0,0,1,0,0|2,0,1]=4 47 B11R1.199 CCNC(=O)C1=C(OCC1)C WXVL_AK00476SC00025 [0,0,0,1,0,0|2,0,1]=4 48 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,0|2,0,1]=4 49 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,0|2,0,1]=4 50 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,0,0,1,0,0|3,0,0]=4 51 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,0,0,1,0,0|3,0,0]=4 52 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,0,0,1,0,0|1,0,2]=4 53 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,0,0,1,0,0|1,0,2]=4 54 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,0,0,0,1,0|2,0,1]=4 55 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,0,0,0,1,0|2,0,1]=4 56 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,0,0,0,1,0|2,0,1]=4 57 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,0,0,0,1,0|2,0,1]=4 58 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,0,0,0,1,0|1,0,2]=4 59 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,0,0,0,1,0|1,0,2]=4 60 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,1,0|1,0,0]=2 61 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,1,0|1,0,0]=2 62 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [0,0,0,0,0,1|1,0,1]=3 63 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [0,0,0,0,0,1|1,0,1]=3 64 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,0,0,0,0,1|1,0,0]=2 65 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,0,0,0,0,1|1,0,0]=2 66 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [2,0,0,0,0,0|1,0,1]=4 69 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [2,0,0,0,0,0|1,0,1]=4 70 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [2,0,0,0,0,0|1,0,0]=3 73 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [2,0,0,0,0,0|1,0,0]=3 74 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [2,0,0,0,0,0|1,1,0]=4 75 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [2,0,0,0,0,0|1,1,0]=4 76 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [2,0,0,0,0,0|1,0,1]=4 77 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [2,0,0,0,0,0|1,0,1]=4 78 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,1]=4 79 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,1]=4 80 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [2,0,0,0,0,0|1,0,1]=4 81 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [2,0,0,0,0,0|1,0,1]=4 82 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [2,0,0,0,0,0|1,0,0]=3 83 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [2,0,0,0,0,0|1,0,0]=3 84 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [2,0,0,0,0,0|1,0,0]=3 85 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [2,0,0,0,0,0|1,0,0]=3 86 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,1,0,0,0,0|0,1,1]=4 87 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,1,0,0,0,0|0,1,1]=4 88 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,1,0,0,0,0|1,0,1]=4 89 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,1,0,0,0,0|1,0,1]=4 90 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,1,0,0,0,0|1,0,1]=4 91 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,1,0,0,0,0|1,0,1]=4 92 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,1,0,0,0,0|1,0,1]=4 93 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,1,0,0,0,0|1,0,1]=4 94 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [1,1,0,0,0,0|2,0,0]=4 95 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [1,1,0,0,0,0|2,0,0]=4 96 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [1,1,0,0,0,0|1,0,1]=4 97 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [1,1,0,0,0,0|1,0,1]=4 98 B10R0.6 CC/C=C/CC(=O)NC(C)C WXVL_AK0030SB0349 [1,1,0,0,0,0|1,0,1]=4 99 B10R0.6 CC/C=C/CC(=O)NC(C)C WXVL_AK0030SB0349 [1,1,0,0,0,0|1,0,1]=4 100 B10R0.6 CCO/C=C/C(=O)NC(C)C WXVL_AK0030SB3226 [1,1,0,0,0,0|1,0,1]=4 101 B10R0.6 CCO/C=C/C(=O)NC(C)C WXVL_AK0030SB3226 [1,1,0,0,0,0|1,0,1]=4 102 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,1,0,0,0,0|1,0,1]=4 103 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,1,0,0,0,0|1,0,1]=4 104 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [1,1,0,0,0,0|1,0,1]=4 106 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [1,1,0,0,0,0|1,0,0]=3 107 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [1,1,0,0,0,0|1,0,0]=3 108 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [1,1,0,0,0,0|1,0,1]=4 109 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [1,1,0,0,0,0|1,0,1]=4 110 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [1,1,0,0,0,0|1,0,1]=4 111 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [1,1,0,0,0,0|1,0,1]=4 112 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [1,1,0,0,0,0|0,0,1]=3 113 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [1,1,0,0,0,0|0,0,1]=3 114 B10R0.91 CCO/C=C/C(=O)NCCF WXVL_AK00466SB3226 [1,1,0,0,0,0|1,0,1]=4 115 B10R0.91 CCO/C=C/C(=O)NCCF WXVL_AK00466SB3226 [1,1,0,0,0,0|1,0,1]=4 116 B10R0.7 CCNC(=O)CS(=O)(=O)CC WXVL_AK00476SBD438 [1,1,0,0,0,0|2,0,0]=4 117 B10R0.7 CCNC(=O)CS(=O)(=O)CC WXVL_AK00476SBD438 [1,1,0,0,0,0|2,0,0]=4 118 B10R0.7 CCOC(=O)CS(=O)(=O)NC WXVL_AK00442HU0462 [1,1,0,0,0,0|2,0,0]=4 119 B10R0.7 CCOC(=O)CS(=O)(=O)NC WXVL_AK00442HU0462 [1,1,0,0,0,0|2,0,0]=4 120 B10R0.18 C=CCNC(=O)CC(=O)OC WXVL_AK00561SB2790 [1,1,0,0,0,0|0,0,2]=4 121 B10R0.18 C=CCNC(=O)CC(=O)OC WXVL_AK00561SB2790 [1,1,0,0,0,0|0,0,2]=4 122 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [1,1,0,0,0,0|0,0,0]=2 123 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [1,1,0,0,0,0|0,0,0]=2 124 B10R0.18 CCCNC(=O)CC(C)CC WXVL_AK00504SB0353 [1,1,0,0,0,0|1,0,1]=4 125 B10R0.18 CCCNC(=O)CC(C)CC WXVL_AK00504SB0353 [1,1,0,0,0,0|1,0,1]=4 126 B10R0.18 CCCNC(=O)CC(O)CC WXVL_AK00504SB4092 [1,1,0,0,0,0|0,0,2]=4 127 B10R0.18 CCCNC(=O)CC(O)CC WXVL_AK00504SB4092 [1,1,0,0,0,0|0,0,2]=4 128 B10R0.18 CCCNC(=O)C[C@H](C)CC WXVL_AK00504SB8650 [1,1,0,0,0,0|1,0,1]=4 129 B10R0.18 CCCNC(=O)C[C@H](C)CC WXVL_AK00504SB8650 [1,1,0,0,0,0|1,0,1]=4 130 B10R0.18 COC(=O)CC(=O)NCC#N WXVL_AK0683SB2790 [1,1,0,0,0,0|1,0,1]=4 131 B10R0.18 COC(=O)CC(=O)NCC#N WXVL_AK0683SB2790 [1,1,0,0,0,0|1,0,1]=4 132 B10R0.18 COC(=O)CC(=O)NCCF WXVL_AK00466SB2790 [1,1,0,0,0,0|1,0,0]=3 133 B10R0.18 COC(=O)CC(=O)NCCF WXVL_AK00466SB2790 [1,1,0,0,0,0|1,0,0]=3 134 B10R0.26 CCOC(=O)CC(=O)N(C)C WXVL_AN0032SB3094 [1,1,0,0,0,0|1,0,0]=3 135 B10R0.26 CCOC(=O)CC(=O)N(C)C WXVL_AN0032SB3094 [1,1,0,0,0,0|1,0,0]=3 136 B10R0.35 CCNC(=O)C(C)C(=O)OC WXVL_AK00476SB5708 [1,1,0,0,0,0|1,0,0]=3 137 B10R0.35 CCNC(=O)C(C)C(=O)OC WXVL_AK00476SB5708 [1,1,0,0,0,0|1,0,0]=3 138 B10R0.44 COC(=O)CC(=O)NC(C)C WXVL_AK0030SB2790 [1,1,0,0,0,0|1,0,0]=3 139 B10R0.44 COC(=O)CC(=O)NC(C)C WXVL_AK0030SB2790 [1,1,0,0,0,0|1,0,0]=3 140 B10R0.148 CCNS(=O)(=O)CC(=O)OC WXVL_AK00476HU0075 [1,1,0,0,0,0|2,0,0]=4 141 B10R0.148 CCNS(=O)(=O)CC(=O)OC WXVL_AK00476HU0075 [1,1,0,0,0,0|2,0,0]=4 142 B10R0.32 CCOC(=O)C(=O)NC(C)C WXVL_AK0030SB4144 [0,1,0,0,1,0|1,0,0]=3 143 B10R0.32 CCOC(=O)C(=O)NC(C)C WXVL_AK0030SB4144 [0,1,0,0,1,0|1,0,0]=3 144 B12R0.69 C#CCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB3070 [0,1,0,0,0,1|0,0,2]=4 145 B12R0.69 C#CCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB3070 [0,1,0,0,0,1|0,0,2]=4 146 B12R0.69 C/C=C/C(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0340 [0,1,0,0,0,1|0,0,2]=4 147 B12R0.69 C/C=C/C(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0340 [0,1,0,0,0,1|0,0,2]=4 148 B12R0.69 C=CCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB2732 [0,1,0,0,0,1|0,0,2]=4 149 B12R0.69 C=CCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB2732 [0,1,0,0,0,1|0,0,2]=4 150 B12R0.69 CC#CC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB1240 [0,1,0,0,0,1|0,0,2]=4 151 B12R0.69 CC#CC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB1240 [0,1,0,0,0,1|0,0,2]=4 152 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0073 [0,1,0,0,0,1|0,0,0]=2 153 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0073 [0,1,0,0,0,1|0,0,0]=2 154 B12R0.69 CCOC(=O)[C@H](C)NC(=O)CC#N WXVL_AK1648SB0057 [0,1,0,0,0,1|1,0,1]=4 155 B12R0.69 CCOC(=O)[C@H](C)NC(=O)CC#N WXVL_AK1648SB0057 [0,1,0,0,0,1|1,0,1]=4 156 B12R0.69 CCOC(=O)[C@H](C)NC(=O)COC WXVL_AK1648SB0090 [0,1,0,0,0,1|1,0,0]=3 157 B12R0.69 CCOC(=O)[C@H](C)NC(=O)COC WXVL_AK1648SB0090 [0,1,0,0,0,1|1,0,0]=3 158 B12R0.69 CCOC(=O)[C@H](C)NC(=O)CSC WXVL_AK1648SB1267 [0,1,0,0,0,1|1,0,0]=3 159 B12R0.69 CCOC(=O)[C@H](C)NC(=O)CSC WXVL_AK1648SB1267 [0,1,0,0,0,1|1,0,0]=3 160 B12R0.101 C=CCNC(=O)NCC(=O)OCC WXVL_AK00561YV0151 [0,1,0,0,0,1|0,0,2]=4 161 B12R0.101 C=CCNC(=O)NCC(=O)OCC WXVL_AK00561YV0151 [0,1,0,0,0,1|0,0,2]=4 162 B12R0.101 CCCNC(=O)/C=C/C(=O)OCC WXVL_AK00504SB0061 [0,1,0,0,0,1|0,0,1]=3 163 B12R0.101 CCCNC(=O)/C=C/C(=O)OCC WXVL_AK00504SB0061 [0,1,0,0,0,1|0,0,1]=3 164 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [0,1,0,0,0,1|0,0,0]=2 165 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [0,1,0,0,0,1|0,0,0]=2 166 B12R0.101 CCOC(=O)/C=C/C(=O)NCCF WXVL_AK00466SB0061 [0,1,0,0,0,1|1,0,1]=4 167 B12R0.101 CCOC(=O)/C=C/C(=O)NCCF WXVL_AK00466SB0061 [0,1,0,0,0,1|1,0,1]=4 168 B12R0.101 CCOC(=O)CNC(=O)NCC#N WXVL_AK0683YV0151 [0,1,0,0,0,1|1,0,1]=4 169 B12R0.101 CCOC(=O)CNC(=O)NCC#N WXVL_AK0683YV0151 [0,1,0,0,0,1|1,0,1]=4 170 B12R0.101 CCOC(=O)CNC(=O)NCCF WXVL_AK00466YV0151 [0,1,0,0,0,1|1,0,0]=3 171 B12R0.101 CCOC(=O)CNC(=O)NCCF WXVL_AK00466YV0151 [0,1,0,0,0,1|1,0,0]=3 172 B12R0.272 CCNC(=O)CNC(=O)CC(C)C WXVL_AK00476SB2133 [0,1,0,0,0,1|1,0,0]=3 173 B12R0.272 CCNC(=O)CNC(=O)CC(C)C WXVL_AK00476SB2133 [0,1,0,0,0,1|1,0,0]=3 174 B12R0.272 CCOC(=O)/C=C/C(=O)NC(C)C WXVL_AK0030SB0061 [0,1,0,0,0,1|1,0,1]=4 175 B12R0.272 CCOC(=O)/C=C/C(=O)NC(C)C WXVL_AK0030SB0061 [0,1,0,0,0,1|1,0,1]=4 176 B12R0.272 CCOC(=O)CNC(=O)NC(C)C WXVL_AK0030YV0151 [0,1,0,0,0,1|1,0,0]=3 177 B12R0.272 CCOC(=O)CNC(=O)NC(C)C WXVL_AK0030YV0151 [0,1,0,0,0,1|1,0,0]=3 178 B12R0.20 CCOC(=O)CC(=O)N(C)C(C)C WXVL_AN0073SB3094 [0,2,0,0,0,0|1,0,0]=3 179 B12R0.20 CCOC(=O)CC(=O)N(C)C(C)C WXVL_AN0073SB3094 [0,2,0,0,0,0|1,0,0]=3 180 B12R0.68 C#C[C@@H](C)NC(=O)CC(=O)OCC WXVL_AK00735SB3094 [0,2,0,0,0,0|1,0,0]=3 181 B12R0.68 C#C[C@@H](C)NC(=O)CC(=O)OCC WXVL_AK00735SB3094 [0,2,0,0,0,0|1,0,0]=3 182 B12R0.68 C=CC(C)NC(=O)CC(=O)OCC WXVL_AK00769SB3094 [0,2,0,0,0,0|1,0,0]=3 183 B12R0.68 C=CC(C)NC(=O)CC(=O)OCC WXVL_AK00769SB3094 [0,2,0,0,0,0|1,0,0]=3 184 B12R0.68 CCOC(=O)CC(=O)NC(C)C#N WXVL_AK00810SB3094 [0,2,0,0,0,0|1,0,0]=3 185 B12R0.68 CCOC(=O)CC(=O)NC(C)C#N WXVL_AK00810SB3094 [0,2,0,0,0,0|1,0,0]=3 186 B12R0.68 CCOC(=O)CC(=O)N[C@@H](C)CC WXVL_AK00678SB3094 [0,2,0,0,0,0|0,0,0]=2 187 B12R0.68 CCOC(=O)CC(=O)N[C@@H](C)CC WXVL_AK00678SB3094 [0,2,0,0,0,0|0,0,0]=2 188 B12R0.68 CCOC(=O)CC(=O)N[C@@H](C)CF WXVL_AK00558SB3094 [0,2,0,0,0,0|1,0,0]=3 189 B12R0.68 CCOC(=O)CC(=O)N[C@@H](C)CF WXVL_AK00558SB3094 [0,2,0,0,0,0|1,0,0]=3 190 B12R0.68 CCOC(=O)CC(=O)N[C@@H](C)CO WXVL_AK0109SB3094 [0,2,0,0,0,0|1,0,0]=3 191 B12R0.68 CCOC(=O)CC(=O)N[C@@H](C)CO WXVL_AK0109SB3094 [0,2,0,0,0,0|1,0,0]=3 192 B12R0.78 CCOC(=O)CC(=O)NC(C)(C)C WXVL_AK0024SB3094 [0,2,0,0,0,0|1,0,0]=3 193 B12R0.78 CCOC(=O)CC(=O)NC(C)(C)C WXVL_AK0024SB3094 [0,2,0,0,0,0|1,0,0]=3 194 B12R0.744 CCOC(=O)CS(=O)(=O)NC(C)C WXVL_AK0030HU0462 [0,2,0,0,0,0|2,0,0]=4 195 B12R0.744 CCOC(=O)CS(=O)(=O)NC(C)C WXVL_AK0030HU0462 [0,2,0,0,0,0|2,0,0]=4 196 B12R0.239 C#CCCNC(=O)CC(=O)OCC WXVL_AK3109SB3094 [0,2,0,0,0,0|0,0,1]=3 197 B12R0.239 C#CCCNC(=O)CC(=O)OCC WXVL_AK3109SB3094 [0,2,0,0,0,0|0,0,1]=3 198 B12R0.239 C=CCCNC(=O)CC(=O)OCC WXVL_AK00138SB3094 [0,2,0,0,0,0|0,0,1]=3 199 B12R0.239 C=CCCNC(=O)CC(=O)OCC WXVL_AK00138SB3094 [0,2,0,0,0,0|0,0,1]=3 200 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|0,0,0]=2 201 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|0,0,0]=2 202 B12R0.239 CCOC(=O)CC(=O)NCCC#N WXVL_AK0087SB3094 [0,2,0,0,0,0|0,0,1]=3 203 B12R0.239 CCOC(=O)CC(=O)NCCC#N WXVL_AK0087SB3094 [0,2,0,0,0,0|0,0,1]=3 204 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,2,0,0,0,0|0,0,0]=2 205 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,2,0,0,0,0|0,0,0]=2 206 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,2,0,0,0,0|0,0,0]=2 207 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,2,0,0,0,0|0,0,0]=2 208 B12R0.283 C=C(C)CNC(=O)CC(=O)OCC WXVL_AK0761SB3094 [0,2,0,0,0,0|0,0,1]=3 209 B12R0.283 C=C(C)CNC(=O)CC(=O)OCC WXVL_AK0761SB3094 [0,2,0,0,0,0|0,0,1]=3 210 B12R0.283 CCOC(=O)CC(=O)NCC(=O)N WXVL_AK0147SB3094 [0,2,0,0,0,0|1,0,1]=4 211 B12R0.283 CCOC(=O)CC(=O)NCC(=O)N WXVL_AK0147SB3094 [0,2,0,0,0,0|1,0,1]=4 212 B12R0.283 CCOC(=O)CC(=O)NCC(C)C WXVL_AK00544SB3094 [0,2,0,0,0,0|0,0,0]=2 213 B12R0.283 CCOC(=O)CC(=O)NCC(C)C WXVL_AK00544SB3094 [0,2,0,0,0,0|0,0,0]=2 214 B12R0.283 CCOC(=O)CC(=O)NCC(C)O WXVL_AK0052SB3094 [0,2,0,0,0,0|0,0,0]=2 215 B12R0.283 CCOC(=O)CC(=O)NCC(C)O WXVL_AK0052SB3094 [0,2,0,0,0,0|0,0,0]=2 216 B12R0.283 CCOC(=O)CC(=O)NCC(F)F WXVL_AK0136SB3094 [0,2,0,0,0,0|1,0,0]=3 217 B12R0.283 CCOC(=O)CC(=O)NCC(F)F WXVL_AK0136SB3094 [0,2,0,0,0,0|1,0,0]=3 218 B12R0.283 CCOC(=O)CC(=O)NC[C@H](C)O WXVL_AK0113SB3094 [0,2,0,0,0,0|0,0,0]=2 219 B12R0.283 CCOC(=O)CC(=O)NC[C@H](C)O WXVL_AK0113SB3094 [0,2,0,0,0,0|0,0,0]=2 220 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC WXVL_AK00504HU0462 [0,2,0,0,0,0|1,0,0]=3 221 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC WXVL_AK00504HU0462 [0,2,0,0,0,0|1,0,0]=3 222 B12R0.661 CCOC(=O)CS(=O)(=O)NCCF WXVL_AK00466HU0462 [0,2,0,0,0,0|2,0,0]=4 223 B12R0.661 CCOC(=O)CS(=O)(=O)NCCF WXVL_AK00466HU0462 [0,2,0,0,0,0|2,0,0]=4 224 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC WXVL_AK00476SB2306 [0,2,0,0,0,0|1,0,0]=3 225 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC WXVL_AK00476SB2306 [0,2,0,0,0,0|1,0,0]=3 226 B12R0.71 CCOC(=O)CC(=O)N(CC)CC WXVL_AN0042SB3094 [0,2,0,0,0,0|1,0,0]=3 227 B12R0.71 CCOC(=O)CC(=O)N(CC)CC WXVL_AN0042SB3094 [0,2,0,0,0,0|1,0,0]=3 228 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [1,0,0,1,0,0|1,0,1]=4 229 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [1,0,0,1,0,0|1,0,1]=4 230 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,1,0,0|2,0,0]=4 231 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,1,0,0|2,0,0]=4 232 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [1,0,0,1,0,0|2,0,0]=4 233 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [1,0,0,1,0,0|2,0,0]=4 234 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,1,0,0|2,0,0]=4 235 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,1,0,0|2,0,0]=4 236 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,1,0,0|1,0,1]=4 237 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,1,0,0|1,0,1]=4 238 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [1,0,0,1,0,0|1,0,1]=4 239 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [1,0,0,1,0,0|1,0,1]=4 240 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [1,0,0,1,0,0|1,0,1]=4 241 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [1,0,0,1,0,0|1,0,1]=4 242 B10R1.212 CCNC(=O)C(=O)C1CC1 WXVL_AK00476SB3659 [0,0,0,1,1,0|1,0,0]=3 243 B10R1.212 CCNC(=O)C(=O)C1CC1 WXVL_AK00476SB3659 [0,0,0,1,1,0|1,0,0]=3 244 B12R1.17 C#CCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB3070 [0,0,0,1,0,1|0,0,2]=4 245 B12R1.17 C/C=C/C(=O)N1CCOC(=O)C1 WXVL_AN4960SB0340 [0,0,0,1,0,1|0,0,2]=4 246 B12R1.17 C=CCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB2732 [0,0,0,1,0,1|0,0,2]=4 247 B12R1.17 CC#CC(=O)N1CCOC(=O)C1 WXVL_AN4960SB1240 [0,0,0,1,0,1|0,0,2]=4 248 B12R1.17 CCCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0073 [0,0,0,1,0,1|1,0,0]=3 249 B12R1.17 CCCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0073 [0,0,0,1,0,1|1,0,0]=3 250 B12R1.17 CCCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0073 [0,0,0,1,0,1|0,0,0]=2 251 B12R1.17 CCCC(=O)N1CCOC(C1)C WXVL_AN0569SB0073 [0,0,0,1,0,1|1,0,1]=4 252 B12R1.17 CCCC(=O)N1CCOC(C1)O WXVL_AN00776SB0073 [0,0,0,1,0,1|0,0,2]=4 253 B12R1.17 CCCC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB0073 [0,0,0,1,0,1|1,0,1]=4 254 B12R1.17 CCCC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB0073 [0,0,0,1,0,1|1,0,1]=4 255 B12R1.17 CCCC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB0073 [0,0,0,1,0,1|1,0,1]=4 256 B12R1.17 CCCC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB0073 [0,0,0,1,0,1|1,0,1]=4 257 B12R1.17 CCNC(=O)C1CCNC(=O)C1 WXVL_AK00476SB2983 [0,0,0,1,0,1|2,0,0]=4 258 B12R1.17 CCNC(=O)C1CCNC(=O)C1 WXVL_AK00476SB2983 [0,0,0,1,0,1|2,0,0]=4 259 B12R1.17 COCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0090 [0,0,0,1,0,1|2,0,0]=4 260 B12R1.17 COCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0090 [0,0,0,1,0,1|2,0,0]=4 261 B12R1.17 COCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0090 [0,0,0,1,0,1|1,0,0]=3 262 B12R1.17 CSCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB1267 [0,0,0,1,0,1|2,0,0]=4 263 B12R1.17 CSCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB1267 [0,0,0,1,0,1|2,0,0]=4 264 B12R1.17 CSCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB1267 [0,0,0,1,0,1|1,0,0]=3 265 B12R1.17 N#CCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0057 [0,0,0,1,0,1|1,0,1]=4 266 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,0,0,1,0,1|1,0,1]=4 267 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,0,0,1,0,1|1,0,1]=4 268 B12R1.318 CCCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0073 [0,0,0,1,0,1|1,0,0]=3 269 B12R1.318 CCCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0073 [0,0,0,1,0,1|1,0,0]=3 270 B12R1.318 CCCC(=O)N[C@@H]1CONC1=O WXVL_AK1441SB0073 [0,0,0,1,0,1|2,0,0]=4 271 B12R1.318 CCCC(=O)N[C@@H]1CONC1=O WXVL_AK1441SB0073 [0,0,0,1,0,1|2,0,0]=4 272 B12R1.318 CCNC(=O)CN1CCCC1=O WXVL_AK00476SB0190 [0,0,0,1,0,1|1,0,0]=3 273 B12R1.318 CCNC(=O)CN1CCCC1=O WXVL_AK00476SB0190 [0,0,0,1,0,1|1,0,0]=3 274 B12R1.318 CCNC(=O)CN1CCOC1=O WXVL_AK00476SB8467 [0,0,0,1,0,1|1,0,0]=3 275 B12R1.318 CCNC(=O)CN1CCOC1=O WXVL_AK00476SB8467 [0,0,0,1,0,1|1,0,0]=3 276 B12R1.318 COCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0090 [0,0,0,1,0,1|2,0,0]=4 277 B12R1.318 COCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0090 [0,0,0,1,0,1|2,0,0]=4 278 B12R1.318 CSCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB1267 [0,0,0,1,0,1|2,0,0]=4 279 B12R1.318 CSCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB1267 [0,0,0,1,0,1|2,0,0]=4 280 B12R1.686 CCNC(=O)CNC(=O)C1CC1 WXVL_AK00476SBA651 [0,0,0,1,0,1|1,0,0]=3 281 B12R1.686 CCNC(=O)CNC(=O)C1CC1 WXVL_AK00476SBA651 [0,0,0,1,0,1|1,0,0]=3 282 B12R1.521 CCOC(=O)CC(=O)NC1CC1 WXVL_AK0001SB3094 [0,1,0,1,0,0|0,0,0]=2 283 B12R1.521 CCOC(=O)CC(=O)NC1CC1 WXVL_AK0001SB3094 [0,1,0,1,0,0|0,0,0]=2 284 B12R1.460 CCCNC(=O)C1=C(OCC1)C WXVL_AK00504SC00025 [0,1,0,1,0,0|1,0,1]=4 285 B12R1.460 CCCNC(=O)C1=C(OCC1)C WXVL_AK00504SC00025 [0,1,0,1,0,0|1,0,1]=4 286 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,0,0,0,1,0|1,0,0]=3 287 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,0,0,0,1,0|1,0,0]=3 288 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [1,0,0,0,1,0|1,0,0]=3 289 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [1,0,0,0,1,0|1,0,0]=3 290 B12R0.285 C#CCC(=O)NCCC(=O)OCC WXVL_AK0465SB3070 [0,0,0,0,0,2|0,0,2]=4 291 B12R0.285 C#CCC(=O)NCCC(=O)OCC WXVL_AK0465SB3070 [0,0,0,0,0,2|0,0,2]=4 292 B12R0.285 C/C=C/C(=O)NCCC(=O)OCC WXVL_AK0465SB0340 [0,0,0,0,0,2|0,0,2]=4 293 B12R0.285 C/C=C/C(=O)NCCC(=O)OCC WXVL_AK0465SB0340 [0,0,0,0,0,2|0,0,2]=4 294 B12R0.285 C=CCC(=O)NCCC(=O)OCC WXVL_AK0465SB2732 [0,0,0,0,0,2|0,0,2]=4 295 B12R0.285 C=CCC(=O)NCCC(=O)OCC WXVL_AK0465SB2732 [0,0,0,0,0,2|0,0,2]=4 296 B12R0.285 CC#CC(=O)NCCC(=O)OCC WXVL_AK0465SB1240 [0,0,0,0,0,2|0,0,2]=4 297 B12R0.285 CC#CC(=O)NCCC(=O)OCC WXVL_AK0465SB1240 [0,0,0,0,0,2|0,0,2]=4 298 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,0,0,0,0,2|0,0,0]=2 299 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,0,0,0,0,2|0,0,0]=2 300 B12R0.285 CCOC(=O)CCNC(=O)CC#N WXVL_AK0465SB0057 [0,0,0,0,0,2|1,0,1]=4 301 B12R0.285 CCOC(=O)CCNC(=O)CC#N WXVL_AK0465SB0057 [0,0,0,0,0,2|1,0,1]=4 302 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [0,0,0,0,0,2|1,0,0]=3 303 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [0,0,0,0,0,2|1,0,0]=3 304 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [0,0,0,0,0,2|1,0,0]=3 305 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [0,0,0,0,0,2|1,0,0]=3