0 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [1,0,0,0,0,0|1,0,1]=3 3 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [1,0,0,0,0,0|1,0,1]=3 4 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [1,0,0,0,0,0|1,0,1]=3 5 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.3 C/C=C(\C)/C(=O)N WXVL_AK0084SB0343 [0,1,0,0,0,0|0,0,2]=3 9 B6R0.3 C/C=C(\C)/C(=O)N WXVL_AK0084SB0343 [0,1,0,0,0,0|0,0,2]=3 10 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [0,1,0,0,0,0|1,0,1]=3 11 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [0,1,0,0,0,0|0,0,0]=1 13 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [0,1,0,0,0,0|0,0,0]=1 14 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [0,1,0,0,0,0|0,0,0]=1 15 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [0,1,0,0,0,0|0,0,0]=1 16 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 CNC(=O)C(=O)N WXVL_AK00442SB0128 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 CNC(=O)C(=O)N WXVL_AK00442SB0128 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [0,1,0,0,0,0|1,0,0]=2 23 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [0,1,0,0,0,0|1,0,0]=2 24 B3R0.2 CC(=O)N WXVL_AK0084SB0150 [2,0,0,0,0,0|1,0,1]=4 25 B3R0.2 CC(=O)N WXVL_AK0084SB0150 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,1,0,0,0,0|1,0,1]=4 27 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,1,0,0,0,0|1,0,1]=4 28 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,1,0,0,0,0|0,0,1]=3 29 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,1,0,0,0,0|0,0,1]=3 30 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.4 CCS(=O)(=O)N WXVL_AK0084HU0028 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.4 CCS(=O)(=O)N WXVL_AK0084HU0028 [1,1,0,0,0,0|2,0,0]=4 36 B5R0.5 CC(=O)C(=O)N WXVL_AK0084SB0051 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.5 CC(=O)C(=O)N WXVL_AK0084SB0051 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.5 CC(=O)N(C)C WXVL_AN0032SB0150 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.5 CC(=O)N(C)C WXVL_AN0032SB0150 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.5 CC(C)C(=O)N WXVL_AK0084SB0052 [1,1,0,0,0,0|0,0,0]=2 41 B5R0.5 CC(C)C(=O)N WXVL_AK0084SB0052 [1,1,0,0,0,0|0,0,0]=2 42 B5R0.5 CC(S)C(=O)N WXVL_AK0084SB2708 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.5 CC(S)C(=O)N WXVL_AK0084SB2708 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.5 C[C@@H](O)C(=O)N WXVL_AK0084SB1085 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.5 C[C@@H](O)C(=O)N WXVL_AK0084SB1085 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.5 NC(=O)C(F)F WXVL_AK0084SB0079 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.5 NC(=O)C(F)F WXVL_AK0084SB0079 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.2 C#C[C@@H](C)NC(=O)C WXVL_AK00735SB0150 [0,2,0,0,0,0|0,0,2]=4 49 B7R0.2 C#C[C@@H](C)NC(=O)C WXVL_AK00735SB0150 [0,2,0,0,0,0|0,0,2]=4 50 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,2,0,0,0,0|0,0,2]=4 51 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,2,0,0,0,0|0,0,2]=4 52 B7R0.2 CC(=O)NC(C)C#N WXVL_AK00810SB0150 [0,2,0,0,0,0|1,0,1]=4 53 B7R0.2 CC(=O)NC(C)C#N WXVL_AK00810SB0150 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.2 CC(=O)N[C@@H](C)CF WXVL_AK00558SB0150 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,2,0,0,0,0|1,0,0]=3 57 B7R0.2 CC(=O)N[C@@H](C)CO WXVL_AK0109SB0150 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,2,0,0,0,0|0,0,0]=2 59 B7R0.2 CCC(C)CC(=O)N WXVL_AK0084SB0353 [0,2,0,0,0,0|0,0,0]=2 60 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.2 CCC(O)CC(=O)N WXVL_AK0084SB4092 [0,2,0,0,0,0|1,0,0]=3 62 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,2,0,0,0,0|0,0,0]=2 63 B7R0.2 CC[C@@H](C)CC(=O)N WXVL_AK0084SB8650 [0,2,0,0,0,0|0,0,0]=2 64 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,2,0,0,0,0|0,0,0]=2 65 B7R0.2 CC[C@H](C)NC(=O)C WXVL_AK00678SB0150 [0,2,0,0,0,0|0,0,0]=2 66 B7R0.5 CC(=O)N(C)CC#N WXVL_AN2942SB0150 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.5 CC(=O)N(C)CC#N WXVL_AN2942SB0150 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,2,0,0,0,0|0,0,1]=3 71 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [0,2,0,0,0,0|0,0,1]=3 72 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,2,0,0,0,0|0,0,0]=2 73 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,2,0,0,0,0|0,0,0]=2 74 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,2,0,0,0,0|1,0,1]=4 80 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.5 C[C@H](NC=O)C(=O)N WXVL_AK0084SB5176 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.5 C[C@H](NC=O)C(=O)N WXVL_AK0084SB5176 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [0,2,0,0,0,0|0,0,2]=4 85 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [0,2,0,0,0,0|0,0,2]=4 86 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,2,0,0,0,0|0,0,0]=2 89 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,2,0,0,0,0|0,0,0]=2 90 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,2,0,0,0,0|0,0,0]=2 91 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,2,0,0,0,0|0,0,0]=2 92 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.13 CC(C)(CCl)C(=O)N WXVL_AK0084SB3392 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.13 CC(C)(CCl)C(=O)N WXVL_AK0084SB3392 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.13 CCC(C)(C)C(=O)N WXVL_AK0084SB0355 [0,2,0,0,0,0|0,0,0]=2 99 B7R0.13 CCC(C)(C)C(=O)N WXVL_AK0084SB0355 [0,2,0,0,0,0|0,0,0]=2 100 B7R0.13 CCC(C)(O)C(=O)N WXVL_AK0084SB3009 [0,2,0,0,0,0|0,0,0]=2 101 B7R0.13 CCC(C)(O)C(=O)N WXVL_AK0084SB3009 [0,2,0,0,0,0|0,0,0]=2 102 B7R0.13 COC(C)(C)C(=O)N WXVL_AK0084SB0207 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.13 COC(C)(C)C(=O)N WXVL_AK0084SB0207 [0,2,0,0,0,0|1,0,0]=3 104 B7R0.15 CCC(CC)C(=O)N WXVL_AK0084SB0055 [0,2,0,0,0,0|0,0,0]=2 105 B7R0.15 CCC(CC)C(=O)N WXVL_AK0084SB0055 [0,2,0,0,0,0|0,0,0]=2 106 B7R0.15 CCN(CC)C(=O)C WXVL_AN0042SB0150 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.15 CCN(CC)C(=O)C WXVL_AN0042SB0150 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.15 COC(OC)C(=O)N WXVL_AK0084SB8546 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.15 COC(OC)C(=O)N WXVL_AK0084SB8546 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.16 CC(=O)N(C)C(C)C WXVL_AN0073SB0150 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.16 CC(=O)N(C)C(C)C WXVL_AN0073SB0150 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.16 CC(C)C(=O)C(=O)N WXVL_AK0084SB2578 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.16 CC(C)C(=O)C(=O)N WXVL_AK0084SB2578 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.16 CC(C)C(O)C(=O)N WXVL_AK0084SB1147 [0,2,0,0,0,0|1,0,0]=3 115 B7R0.16 CC(C)C(O)C(=O)N WXVL_AK0084SB1147 [0,2,0,0,0,0|1,0,0]=3 116 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,1,0,1,0,0|0,0,0]=2 117 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,1,0,1,0,0|0,0,0]=2 118 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,1,0,1,0,0|0,0,0]=2 123 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,1,0,1,0,0|0,0,0]=2 124 B7R1.19 CC1(CC1)C(=O)N WXVL_AK0084SB0040 [0,1,0,1,0,0|0,0,0]=2 125 B7R1.19 CC1(CC1)C(=O)N WXVL_AK0084SB0040 [0,1,0,1,0,0|0,0,0]=2 126 B7R1.19 NC(=O)C1(CC1)Br WXVL_AK0084SB5517 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.19 NC(=O)C1(CC1)Br WXVL_AK0084SB5517 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.19 NC(=O)C1(CC1)F WXVL_AK0084SB0218 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.19 NC(=O)C1(CC1)F WXVL_AK0084SB0218 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.19 NC(=O)C1(CC1)O WXVL_AK0084SB2965 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.19 NC(=O)C1(CC1)O WXVL_AK0084SB2965 [0,1,0,1,0,0|1,0,0]=3