0 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|1,0,1]=3 3 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.5 CC(=O)N(C)CC#N WXVL_AN2942SB0150 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.5 CC(=O)N(C)CC#N WXVL_AN2942SB0150 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,1,0,0,0,0|0,0,2]=3 17 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,1,0,0,0,0|0,0,2]=3 18 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,1,0,0,0,0|0,0,0]=1 19 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,1,0,0,0,0|0,0,0]=1 20 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.5 C[C@H](NC=O)C(=O)N WXVL_AK0084SB5176 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.5 C[C@H](NC=O)C(=O)N WXVL_AK0084SB5176 [0,1,0,0,0,0|2,0,1]=4 30 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [2,0,0,0,0,0|1,0,1]=4 31 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [2,0,0,0,0,0|1,0,1]=4 32 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [2,0,0,0,0,0|1,0,1]=4 33 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,1,0,0,0,0|1,0,1]=4 36 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|0,0,1]=3 49 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|0,0,1]=3 50 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,0,1]=4 51 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.5 CCCS(=O)(=O)N WXVL_AK0084HU0030 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.5 CCCS(=O)(=O)N WXVL_AK0084HU0030 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.2 COC(=O)C(C)C(=O)N WXVL_AK0084SB5708 [0,2,0,0,0,0|1,0,1]=4 61 B8R0.2 COC(=O)C(C)C(=O)N WXVL_AK0084SB5708 [0,2,0,0,0,0|1,0,1]=4 62 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,2,0,0,0,0|1,0,0]=3 63 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,2,0,0,0,0|1,0,0]=3 64 B8R0.5 CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0150 [0,2,0,0,0,0|1,0,1]=4 65 B8R0.5 CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0150 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,2,0,0,0,0|0,0,0]=2 67 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,2,0,0,0,0|0,0,0]=2 68 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,2,0,0,0,0|1,0,0]=3 69 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,2,0,0,0,0|1,0,0]=3 70 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,2,0,0,0,0|1,0,0]=3 71 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,2,0,0,0,0|1,0,1]=4 73 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.23 CC(=O)NC(C)C(=O)N WXVL_AK0084SB0373 [0,2,0,0,0,0|1,0,1]=4 75 B8R0.23 CC(=O)NC(C)C(=O)N WXVL_AK0084SB0373 [0,2,0,0,0,0|1,0,1]=4 76 B8R0.23 CC(=O)N[C@H](C)C(=O)N WXVL_AK6986SB0150 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.23 CC(=O)N[C@H](C)C(=O)N WXVL_AK6986SB0150 [0,2,0,0,0,0|1,0,1]=4 78 B8R0.23 CC(C)CC(O)C(=O)N WXVL_AK0084SB4281 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.23 CC(C)CC(O)C(=O)N WXVL_AK0084SB4281 [0,2,0,0,0,0|1,0,0]=3 80 B8R0.3 C#CC(=O)N(C)CCO WXVL_AN2670SB0338 [0,2,0,0,0,0|2,0,0]=4 81 B8R0.3 C#CC(=O)N(C)CCO WXVL_AN2670SB0338 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,2,0,0,0,0|0,0,2]=4 83 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,2,0,0,0,0|0,0,2]=4 84 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|0,0,0]=2 87 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|0,0,0]=2 88 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|1,0,0]=3 89 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|1,0,0]=3 90 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.3 CNC(=O)[C@H](C)NC=O WXVL_AK00442SB5176 [0,2,0,0,0,0|1,0,1]=4 93 B8R0.3 CNC(=O)[C@H](C)NC=O WXVL_AK00442SB5176 [0,2,0,0,0,0|1,0,1]=4 94 B8R0.8 C=CCOC(C)C(=O)N WXVL_AK0084SBD933 [0,2,0,0,0,0|0,0,2]=4 95 B8R0.8 C=CCOC(C)C(=O)N WXVL_AK0084SBD933 [0,2,0,0,0,0|0,0,2]=4 96 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|1,0,0]=3 98 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,2,0,0,0,0|1,0,1]=4 99 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,2,0,0,0,0|1,0,1]=4 100 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,2,0,0,0,0|1,0,0]=3 104 B8R0.12 C=CCC(C)(C)C(=O)N WXVL_AK0084SB0363 [0,2,0,0,0,0|0,0,2]=4 105 B8R0.12 C=CCC(C)(C)C(=O)N WXVL_AK0084SB0363 [0,2,0,0,0,0|0,0,2]=4 106 B8R0.12 CCCC(C)(C)C(=O)N WXVL_AK0084SB0372 [0,2,0,0,0,0|0,0,0]=2 107 B8R0.12 CCCC(C)(C)C(=O)N WXVL_AK0084SB0372 [0,2,0,0,0,0|0,0,0]=2 108 B8R0.12 CSCC(C)(C)C(=O)N WXVL_AK0084SBF473 [0,2,0,0,0,0|1,0,0]=3 109 B8R0.12 CSCC(C)(C)C(=O)N WXVL_AK0084SBF473 [0,2,0,0,0,0|1,0,0]=3 110 B8R0.15 CCN(CCO)C(=O)C WXVL_AN3174SB0150 [0,2,0,0,0,0|2,0,0]=4 111 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|0,0,0]=2 116 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|0,0,0]=2 117 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|1,0,0]=3 118 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|1,0,0]=3 122 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.23 C=C1CC(C1)C(=O)N WXVL_AK0084SB0804 [0,1,0,1,0,0|0,0,2]=4 124 B8R1.23 C=C1CC(C1)C(=O)N WXVL_AK0084SB0804 [0,1,0,1,0,0|0,0,2]=4 125 B8R1.23 CC(=O)N1CC(C1)C WXVL_AN0291SB0150 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.23 CC(=O)N1CC(C1)C WXVL_AN0291SB0150 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.23 CC(=O)N1CC(C1)O WXVL_AN0284SB0150 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.23 CC(=O)N1CC(C1)O WXVL_AN0284SB0150 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.23 CN1CC(C1)C(=O)N WXVL_AK0084SB0021 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.23 CN1CC(C1)C(=O)N WXVL_AK0084SB0021 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.23 NC(=O)[C@H]1C[C@@H](C1)O WXVL_AK0084SB3648 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.23 NC(=O)[C@H]1C[C@@H](C1)O WXVL_AK0084SB3648 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.23 NC(=O)[C@H]1C[C@H](C1)O WXVL_AK0084SB0837 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.23 NC(=O)[C@H]1C[C@H](C1)O WXVL_AK0084SB0837 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.54 CC(=O)N(C)C1CC1 WXVL_AN0276SB0150 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.54 CC(=O)N(C)C1CC1 WXVL_AN0276SB0150 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.54 NC(=O)C(=O)C1CC1 WXVL_AK0084SB3659 [0,1,0,1,0,0|1,0,1]=4 138 B8R1.54 NC(=O)C(=O)C1CC1 WXVL_AK0084SB3659 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.78 CC1(CCC1)C(=O)N WXVL_AK0084SB0805 [0,1,0,1,0,0|0,0,0]=2 140 B8R1.78 CC1(CCC1)C(=O)N WXVL_AK0084SB0805 [0,1,0,1,0,0|0,0,0]=2 141 B8R1.78 CC1(COC1)C(=O)N WXVL_AK0084SB0214 [0,1,0,1,0,0|1,0,0]=3 142 B8R1.78 CC1(COC1)C(=O)N WXVL_AK0084SB0214 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.78 NC(=O)C1(CCC1)Br WXVL_AK0084SB0465 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.78 NC(=O)C1(CCC1)Br WXVL_AK0084SB0465 [0,1,0,1,0,0|1,0,0]=3 145 B8R1.78 NC(=O)C1(CCC1)F WXVL_AK0084SB0033 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.78 NC(=O)C1(CCC1)F WXVL_AK0084SB0033 [0,1,0,1,0,0|1,0,0]=3