0 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.35 CCCC(=O)N(C)CC#N WXVL_AN2942SB0073 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.35 CCCC(=O)N(C)CC#N WXVL_AN2942SB0073 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|1,0,0]=2 33 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|1,0,0]=2 34 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [1,0,0,0,0,0|3,0,0]=4 51 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,0,0,0,0,0|1,0,0]=2 65 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,0,0,0,0,0|1,0,0]=2 66 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [1,0,0,0,0,0|1,0,2]=4 69 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [1,0,0,0,0,0|1,0,2]=4 70 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [1,0,0,0,0,0|2,0,0]=3 73 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [1,0,0,0,0,0|2,0,0]=3 74 B10R0.19 C=CCNC(=O)C(=O)OCC WXVL_AK00561SB4144 [0,1,0,0,0,0|1,0,2]=4 75 B10R0.19 C=CCNC(=O)C(=O)OCC WXVL_AK00561SB4144 [0,1,0,0,0,0|1,0,2]=4 76 B10R0.19 CC/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0037 [0,1,0,0,0,0|1,0,1]=3 77 B10R0.19 CC/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0037 [0,1,0,0,0,0|1,0,1]=3 78 B10R0.19 CC/C=C(\C)/C(=O)NCCF WXVL_AK00466SB0037 [0,1,0,0,0,0|2,0,1]=4 79 B10R0.19 CC/C=C(\C)/C(=O)NCCF WXVL_AK00466SB0037 [0,1,0,0,0,0|2,0,1]=4 80 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [0,1,0,0,0,0|2,0,0]=3 81 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [0,1,0,0,0,0|2,0,0]=3 82 B10R0.19 CCCC(C)C(=O)NCCF WXVL_AK00466SB0352 [0,1,0,0,0,0|2,0,1]=4 83 B10R0.19 CCCC(C)C(=O)NCCF WXVL_AK00466SB0352 [0,1,0,0,0,0|2,0,1]=4 84 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|1,0,2]=4 85 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|1,0,2]=4 86 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,0]=2 87 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,0]=2 88 B10R0.19 CCCNC(=O)C(C)CCC WXVL_AK00504SB0352 [0,1,0,0,0,0|1,0,1]=3 89 B10R0.19 CCCNC(=O)C(C)CCC WXVL_AK00504SB0352 [0,1,0,0,0,0|1,0,1]=3 90 B10R0.19 CCCNC(=O)[C@@H](O)CCC WXVL_AK00504SB3627 [0,1,0,0,0,0|0,0,2]=3 91 B10R0.19 CCCNC(=O)[C@@H](O)CCC WXVL_AK00504SB3627 [0,1,0,0,0,0|0,0,2]=3 92 B10R0.19 CCC[C@H](O)C(=O)NCCF WXVL_AK00466SB3627 [0,1,0,0,0,0|1,0,2]=4 93 B10R0.19 CCC[C@H](O)C(=O)NCCF WXVL_AK00466SB3627 [0,1,0,0,0,0|1,0,2]=4 94 B10R0.19 CCOC(=O)C(=O)NCC#N WXVL_AK0683SB4144 [0,1,0,0,0,0|2,0,1]=4 95 B10R0.19 CCOC(=O)C(=O)NCC#N WXVL_AK0683SB4144 [0,1,0,0,0,0|2,0,1]=4 96 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,1,0,0,0,0|2,0,0]=3 97 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,1,0,0,0,0|2,0,0]=3 98 B10R0.19 CCOCC(=O)N(C)CCO WXVL_AN2670SB0091 [0,1,0,0,0,0|3,0,0]=4 99 B10R0.19 CCOCC(=O)N(C)CCO WXVL_AN2670SB0091 [0,1,0,0,0,0|3,0,0]=4 100 B10R0.19 CCSCC(=O)N(C)CCO WXVL_AN2670SB0002 [0,1,0,0,0,0|3,0,0]=4 101 B10R0.19 CCSCC(=O)N(C)CCO WXVL_AN2670SB0002 [0,1,0,0,0,0|3,0,0]=4 102 B10R0.19 COCCC(=O)N(C)CCO WXVL_AN2670SB0156 [0,1,0,0,0,0|3,0,0]=4 103 B10R0.19 COCCC(=O)N(C)CCO WXVL_AN2670SB0156 [0,1,0,0,0,0|3,0,0]=4 104 B10R0.19 COCCN(C)C(=O)COC WXVL_AN0085SB0090 [0,1,0,0,0,0|3,0,0]=4 105 B10R0.19 COCCN(C)C(=O)COC WXVL_AN0085SB0090 [0,1,0,0,0,0|3,0,0]=4 106 B10R0.19 COCCN(C)C(=O)CSC WXVL_AN0085SB1267 [0,1,0,0,0,0|3,0,0]=4 107 B10R0.19 COCCN(C)C(=O)CSC WXVL_AN0085SB1267 [0,1,0,0,0,0|3,0,0]=4 108 B10R0.19 CSCCC(=O)N(C)CCO WXVL_AN2670SB0361 [0,1,0,0,0,0|3,0,0]=4 109 B10R0.19 CSCCC(=O)N(C)CCO WXVL_AN2670SB0361 [0,1,0,0,0,0|3,0,0]=4 110 B10R0.32 CC(C)CC(=O)N(C)CCO WXVL_AN2670SB0063 [0,1,0,0,0,0|3,0,0]=4 111 B10R0.32 CC(C)CC(=O)N(C)CCO WXVL_AN2670SB0063 [0,1,0,0,0,0|3,0,0]=4 112 B10R0.32 CC(O)CC(=O)N(C)CCO WXVL_AN2670SB3643 [0,1,0,0,0,0|3,0,0]=4 113 B10R0.32 CC(O)CC(=O)N(C)CCO WXVL_AN2670SB3643 [0,1,0,0,0,0|3,0,0]=4 114 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C WXVL_AK0030SB0037 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C WXVL_AK0030SB0037 [0,1,0,0,0,0|2,0,1]=4 116 B10R0.32 CCCC(C)C(=O)NC(C)C WXVL_AK0030SB0352 [0,1,0,0,0,0|2,0,1]=4 117 B10R0.32 CCCC(C)C(=O)NC(C)C WXVL_AK0030SB0352 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.32 CCC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3627 [0,1,0,0,0,0|1,0,2]=4 119 B10R0.32 CCC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3627 [0,1,0,0,0,0|1,0,2]=4 120 B10R0.32 CCNC(=O)C(O)CC(C)C WXVL_AK00476SB4281 [0,1,0,0,0,0|1,0,2]=4 121 B10R0.32 CCNC(=O)C(O)CC(C)C WXVL_AK00476SB4281 [0,1,0,0,0,0|1,0,2]=4 122 B10R0.32 CCOC(=O)C(=O)NC(C)C WXVL_AK0030SB4144 [0,1,0,0,0,0|2,0,0]=3 123 B10R0.32 CCOC(=O)C(=O)NC(C)C WXVL_AK0030SB4144 [0,1,0,0,0,0|2,0,0]=3 124 B10R0.33 CCCC(=O)N(CC)CCO WXVL_AN3174SB0073 [0,1,0,0,0,0|3,0,0]=4 125 B10R0.35 CCC(C)C(=O)N(C)CCO WXVL_AN2670SB0054 [0,1,0,0,0,0|3,0,0]=4 126 B10R0.35 CCC(C)C(=O)N(C)CCO WXVL_AN2670SB0054 [0,1,0,0,0,0|3,0,0]=4 127 B10R0.35 CC[C@@H](C)C(=O)N(C)CCO WXVL_AN2670SB00054 [0,1,0,0,0,0|3,0,0]=4 128 B10R0.35 CC[C@@H](C)C(=O)N(C)CCO WXVL_AN2670SB00054 [0,1,0,0,0,0|3,0,0]=4 129 B10R0.35 CC[C@H](O)C(=O)N(C)CCO WXVL_AN2670SB3573 [0,1,0,0,0,0|3,0,0]=4 130 B10R0.35 CC[C@H](O)C(=O)N(C)CCO WXVL_AN2670SB3573 [0,1,0,0,0,0|3,0,0]=4 131 B10R0.129 CCCC(C)(C)C(=O)NCC WXVL_AK00476SB0372 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.129 CCCC(C)(C)C(=O)NCC WXVL_AK00476SB0372 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,1,0,0|2,0,0]=3 134 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,1,0,0|2,0,0]=3 135 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|2,0,1]=4 136 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|2,0,1]=4 137 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|1,0,2]=4 138 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|1,0,2]=4 139 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|1,1,1]=4 140 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|1,1,1]=4 141 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|1,0,2]=4 142 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|1,0,2]=4 143 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [0,0,0,1,0,0|3,0,0]=4 144 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [0,0,0,1,0,0|3,0,0]=4 145 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [0,0,0,1,0,0|3,0,0]=4 146 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [0,0,0,1,0,0|3,0,0]=4 147 B10R1.140 CCCC(=O)N1CC(C1)C WXVL_AN0291SB0073 [0,0,0,1,0,0|2,0,0]=3 148 B10R1.140 CCCC(=O)N1CC(C1)C WXVL_AN0291SB0073 [0,0,0,1,0,0|2,0,0]=3 149 B10R1.140 CCCC(=O)N1CC(C1)O WXVL_AN0284SB0073 [0,0,0,1,0,0|3,0,0]=4 150 B10R1.140 CCCC(=O)N1CC(C1)O WXVL_AN0284SB0073 [0,0,0,1,0,0|3,0,0]=4 151 B10R1.140 COCC(=O)N1CC(C1)C WXVL_AN0291SB0090 [0,0,0,1,0,0|3,0,0]=4 152 B10R1.140 COCC(=O)N1CC(C1)C WXVL_AN0291SB0090 [0,0,0,1,0,0|3,0,0]=4 153 B10R1.140 CSCC(=O)N1CC(C1)C WXVL_AN0291SB1267 [0,0,0,1,0,0|3,0,0]=4 154 B10R1.140 CSCC(=O)N1CC(C1)C WXVL_AN0291SB1267 [0,0,0,1,0,0|3,0,0]=4 155 B10R1.212 CCCC(=O)N(C)C1CC1 WXVL_AN0276SB0073 [0,0,0,1,0,0|2,0,0]=3 156 B10R1.212 CCCC(=O)N(C)C1CC1 WXVL_AN0276SB0073 [0,0,0,1,0,0|2,0,0]=3 157 B10R1.212 CCNC(=O)C(=O)C1CC1 WXVL_AK00476SB3659 [0,0,0,1,0,0|1,0,0]=2 158 B10R1.212 CCNC(=O)C(=O)C1CC1 WXVL_AK00476SB3659 [0,0,0,1,0,0|1,0,0]=2 159 B10R1.212 CN(CCO)C(=O)C1CC1 WXVL_AN2670SB0038 [0,0,0,1,0,0|3,0,0]=4 160 B10R1.212 CN(CCO)C(=O)C1CC1 WXVL_AN2670SB0038 [0,0,0,1,0,0|3,0,0]=4 161 B10R1.212 COCC(=O)N(C)C1CC1 WXVL_AN0276SB0090 [0,0,0,1,0,0|3,0,0]=4 162 B10R1.212 COCC(=O)N(C)C1CC1 WXVL_AN0276SB0090 [0,0,0,1,0,0|3,0,0]=4 163 B10R1.212 CSCC(=O)N(C)C1CC1 WXVL_AN0276SB1267 [0,0,0,1,0,0|3,0,0]=4 164 B10R1.212 CSCC(=O)N(C)C1CC1 WXVL_AN0276SB1267 [0,0,0,1,0,0|3,0,0]=4 165 B10R1.401 CCNC(=O)C1(CCC1)Br WXVL_AK00476SB0465 [0,0,0,1,0,0|2,0,1]=4 166 B10R1.401 CCNC(=O)C1(CCC1)Br WXVL_AK00476SB0465 [0,0,0,1,0,0|2,0,1]=4 167 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,0,0,1,0,0|2,0,1]=4 168 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,0,0,1,0,0|2,0,1]=4 169 B10R1.401 CCNC(=O)C1(CCC1)F WXVL_AK00476SB0033 [0,0,0,1,0,0|2,0,1]=4 170 B10R1.401 CCNC(=O)C1(CCC1)F WXVL_AK00476SB0033 [0,0,0,1,0,0|2,0,1]=4 171 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,0,0,0,0,1|2,0,1]=4 172 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,0,0,0,0,1|2,0,1]=4 173 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,0,0,0,1|1,0,1]=3 174 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,0,0,0,1|1,0,1]=3 175 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,0,0,0,0,1|2,0,1]=4 176 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,0,0,0,0,1|2,0,1]=4 177 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,0,0,0,0,1|2,0,1]=4 178 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,0,0,0,0,1|2,0,1]=4 179 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,0,0,0,0,1|2,0,1]=4 180 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,0,0,0,0,1|2,0,1]=4 181 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [0,0,0,0,0,1|2,0,1]=4 182 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [0,0,0,0,0,1|2,0,1]=4 183 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,0,0,0,0,1|2,0,0]=3 184 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,0,0,0,0,1|2,0,0]=3 185 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 186 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 187 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,0]=3 188 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,0]=3 189 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [2,0,0,0,0,0|2,0,0]=4 190 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [2,0,0,0,0,0|2,0,0]=4 191 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [2,0,0,0,0,0|1,0,1]=4 192 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [2,0,0,0,0,0|1,0,1]=4 193 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 194 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 195 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 196 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 197 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 198 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 199 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [2,0,0,0,0,0|2,0,0]=4 200 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [2,0,0,0,0,0|2,0,0]=4 201 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [2,0,0,0,0,0|1,0,0]=3 202 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [2,0,0,0,0,0|1,0,0]=3 203 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [2,0,0,0,0,0|2,0,0]=4 204 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [2,0,0,0,0,0|2,0,0]=4 205 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [2,0,0,0,0,0|2,0,0]=4 206 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [2,0,0,0,0,0|2,0,0]=4 207 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [2,0,0,0,0,0|1,0,0]=3 208 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [2,0,0,0,0,0|1,0,0]=3 209 B9R0.4 CC(C)CC(=O)NCCF WXVL_AK00466SB0063 [1,1,0,0,0,0|2,0,0]=4 210 B9R0.4 CC(C)CC(=O)NCCF WXVL_AK00466SB0063 [1,1,0,0,0,0|2,0,0]=4 211 B9R0.4 CC(O)CC(=O)NCCF WXVL_AK00466SB3643 [1,1,0,0,0,0|2,0,0]=4 212 B9R0.4 CC(O)CC(=O)NCCF WXVL_AK00466SB3643 [1,1,0,0,0,0|2,0,0]=4 213 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [1,1,0,0,0,0|1,0,0]=3 214 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [1,1,0,0,0,0|1,0,0]=3 215 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [1,1,0,0,0,0|1,0,0]=3 216 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [1,1,0,0,0,0|1,0,0]=3 217 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [1,1,0,0,0,0|2,0,0]=4 218 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [1,1,0,0,0,0|2,0,0]=4 219 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [1,1,0,0,0,0|1,0,1]=4 220 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [1,1,0,0,0,0|1,0,1]=4 221 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [1,1,0,0,0,0|1,0,1]=4 222 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [1,1,0,0,0,0|1,0,1]=4 223 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,1,0,0,0,0|1,0,1]=4 224 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,1,0,0,0,0|1,0,1]=4 225 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [1,1,0,0,0,0|1,0,1]=4 226 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [1,1,0,0,0,0|1,0,1]=4 227 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,1,0,0,0,0|1,0,0]=3 228 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,1,0,0,0,0|1,0,0]=3 229 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,1,0,0,0,0|1,0,0]=3 230 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,1,0,0,0,0|1,0,0]=3 231 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,1,0,0,0,0|0,0,1]=3 232 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,1,0,0,0,0|0,0,1]=3 233 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,1,0,0,0,0|1,0,1]=4 234 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,1,0,0,0,0|1,0,1]=4 235 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,1,0,0,0,0|1,0,1]=4 236 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,1,0,0,0,0|1,0,1]=4 237 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [1,1,0,0,0,0|1,0,1]=4 238 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [1,1,0,0,0,0|1,0,1]=4 239 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,1,0,0,0,0|1,0,1]=4 240 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,1,0,0,0,0|1,0,1]=4 241 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,1,0,0,0,0|1,0,1]=4 242 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,1,0,0,0,0|1,0,1]=4 243 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,1,0,0,0,0|2,0,0]=4 244 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,1,0,0,0,0|2,0,0]=4 245 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [1,1,0,0,0,0|2,0,0]=4 246 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [1,1,0,0,0,0|2,0,0]=4 247 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [1,1,0,0,0,0|2,0,0]=4 248 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [1,1,0,0,0,0|2,0,0]=4 249 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [1,1,0,0,0,0|2,0,0]=4 250 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [1,1,0,0,0,0|2,0,0]=4 251 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [1,1,0,0,0,0|2,0,0]=4 252 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [1,1,0,0,0,0|2,0,0]=4 253 B9R0.8 CCC(C)C(=O)NCCF WXVL_AK00466SB0054 [1,1,0,0,0,0|2,0,0]=4 254 B9R0.8 CCC(C)C(=O)NCCF WXVL_AK00466SB0054 [1,1,0,0,0,0|2,0,0]=4 255 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [1,1,0,0,0,0|1,0,1]=4 256 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [1,1,0,0,0,0|1,0,1]=4 257 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [1,1,0,0,0,0|1,0,0]=3 258 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [1,1,0,0,0,0|1,0,0]=3 259 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [1,1,0,0,0,0|2,0,0]=4 260 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [1,1,0,0,0,0|2,0,0]=4 261 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [1,1,0,0,0,0|1,0,0]=3 262 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [1,1,0,0,0,0|1,0,0]=3 263 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [1,1,0,0,0,0|1,0,0]=3 264 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [1,1,0,0,0,0|1,0,0]=3 265 B9R0.8 CC[C@@H](C)C(=O)NCCF WXVL_AK00466SB00054 [1,1,0,0,0,0|2,0,0]=4 266 B9R0.8 CC[C@@H](C)C(=O)NCCF WXVL_AK00466SB00054 [1,1,0,0,0,0|2,0,0]=4 267 B9R0.8 CC[C@H](O)C(=O)NCCF WXVL_AK00466SB3573 [1,1,0,0,0,0|2,0,0]=4 268 B9R0.8 CC[C@H](O)C(=O)NCCF WXVL_AK00466SB3573 [1,1,0,0,0,0|2,0,0]=4 269 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [1,1,0,0,0,0|1,0,1]=4 270 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [1,1,0,0,0,0|1,0,1]=4 271 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [1,1,0,0,0,0|1,0,1]=4 272 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [1,1,0,0,0,0|1,0,1]=4 273 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [1,1,0,0,0,0|1,0,1]=4 274 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [1,1,0,0,0,0|1,0,1]=4 275 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,1,0,0,0,0|1,0,0]=3 276 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,1,0,0,0,0|1,0,0]=3 277 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,1,0,0,0,0|1,0,0]=3 278 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,1,0,0,0,0|1,0,0]=3 279 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,0]=3 280 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,0]=3 281 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,1,0,0,0,0|1,0,0]=3 282 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,1,0,0,0,0|1,0,0]=3 283 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,1,0,0,0,0|2,0,0]=4 284 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,1,0,0,0,0|2,0,0]=4 285 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 286 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 287 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [1,1,0,0,0,0|2,0,0]=4 288 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [1,1,0,0,0,0|2,0,0]=4 289 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [1,1,0,0,0,0|2,0,0]=4 290 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [1,1,0,0,0,0|2,0,0]=4 291 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [1,1,0,0,0,0|2,0,0]=4 292 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [1,1,0,0,0,0|2,0,0]=4 293 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,1,0,0,0,0|1,0,0]=3 294 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,1,0,0,0,0|1,0,0]=3 295 B9R0.34 CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0073 [1,1,0,0,0,0|2,0,0]=4 296 B9R0.34 CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0073 [1,1,0,0,0,0|2,0,0]=4 297 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [1,1,0,0,0,0|2,0,0]=4 298 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [1,1,0,0,0,0|2,0,0]=4 299 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,1]=4 300 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,1]=4 301 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,1]=4 302 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,1]=4 303 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,1]=4 304 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,1]=4 305 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [1,1,0,0,0,0|2,0,0]=4 306 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [1,1,0,0,0,0|2,0,0]=4 307 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [1,1,0,0,0,0|2,0,0]=4 308 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [1,1,0,0,0,0|2,0,0]=4 309 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [1,1,0,0,0,0|1,0,1]=4 310 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [1,1,0,0,0,0|1,0,1]=4 311 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [1,1,0,0,0,0|1,0,0]=3 312 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [1,1,0,0,0,0|1,0,0]=3 313 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [1,1,0,0,0,0|1,0,0]=3 314 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [1,1,0,0,0,0|1,0,0]=3 315 B9R0.48 CCCC(=O)NCC(F)F WXVL_AK0136SB0073 [1,1,0,0,0,0|2,0,0]=4 316 B9R0.48 CCCC(=O)NCC(F)F WXVL_AK0136SB0073 [1,1,0,0,0,0|2,0,0]=4 317 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [1,1,0,0,0,0|1,0,0]=3 318 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [1,1,0,0,0,0|1,0,0]=3 319 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [1,1,0,0,0,0|1,0,1]=4 320 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [1,1,0,0,0,0|1,0,1]=4 321 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,1]=4 322 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,1]=4 323 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [1,1,0,0,0,0|2,0,0]=4 324 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [1,1,0,0,0,0|2,0,0]=4 325 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [1,1,0,0,0,0|2,0,0]=4 326 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [1,1,0,0,0,0|2,0,0]=4 327 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [1,1,0,0,0,0|2,0,0]=4 328 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [1,1,0,0,0,0|2,0,0]=4 329 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [1,1,0,0,0,0|2,0,0]=4 330 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [1,1,0,0,0,0|2,0,0]=4 331 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [1,1,0,0,0,0|2,0,0]=4 332 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [1,1,0,0,0,0|2,0,0]=4 333 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [1,1,0,0,0,0|2,0,0]=4 334 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [1,1,0,0,0,0|2,0,0]=4 335 B9R0.66 CCCNS(=O)(=O)CCC WXVL_AK00504HU0030 [1,1,0,0,0,0|2,0,0]=4 336 B9R0.66 CCCNS(=O)(=O)CCC WXVL_AK00504HU0030 [1,1,0,0,0,0|2,0,0]=4 337 B9R0.6 CCCC(=O)N(C)C(C)C WXVL_AN0073SB0073 [1,1,0,0,0,0|2,0,0]=4 338 B9R0.6 CCCC(=O)N(C)C(C)C WXVL_AN0073SB0073 [1,1,0,0,0,0|2,0,0]=4 339 B9R0.6 CCNC(=O)C(=O)C(C)C WXVL_AK00476SB2578 [1,1,0,0,0,0|1,0,0]=3 340 B9R0.6 CCNC(=O)C(=O)C(C)C WXVL_AK00476SB2578 [1,1,0,0,0,0|1,0,0]=3 341 B9R0.6 CCOC(=O)C(=O)N(C)C WXVL_AN0032SB4144 [1,1,0,0,0,0|2,0,0]=4 342 B9R0.6 CCOC(=O)C(=O)N(C)C WXVL_AN0032SB4144 [1,1,0,0,0,0|2,0,0]=4 343 B9R0.23 CCC(=O)C(=O)NC(C)C WXVL_AK0030SB0344 [1,1,0,0,0,0|1,0,0]=3 344 B9R0.23 CCC(=O)C(=O)NC(C)C WXVL_AK0030SB0344 [1,1,0,0,0,0|1,0,0]=3 345 B9R0.37 CCCC(=O)N(CC)CC WXVL_AN0042SB0073 [1,1,0,0,0,0|2,0,0]=4 346 B9R0.37 CCCC(=O)N(CC)CC WXVL_AN0042SB0073 [1,1,0,0,0,0|2,0,0]=4 347 B11R0.1 CCC[C@H](C)NC(=O)CC(C)C WXVL_AK00682SB0063 [0,1,0,0,0,1|1,0,1]=4 348 B11R0.1 CCC[C@H](C)NC(=O)CC(C)C WXVL_AK00682SB0063 [0,1,0,0,0,1|1,0,1]=4 349 B11R0.1 CCC[C@H](C)NC(=O)CC(C)O WXVL_AK00682SB3643 [0,1,0,0,0,1|1,0,1]=4 350 B11R0.1 CCC[C@H](C)NC(=O)CC(C)O WXVL_AK00682SB3643 [0,1,0,0,0,1|1,0,1]=4 351 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,1,0,0,0,1|2,0,0]=4 352 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,1,0,0,0,1|2,0,0]=4 353 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,1|1,0,0]=3 354 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,1|1,0,0]=3 355 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,1,0,0,0,1|1,0,1]=4 356 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,1,0,0,0,1|1,0,1]=4 357 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,1,0,0,0,1|1,0,1]=4 358 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,1,0,0,0,1|1,0,1]=4 359 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,1|1,0,1]=4 360 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,1|1,0,1]=4 361 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,1,0,0,0,1|1,0,1]=4 362 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,1,0,0,0,1|1,0,1]=4 363 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,1,0,0,0,1|2,0,0]=4 364 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,1,0,0,0,1|2,0,0]=4 365 B11R0.182 CCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB0073 [0,1,0,0,0,1|0,0,2]=4 366 B11R0.182 CCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB0073 [0,1,0,0,0,1|0,0,2]=4 367 B11R0.187 CCC[C@H](C)NC(=O)C(C)CC WXVL_AK00682SB0054 [0,1,0,0,0,1|1,0,1]=4 368 B11R0.187 CCC[C@H](C)NC(=O)C(C)CC WXVL_AK00682SB0054 [0,1,0,0,0,1|1,0,1]=4 369 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK00682SB3573 [0,1,0,0,0,1|1,0,1]=4 370 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK00682SB3573 [0,1,0,0,0,1|1,0,1]=4 371 B11R0.187 CCC[C@H](C)NC(=O)[C@H](C)CC WXVL_AK00682SB00054 [0,1,0,0,0,1|1,0,1]=4 372 B11R0.187 CCC[C@H](C)NC(=O)[C@H](C)CC WXVL_AK00682SB00054 [0,1,0,0,0,1|1,0,1]=4 373 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [0,2,0,0,0,0|0,0,2]=4 374 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [0,2,0,0,0,0|0,0,2]=4 375 B11R0.11 CCOCC(=O)N(C)CCOC WXVL_AN0085SB0091 [0,2,0,0,0,0|2,0,0]=4 376 B11R0.11 CCOCC(=O)N(C)CCOC WXVL_AN0085SB0091 [0,2,0,0,0,0|2,0,0]=4 377 B11R0.11 CCSCC(=O)N(C)CCOC WXVL_AN0085SB0002 [0,2,0,0,0,0|2,0,0]=4 378 B11R0.11 CCSCC(=O)N(C)CCOC WXVL_AN0085SB0002 [0,2,0,0,0,0|2,0,0]=4 379 B11R0.11 COCCC(=O)N(C)CCOC WXVL_AN0085SB0156 [0,2,0,0,0,0|2,0,0]=4 380 B11R0.11 COCCC(=O)N(C)CCOC WXVL_AN0085SB0156 [0,2,0,0,0,0|2,0,0]=4 381 B11R0.11 COCCN(C)C(=O)CCSC WXVL_AN0085SB0361 [0,2,0,0,0,0|2,0,0]=4 382 B11R0.11 COCCN(C)C(=O)CCSC WXVL_AN0085SB0361 [0,2,0,0,0,0|2,0,0]=4 383 B11R0.12 CCCNC(=O)C(C)(C)CCC WXVL_AK00504SB0372 [0,2,0,0,0,0|1,0,1]=4 384 B11R0.12 CCCNC(=O)C(C)(C)CCC WXVL_AK00504SB0372 [0,2,0,0,0,0|1,0,1]=4 385 B11R0.43 C#C[C@@H](C)NC(=O)C(=O)OCC WXVL_AK00735SB4144 [0,2,0,0,0,0|2,0,0]=4 386 B11R0.43 C#C[C@@H](C)NC(=O)C(=O)OCC WXVL_AK00735SB4144 [0,2,0,0,0,0|2,0,0]=4 387 B11R0.43 C=CC(C)NC(=O)C(=O)OCC WXVL_AK00769SB4144 [0,2,0,0,0,0|2,0,0]=4 388 B11R0.43 C=CC(C)NC(=O)C(=O)OCC WXVL_AK00769SB4144 [0,2,0,0,0,0|2,0,0]=4 389 B11R0.43 CC/C=C(\C)/C(=O)N[C@@H](C)CC WXVL_AK00678SB0037 [0,2,0,0,0,0|1,0,1]=4 390 B11R0.43 CC/C=C(\C)/C(=O)N[C@@H](C)CC WXVL_AK00678SB0037 [0,2,0,0,0,0|1,0,1]=4 391 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CC WXVL_AK00678SB0352 [0,2,0,0,0,0|1,0,1]=4 392 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CC WXVL_AK00678SB0352 [0,2,0,0,0,0|1,0,1]=4 393 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CC WXVL_AK00678SB3627 [0,2,0,0,0,0|0,0,2]=4 394 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CC WXVL_AK00678SB3627 [0,2,0,0,0,0|0,0,2]=4 395 B11R0.43 CCOC(=O)C(=O)NC(C)C#N WXVL_AK00810SB4144 [0,2,0,0,0,0|2,0,0]=4 396 B11R0.43 CCOC(=O)C(=O)NC(C)C#N WXVL_AK00810SB4144 [0,2,0,0,0,0|2,0,0]=4 397 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC WXVL_AK00678SB4144 [0,2,0,0,0,0|1,0,0]=3 398 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC WXVL_AK00678SB4144 [0,2,0,0,0,0|1,0,0]=3 399 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CF WXVL_AK00558SB4144 [0,2,0,0,0,0|2,0,0]=4 400 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CF WXVL_AK00558SB4144 [0,2,0,0,0,0|2,0,0]=4 401 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CO WXVL_AK0109SB4144 [0,2,0,0,0,0|2,0,0]=4 402 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CO WXVL_AK0109SB4144 [0,2,0,0,0,0|2,0,0]=4 403 B11R0.59 C=C(C)CNC(=O)C(=O)OCC WXVL_AK0761SB4144 [0,2,0,0,0,0|1,0,1]=4 404 B11R0.59 C=C(C)CNC(=O)C(=O)OCC WXVL_AK0761SB4144 [0,2,0,0,0,0|1,0,1]=4 405 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)C WXVL_AK00544SB0037 [0,2,0,0,0,0|1,0,1]=4 406 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)C WXVL_AK00544SB0037 [0,2,0,0,0,0|1,0,1]=4 407 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)O WXVL_AK0052SB0037 [0,2,0,0,0,0|1,0,1]=4 408 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)O WXVL_AK0052SB0037 [0,2,0,0,0,0|1,0,1]=4 409 B11R0.59 CC/C=C(\C)/C(=O)NC[C@H](C)O WXVL_AK0113SB0037 [0,2,0,0,0,0|1,0,1]=4 410 B11R0.59 CC/C=C(\C)/C(=O)NC[C@H](C)O WXVL_AK0113SB0037 [0,2,0,0,0,0|1,0,1]=4 411 B11R0.59 CCCC(=O)N(C)CCN(C)C WXVL_AN0052SB0073 [0,2,0,0,0,0|2,0,0]=4 412 B11R0.59 CCCC(=O)N(C)CCN(C)C WXVL_AN0052SB0073 [0,2,0,0,0,0|2,0,0]=4 413 B11R0.59 CCCC(C)C(=O)NCC(C)C WXVL_AK00544SB0352 [0,2,0,0,0,0|1,0,1]=4 414 B11R0.59 CCCC(C)C(=O)NCC(C)C WXVL_AK00544SB0352 [0,2,0,0,0,0|1,0,1]=4 415 B11R0.59 CCCC(C)C(=O)NCC(C)O WXVL_AK0052SB0352 [0,2,0,0,0,0|1,0,1]=4 416 B11R0.59 CCCC(C)C(=O)NCC(C)O WXVL_AK0052SB0352 [0,2,0,0,0,0|1,0,1]=4 417 B11R0.59 CCCC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0352 [0,2,0,0,0,0|1,0,1]=4 418 B11R0.59 CCCC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0352 [0,2,0,0,0,0|1,0,1]=4 419 B11R0.59 CCC[C@H](O)C(=O)NCC(C)C WXVL_AK00544SB3627 [0,2,0,0,0,0|0,0,2]=4 420 B11R0.59 CCC[C@H](O)C(=O)NCC(C)C WXVL_AK00544SB3627 [0,2,0,0,0,0|0,0,2]=4 421 B11R0.59 CCC[C@H](O)C(=O)NCC(C)O WXVL_AK0052SB3627 [0,2,0,0,0,0|0,0,2]=4 422 B11R0.59 CCC[C@H](O)C(=O)NCC(C)O WXVL_AK0052SB3627 [0,2,0,0,0,0|0,0,2]=4 423 B11R0.59 CCC[C@H](O)C(=O)NC[C@H](C)O WXVL_AK0113SB3627 [0,2,0,0,0,0|0,0,2]=4 424 B11R0.59 CCC[C@H](O)C(=O)NC[C@H](C)O WXVL_AK0113SB3627 [0,2,0,0,0,0|0,0,2]=4 425 B11R0.59 CCOC(=O)C(=O)NCC(C)C WXVL_AK00544SB4144 [0,2,0,0,0,0|1,0,0]=3 426 B11R0.59 CCOC(=O)C(=O)NCC(C)C WXVL_AK00544SB4144 [0,2,0,0,0,0|1,0,0]=3 427 B11R0.59 CCOC(=O)C(=O)NCC(C)O WXVL_AK0052SB4144 [0,2,0,0,0,0|1,0,0]=3 428 B11R0.59 CCOC(=O)C(=O)NCC(C)O WXVL_AK0052SB4144 [0,2,0,0,0,0|1,0,0]=3 429 B11R0.59 CCOC(=O)C(=O)NCC(F)F WXVL_AK0136SB4144 [0,2,0,0,0,0|2,0,0]=4 430 B11R0.59 CCOC(=O)C(=O)NCC(F)F WXVL_AK0136SB4144 [0,2,0,0,0,0|2,0,0]=4 431 B11R0.59 CCOC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB4144 [0,2,0,0,0,0|1,0,0]=3 432 B11R0.59 CCOC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB4144 [0,2,0,0,0,0|1,0,0]=3 433 B11R0.68 CCCNC(=O)C(O)CC(C)C WXVL_AK00504SB4281 [0,2,0,0,0,0|0,0,2]=4 434 B11R0.68 CCCNC(=O)C(O)CC(C)C WXVL_AK00504SB4281 [0,2,0,0,0,0|0,0,2]=4 435 B11R0.68 COCCN(C)C(=O)CC(C)C WXVL_AN0085SB0063 [0,2,0,0,0,0|2,0,0]=4 436 B11R0.68 COCCN(C)C(=O)CC(C)C WXVL_AN0085SB0063 [0,2,0,0,0,0|2,0,0]=4 437 B11R0.68 COCCN(C)C(=O)CC(C)O WXVL_AN0085SB3643 [0,2,0,0,0,0|2,0,0]=4 438 B11R0.68 COCCN(C)C(=O)CC(C)O WXVL_AN0085SB3643 [0,2,0,0,0,0|2,0,0]=4 439 B11R0.73 CCC(C)C(=O)N(C)CCOC WXVL_AN0085SB0054 [0,2,0,0,0,0|2,0,0]=4 440 B11R0.73 CCC(C)C(=O)N(C)CCOC WXVL_AN0085SB0054 [0,2,0,0,0,0|2,0,0]=4 441 B11R0.73 CC[C@@H](C)C(=O)N(C)CCOC WXVL_AN0085SB00054 [0,2,0,0,0,0|2,0,0]=4 442 B11R0.73 CC[C@@H](C)C(=O)N(C)CCOC WXVL_AN0085SB00054 [0,2,0,0,0,0|2,0,0]=4 443 B11R0.73 CC[C@H](O)C(=O)N(C)CCOC WXVL_AN0085SB3573 [0,2,0,0,0,0|2,0,0]=4 444 B11R0.73 CC[C@H](O)C(=O)N(C)CCOC WXVL_AN0085SB3573 [0,2,0,0,0,0|2,0,0]=4 445 B11R0.155 C#CCCNC(=O)C(=O)OCC WXVL_AK3109SB4144 [0,2,0,0,0,0|1,0,1]=4 446 B11R0.155 C#CCCNC(=O)C(=O)OCC WXVL_AK3109SB4144 [0,2,0,0,0,0|1,0,1]=4 447 B11R0.155 C=CCCNC(=O)C(=O)OCC WXVL_AK00138SB4144 [0,2,0,0,0,0|1,0,1]=4 448 B11R0.155 C=CCCNC(=O)C(=O)OCC WXVL_AK00138SB4144 [0,2,0,0,0,0|1,0,1]=4 449 B11R0.155 CC/C=C(\C)/C(=O)NCCCC WXVL_AK00588SB0037 [0,2,0,0,0,0|1,0,1]=4 450 B11R0.155 CC/C=C(\C)/C(=O)NCCCC WXVL_AK00588SB0037 [0,2,0,0,0,0|1,0,1]=4 451 B11R0.155 CC/C=C(\C)/C(=O)NCCCO WXVL_AK0073SB0037 [0,2,0,0,0,0|1,0,1]=4 452 B11R0.155 CC/C=C(\C)/C(=O)NCCCO WXVL_AK0073SB0037 [0,2,0,0,0,0|1,0,1]=4 453 B11R0.155 CC/C=C(\C)/C(=O)NCCSC WXVL_AK00440SB0037 [0,2,0,0,0,0|1,0,1]=4 454 B11R0.155 CC/C=C(\C)/C(=O)NCCSC WXVL_AK00440SB0037 [0,2,0,0,0,0|1,0,1]=4 455 B11R0.155 CCCC(C)C(=O)NCCCO WXVL_AK0073SB0352 [0,2,0,0,0,0|1,0,1]=4 456 B11R0.155 CCCC(C)C(=O)NCCCO WXVL_AK0073SB0352 [0,2,0,0,0,0|1,0,1]=4 457 B11R0.155 CCCC(C)C(=O)NCCSC WXVL_AK00440SB0352 [0,2,0,0,0,0|1,0,1]=4 458 B11R0.155 CCCC(C)C(=O)NCCSC WXVL_AK00440SB0352 [0,2,0,0,0,0|1,0,1]=4 459 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,2,0,0,0,0|1,0,0]=3 460 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,2,0,0,0,0|1,0,0]=3 461 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [0,2,0,0,0,0|1,0,1]=4 462 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [0,2,0,0,0,0|1,0,1]=4 463 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [0,2,0,0,0,0|0,0,2]=4 464 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [0,2,0,0,0,0|0,0,2]=4 465 B11R0.155 CCC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3627 [0,2,0,0,0,0|0,0,2]=4 466 B11R0.155 CCC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3627 [0,2,0,0,0,0|0,0,2]=4 467 B11R0.155 CCC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3627 [0,2,0,0,0,0|0,0,2]=4 468 B11R0.155 CCC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3627 [0,2,0,0,0,0|0,0,2]=4 469 B11R0.155 CCOC(=O)C(=O)NCCC#N WXVL_AK0087SB4144 [0,2,0,0,0,0|1,0,1]=4 470 B11R0.155 CCOC(=O)C(=O)NCCC#N WXVL_AK0087SB4144 [0,2,0,0,0,0|1,0,1]=4 471 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [0,2,0,0,0,0|1,0,0]=3 472 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [0,2,0,0,0,0|1,0,0]=3 473 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [0,2,0,0,0,0|1,0,0]=3 474 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [0,2,0,0,0,0|1,0,0]=3 475 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C WXVL_AN0073SB4144 [0,2,0,0,0,0|2,0,0]=4 476 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C WXVL_AN0073SB4144 [0,2,0,0,0,0|2,0,0]=4 477 B11R0.186 CCOC(=O)C(=O)NC(C)(C)C WXVL_AK0024SB4144 [0,2,0,0,0,0|2,0,0]=4 478 B11R0.186 CCOC(=O)C(=O)NC(C)(C)C WXVL_AK0024SB4144 [0,2,0,0,0,0|2,0,0]=4 479 B11R0.57 CCCC(=O)N(CCC)C(C)C WXVL_AN7248SB0073 [0,2,0,0,0,0|2,0,0]=4 480 B11R0.61 CCCC(=O)N(CCC)CCC WXVL_AN00632SB0073 [0,2,0,0,0,0|2,0,0]=4 481 B11R0.179 CCOC(=O)C(=O)N(CC)CC WXVL_AN0042SB4144 [0,2,0,0,0,0|2,0,0]=4 482 B11R0.179 CCOC(=O)C(=O)N(CC)CC WXVL_AN0042SB4144 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,1]=4 484 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,1]=4 485 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [1,0,0,1,0,0|1,0,0]=3 486 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [1,0,0,1,0,0|1,0,0]=3 487 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,1]=4 488 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,1]=4 489 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [1,0,0,1,0,0|2,0,0]=4 490 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [1,0,0,1,0,0|2,0,0]=4 491 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [1,0,0,1,0,0|2,0,0]=4 492 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [1,0,0,1,0,0|2,0,0]=4 493 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [1,0,0,1,0,0|1,0,0]=3 494 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [1,0,0,1,0,0|1,0,0]=3 495 B9R1.100 O=C(NCCF)C1CC1 WXVL_AK00466SB0038 [1,0,0,1,0,0|2,0,0]=4 496 B9R1.100 O=C(NCCF)C1CC1 WXVL_AK00466SB0038 [1,0,0,1,0,0|2,0,0]=4 497 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,1]=4 498 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,1]=4 499 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [1,0,0,1,0,0|2,0,0]=4 500 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [1,0,0,1,0,0|2,0,0]=4 501 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [1,0,0,1,0,0|2,0,0]=4 502 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [1,0,0,1,0,0|2,0,0]=4 503 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [1,0,0,1,0,0|2,0,0]=4 504 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [1,0,0,1,0,0|2,0,0]=4 505 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [1,0,0,1,0,0|1,0,0]=3 506 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [1,0,0,1,0,0|1,0,0]=3 507 B11R1.199 CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0073 [0,0,0,1,0,1|1,0,1]=4 508 B11R1.201 CCCC(=O)NC1CC(C1)C WXVL_AK0309SB0073 [0,0,0,1,0,1|1,0,1]=4 509 B11R1.201 CCCC(=O)NC1CC(C1)C WXVL_AK0309SB0073 [0,0,0,1,0,1|1,0,1]=4 510 B11R1.334 CCCC(=O)NC(C)C1CC1 WXVL_AK00200SB0073 [0,0,0,1,0,1|1,0,1]=4 511 B11R1.334 CCCC(=O)NC(C)C1CC1 WXVL_AK00200SB0073 [0,0,0,1,0,1|1,0,1]=4 512 B11R1.334 CCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0073 [0,0,0,1,0,1|1,0,1]=4 513 B11R1.334 CCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0073 [0,0,0,1,0,1|1,0,1]=4 514 B11R1.334 CCC[C@H](C)NC(=O)C1CC1 WXVL_AK00682SB0038 [0,0,0,1,0,1|1,0,1]=4 515 B11R1.334 CCC[C@H](C)NC(=O)C1CC1 WXVL_AK00682SB0038 [0,0,0,1,0,1|1,0,1]=4 516 B11R1.15 CCCC(=O)N1CCC(C1)Br WXVL_AN00715SB0073 [0,1,0,1,0,0|2,0,0]=4 517 B11R1.15 CCCC(=O)N1CCC(C1)C WXVL_AN0556SB0073 [0,1,0,1,0,0|2,0,0]=4 518 B11R1.15 CCCC(=O)N1CCC(C1)C WXVL_AN0556SB0073 [0,1,0,1,0,0|2,0,0]=4 519 B11R1.15 CCCC(=O)N1CCC(C1)F WXVL_AN00338SB0073 [0,1,0,1,0,0|2,0,0]=4 520 B11R1.15 CCCC(=O)N1CCC(C1)F WXVL_AN00338SB0073 [0,1,0,1,0,0|2,0,0]=4 521 B11R1.15 CCCC(=O)N1CCC(C1)O WXVL_AN0158SB0073 [0,1,0,1,0,0|2,0,0]=4 522 B11R1.15 CCCC(=O)N1CCC(C1)O WXVL_AN0158SB0073 [0,1,0,1,0,0|2,0,0]=4 523 B11R1.15 CCCC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0073 [0,1,0,1,0,0|2,0,0]=4 524 B11R1.15 CCCC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0073 [0,1,0,1,0,0|2,0,0]=4 525 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0073 [0,1,0,1,0,0|2,0,0]=4 526 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0073 [0,1,0,1,0,0|2,0,0]=4 527 B11R1.15 CCCC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0073 [0,1,0,1,0,0|2,0,0]=4 528 B11R1.15 CCCC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0073 [0,1,0,1,0,0|2,0,0]=4 529 B11R1.15 CCCC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0073 [0,1,0,1,0,0|2,0,0]=4 530 B11R1.15 CCCC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0073 [0,1,0,1,0,0|2,0,0]=4 531 B11R1.15 CCCC(=O)N1CC[C@H](C1)O WXVL_AN00543SB0073 [0,1,0,1,0,0|2,0,0]=4 532 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,1,0,1,0,0|2,0,0]=4 533 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,1,0,1,0,0|2,0,0]=4 534 B11R1.16 CCCC(=O)N1CCSCC1 WXVL_AN0896SB0073 [0,1,0,1,0,0|2,0,0]=4 535 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [0,1,0,1,0,0|1,0,1]=4 536 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [0,1,0,1,0,0|1,0,1]=4 537 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [0,1,0,1,0,0|1,0,1]=4 538 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [0,1,0,1,0,0|1,0,1]=4 539 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [0,1,0,1,0,0|1,0,1]=4 540 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [0,1,0,1,0,0|1,0,1]=4 541 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [0,1,0,1,0,0|0,0,2]=4 542 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [0,1,0,1,0,0|0,0,2]=4 543 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [0,1,0,1,0,0|0,1,1]=4 544 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [0,1,0,1,0,0|0,1,1]=4 545 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [0,1,0,1,0,0|0,0,2]=4 546 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [0,1,0,1,0,0|0,0,2]=4 547 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,1,0,1,0,0|2,0,0]=4 548 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,1,0,1,0,0|2,0,0]=4 549 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [0,1,0,1,0,0|2,0,0]=4 550 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [0,1,0,1,0,0|2,0,0]=4 551 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [0,1,0,1,0,0|2,0,0]=4 552 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [0,1,0,1,0,0|2,0,0]=4 553 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [0,1,0,1,0,0|2,0,0]=4 554 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [0,1,0,1,0,0|2,0,0]=4 555 B11R1.287 CCOCC(=O)N1CC(C1)C WXVL_AN0291SB0091 [0,1,0,1,0,0|2,0,0]=4 556 B11R1.287 CCOCC(=O)N1CC(C1)C WXVL_AN0291SB0091 [0,1,0,1,0,0|2,0,0]=4 557 B11R1.287 CCSCC(=O)N1CC(C1)C WXVL_AN0291SB0002 [0,1,0,1,0,0|2,0,0]=4 558 B11R1.287 CCSCC(=O)N1CC(C1)C WXVL_AN0291SB0002 [0,1,0,1,0,0|2,0,0]=4 559 B11R1.287 COCCC(=O)N1CC(C1)C WXVL_AN0291SB0156 [0,1,0,1,0,0|2,0,0]=4 560 B11R1.287 COCCC(=O)N1CC(C1)C WXVL_AN0291SB0156 [0,1,0,1,0,0|2,0,0]=4 561 B11R1.287 CSCCC(=O)N1CC(C1)C WXVL_AN0291SB0361 [0,1,0,1,0,0|2,0,0]=4 562 B11R1.287 CSCCC(=O)N1CC(C1)C WXVL_AN0291SB0361 [0,1,0,1,0,0|2,0,0]=4 563 B11R1.351 CC/C=C(\C)/C(=O)NC1CC1 WXVL_AK0001SB0037 [0,1,0,1,0,0|1,0,1]=4 564 B11R1.351 CC/C=C(\C)/C(=O)NC1CC1 WXVL_AK0001SB0037 [0,1,0,1,0,0|1,0,1]=4 565 B11R1.351 CCCC(C)C(=O)NC1CC1 WXVL_AK0001SB0352 [0,1,0,1,0,0|1,0,1]=4 566 B11R1.351 CCCC(C)C(=O)NC1CC1 WXVL_AK0001SB0352 [0,1,0,1,0,0|1,0,1]=4 567 B11R1.351 CCC[C@H](O)C(=O)NC1CC1 WXVL_AK0001SB3627 [0,1,0,1,0,0|0,0,2]=4 568 B11R1.351 CCC[C@H](O)C(=O)NC1CC1 WXVL_AK0001SB3627 [0,1,0,1,0,0|0,0,2]=4 569 B11R1.351 CCOC(=O)C(=O)NC1CC1 WXVL_AK0001SB4144 [0,1,0,1,0,0|1,0,0]=3 570 B11R1.351 CCOC(=O)C(=O)NC1CC1 WXVL_AK0001SB4144 [0,1,0,1,0,0|1,0,0]=3 571 B11R1.526 C=CCNC(=O)C(=O)C1CC1 WXVL_AK00561SB3659 [0,1,0,1,0,0|0,0,2]=4 572 B11R1.526 C=CCNC(=O)C(=O)C1CC1 WXVL_AK00561SB3659 [0,1,0,1,0,0|0,0,2]=4 573 B11R1.526 CCCNC(=O)C(=O)C1CC1 WXVL_AK00504SB3659 [0,1,0,1,0,0|0,0,0]=2 574 B11R1.526 CCCNC(=O)C(=O)C1CC1 WXVL_AK00504SB3659 [0,1,0,1,0,0|0,0,0]=2 575 B11R1.526 CCOCC(=O)N(C)C1CC1 WXVL_AN0276SB0091 [0,1,0,1,0,0|2,0,0]=4 576 B11R1.526 CCOCC(=O)N(C)C1CC1 WXVL_AN0276SB0091 [0,1,0,1,0,0|2,0,0]=4 577 B11R1.526 CCSCC(=O)N(C)C1CC1 WXVL_AN0276SB0002 [0,1,0,1,0,0|2,0,0]=4 578 B11R1.526 CCSCC(=O)N(C)C1CC1 WXVL_AN0276SB0002 [0,1,0,1,0,0|2,0,0]=4 579 B11R1.526 COCCC(=O)N(C)C1CC1 WXVL_AN0276SB0156 [0,1,0,1,0,0|2,0,0]=4 580 B11R1.526 COCCC(=O)N(C)C1CC1 WXVL_AN0276SB0156 [0,1,0,1,0,0|2,0,0]=4 581 B11R1.526 COCCN(C)C(=O)C1CC1 WXVL_AN0085SB0038 [0,1,0,1,0,0|2,0,0]=4 582 B11R1.526 COCCN(C)C(=O)C1CC1 WXVL_AN0085SB0038 [0,1,0,1,0,0|2,0,0]=4 583 B11R1.526 CSCCC(=O)N(C)C1CC1 WXVL_AN0276SB0361 [0,1,0,1,0,0|2,0,0]=4 584 B11R1.526 CSCCC(=O)N(C)C1CC1 WXVL_AN0276SB0361 [0,1,0,1,0,0|2,0,0]=4 585 B11R1.526 N#CCNC(=O)C(=O)C1CC1 WXVL_AK0683SB3659 [0,1,0,1,0,0|1,0,1]=4 586 B11R1.526 N#CCNC(=O)C(=O)C1CC1 WXVL_AK0683SB3659 [0,1,0,1,0,0|1,0,1]=4 587 B11R1.526 O=C(NCCF)C(=O)C1CC1 WXVL_AK00466SB3659 [0,1,0,1,0,0|1,0,0]=3 588 B11R1.526 O=C(NCCF)C(=O)C1CC1 WXVL_AK00466SB3659 [0,1,0,1,0,0|1,0,0]=3 589 B11R1.996 CCCNC(=O)C1(CCC1)Br WXVL_AK00504SB0465 [0,1,0,1,0,0|1,0,1]=4 590 B11R1.996 CCCNC(=O)C1(CCC1)Br WXVL_AK00504SB0465 [0,1,0,1,0,0|1,0,1]=4 591 B11R1.996 CCCNC(=O)C1(CCC1)C WXVL_AK00504SB0805 [0,1,0,1,0,0|1,0,1]=4 592 B11R1.996 CCCNC(=O)C1(CCC1)C WXVL_AK00504SB0805 [0,1,0,1,0,0|1,0,1]=4 593 B11R1.996 CCCNC(=O)C1(CCC1)F WXVL_AK00504SB0033 [0,1,0,1,0,0|1,0,1]=4 594 B11R1.996 CCCNC(=O)C1(CCC1)F WXVL_AK00504SB0033 [0,1,0,1,0,0|1,0,1]=4 595 B11R1.77 CC(C)CC(=O)N1CCCC1 WXVL_AN0008SB0063 [0,1,0,1,0,0|2,0,0]=4 596 B11R1.77 CC(C)CC(=O)N1CCCC1 WXVL_AN0008SB0063 [0,1,0,1,0,0|2,0,0]=4 597 B11R1.77 CC(O)CC(=O)N1CCCC1 WXVL_AN0008SB3643 [0,1,0,1,0,0|2,0,0]=4 598 B11R1.77 CC(O)CC(=O)N1CCCC1 WXVL_AN0008SB3643 [0,1,0,1,0,0|2,0,0]=4 599 B11R1.152 CC(C)CC(=O)N1CC(C1)C WXVL_AN0291SB0063 [0,1,0,1,0,0|2,0,0]=4 600 B11R1.152 CC(C)CC(=O)N1CC(C1)C WXVL_AN0291SB0063 [0,1,0,1,0,0|2,0,0]=4 601 B11R1.152 CC(O)CC(=O)N1CC(C1)C WXVL_AN0291SB3643 [0,1,0,1,0,0|2,0,0]=4 602 B11R1.152 CC(O)CC(=O)N1CC(C1)C WXVL_AN0291SB3643 [0,1,0,1,0,0|2,0,0]=4 603 B11R1.719 CC(C)CC(=O)N(C)C1CC1 WXVL_AN0276SB0063 [0,1,0,1,0,0|2,0,0]=4 604 B11R1.719 CC(C)CC(=O)N(C)C1CC1 WXVL_AN0276SB0063 [0,1,0,1,0,0|2,0,0]=4 605 B11R1.719 CC(C)NC(=O)C(=O)C1CC1 WXVL_AK0030SB3659 [0,1,0,1,0,0|1,0,0]=3 606 B11R1.719 CC(C)NC(=O)C(=O)C1CC1 WXVL_AK0030SB3659 [0,1,0,1,0,0|1,0,0]=3 607 B11R1.719 CC(O)CC(=O)N(C)C1CC1 WXVL_AN0276SB3643 [0,1,0,1,0,0|2,0,0]=4 608 B11R1.719 CC(O)CC(=O)N(C)C1CC1 WXVL_AN0276SB3643 [0,1,0,1,0,0|2,0,0]=4 609 B11R1.821 CCCC(=O)N1CC(C1)(C)O WXVL_AN0497SB0073 [0,1,0,1,0,0|2,0,0]=4 610 B11R1.821 CCCC(=O)N1CC(C1)(C)O WXVL_AN0497SB0073 [0,1,0,1,0,0|2,0,0]=4 611 B11R1.823 CCCC(=O)N(CC)C1CC1 WXVL_AN0137SB0073 [0,1,0,1,0,0|2,0,0]=4 612 B11R1.823 CCCC(=O)N(CC)C1CC1 WXVL_AN0137SB0073 [0,1,0,1,0,0|2,0,0]=4 613 B11R1.31 CCC(C)C(=O)N1CCCC1 WXVL_AN0008SB0054 [0,1,0,1,0,0|2,0,0]=4 614 B11R1.31 CCC(C)C(=O)N1CCCC1 WXVL_AN0008SB0054 [0,1,0,1,0,0|2,0,0]=4 615 B11R1.31 CC[C@@H](C)C(=O)N1CCCC1 WXVL_AN0008SB00054 [0,1,0,1,0,0|2,0,0]=4 616 B11R1.31 CC[C@@H](C)C(=O)N1CCCC1 WXVL_AN0008SB00054 [0,1,0,1,0,0|2,0,0]=4 617 B11R1.31 CC[C@H](O)C(=O)N1CCCC1 WXVL_AN0008SB3573 [0,1,0,1,0,0|2,0,0]=4 618 B11R1.31 CC[C@H](O)C(=O)N1CCCC1 WXVL_AN0008SB3573 [0,1,0,1,0,0|2,0,0]=4 619 B11R1.296 CCC(C)C(=O)N1CC(C1)C WXVL_AN0291SB0054 [0,1,0,1,0,0|2,0,0]=4 620 B11R1.296 CCC(C)C(=O)N1CC(C1)C WXVL_AN0291SB0054 [0,1,0,1,0,0|2,0,0]=4 621 B11R1.296 CC[C@@H](C)C(=O)N1CC(C1)C WXVL_AN0291SB00054 [0,1,0,1,0,0|2,0,0]=4 622 B11R1.296 CC[C@@H](C)C(=O)N1CC(C1)C WXVL_AN0291SB00054 [0,1,0,1,0,0|2,0,0]=4 623 B11R1.296 CC[C@H](O)C(=O)N1CC(C1)C WXVL_AN0291SB3573 [0,1,0,1,0,0|2,0,0]=4 624 B11R1.296 CC[C@H](O)C(=O)N1CC(C1)C WXVL_AN0291SB3573 [0,1,0,1,0,0|2,0,0]=4 625 B11R1.385 CCC(C)C(=O)N(C)C1CC1 WXVL_AN0276SB0054 [0,1,0,1,0,0|2,0,0]=4 626 B11R1.385 CCC(C)C(=O)N(C)C1CC1 WXVL_AN0276SB0054 [0,1,0,1,0,0|2,0,0]=4 627 B11R1.385 CC[C@@H](C)C(=O)N(C)C1CC1 WXVL_AN0276SB00054 [0,1,0,1,0,0|2,0,0]=4 628 B11R1.385 CC[C@@H](C)C(=O)N(C)C1CC1 WXVL_AN0276SB00054 [0,1,0,1,0,0|2,0,0]=4 629 B11R1.385 CC[C@H](O)C(=O)N(C)C1CC1 WXVL_AN0276SB3573 [0,1,0,1,0,0|2,0,0]=4 630 B11R1.385 CC[C@H](O)C(=O)N(C)C1CC1 WXVL_AN0276SB3573 [0,1,0,1,0,0|2,0,0]=4 631 B11R2.1031 O=C(C1CC1)N2CCCC2 WXVL_AN0008SB0038 [0,0,0,2,0,0|2,0,0]=4 632 B11R2.1031 O=C(C1CC1)N2CCCC2 WXVL_AN0008SB0038 [0,0,0,2,0,0|2,0,0]=4 633 B11R2.548 CC1CN(C1)C(=O)C2CC2 WXVL_AN0291SB0038 [0,0,0,2,0,0|2,0,0]=4 634 B11R2.548 CC1CN(C1)C(=O)C2CC2 WXVL_AN0291SB0038 [0,0,0,2,0,0|2,0,0]=4 635 B11R2.1032 CN(C(=O)C1CC1)C2CC2 WXVL_AN0276SB0038 [0,0,0,2,0,0|2,0,0]=4 636 B11R2.1032 CN(C(=O)C1CC1)C2CC2 WXVL_AN0276SB0038 [0,0,0,2,0,0|2,0,0]=4 637 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [0,0,0,0,0,2|2,0,0]=4 638 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [0,0,0,0,0,2|2,0,0]=4 639 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,0,0,0,0,2|2,0,0]=4 640 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,0,0,0,0,2|2,0,0]=4