0 B8R0.2 C#C[C@@H](O)[C@H](N)C(=O)O CNP0244576.1 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.2 C=C(C(=O)O)[C@H](O)CO CNP0177304.1 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.2 C=CC(=C)[C@H](N)C(=O)O CNP0273859.1 [0,0,0,0,0,0|0,0,4]=4 7 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,0,0,0,0,0|0,0,0]=0 14 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,0,0,0,0,0|1,0,1]=2 16 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,0,0,0,0,0|0,0,0]=0 17 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,0,0,0,0,0|0,0,0]=0 19 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,0,0,0,0,0|1,0,0]=1 20 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,0,0,0,0,0|1,0,1]=2 23 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,0,0,0,0,0|0,0,0]=0 24 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.2 CC[C@H](C)[C@H](C)C(C)C CNP0324956.1 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,0,0,0,0,0|0,0,0]=0 27 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,0,0,0,0,0|1,0,0]=1 31 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,0,0,0,0,0|1,0,0]=1 32 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,0,0,0,0,0|1,0,0]=1 33 B8R0.2 NC(=O)[C@H](O)[C@H](O)CO CNP0299919.1 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.2 NCC(=O)[C@H](O)C(=O)O CNP0311404.1 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [0,0,0,0,0,0|2,0,0]=2 39 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,0,0,0,0,0|2,0,0]=2 40 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,0,0,0,0,0|2,0,0]=2 41 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [0,0,0,0,0,0|2,0,0]=2 44 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,0,0,0,0,0|2,0,0]=2 45 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,0,0,0,0,0|3,0,0]=3 47 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,0,0,0,0,0|3,0,0]=3 49 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,0,0,0,0,0|3,0,0]=3 50 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CNP0144827.5 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,0,0,0,0,0|0,0,2]=3 55 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,0,0,0,0,0|0,0,2]=3 57 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,0,0,0,0,0|0,0,0]=1 60 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,0,0,0,0,0|1,0,0]=2 63 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,0,0,0,0,0|0,0,0]=1 64 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [1,0,0,0,0,0|2,1,0]=4 66 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [1,0,0,0,0,0|2,1,0]=4 67 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [1,0,0,0,0,0|0,0,2]=3 82 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [1,0,0,0,0,0|0,0,2]=3 83 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,0,0,0,0,0|3,0,0]=4 84 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,0,0,0,0,0|1,0,2]=4 87 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,0,0,0,0,0|0,0,2]=3 88 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,0,0,0,0,0|0,0,2]=3 89 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,0,0,0,0,0|1,0,2]=4 90 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,0,0,0,0,0|1,0,2]=4 91 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,0,0,0,0|1,0,1]=3 94 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,0,0,0,0,0|2,0,0]=3 97 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,0,0,0,0|1,0,0]=2 98 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,0,0,0,0,0|0,0,0]=1 99 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,0,0,0,0,0|2,0,0]=3 100 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,0,0,0,0|1,0,0]=2 103 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,0,0,0,0,0|1,0,0]=2 104 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,0,0,0,0,0|0,0,0]=1 105 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,0,0,0,0,0|1,0,0]=2 106 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,0,0,0,0,0|3,0,0]=4 107 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,0,0,0,0,0|1,0,0]=2 108 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,0,0,0,0,0|1,0,0]=2 109 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,0,0,0,0,0|1,0,0]=2 110 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,0,0,0,0,0|1,0,0]=2 111 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,0,0,0,0,0|2,0,0]=3 112 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,0,0,0,0,0|2,0,0]=3 113 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,0,0,0,0,0|1,0,0]=2 114 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [1,0,0,0,0,0|1,0,1]=3 115 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [1,0,0,0,0,0|1,0,1]=3 116 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [1,0,0,0,0,0|2,0,0]=3 117 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,0,0,0,0,0|1,0,0]=2 118 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,0,0,0,0,0|1,0,0]=2 119 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [1,0,0,0,0,0|2,0,0]=3 120 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,0,0,0,0,0|1,0,1]=3 121 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,0,0,0,0,0|1,0,0]=2 122 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,0,0,0,0,0|1,0,0]=2 123 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,0,0,0,0,0|1,0,0]=2 124 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [1,0,0,0,0,0|2,0,0]=3 125 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [1,0,0,0,0,0|2,0,0]=3 126 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [1,0,0,0,0,0|2,0,0]=3 127 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [1,0,0,0,0,0|2,0,0]=3 128 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,0,0,0,0,0|1,0,1]=3 129 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,0,0,0,0,0|1,0,0]=2 130 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,0,0,0,0,0|1,0,0]=2 131 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [1,0,0,0,0,0|2,0,0]=3 132 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,0,0,0,0,0|2,0,0]=3 134 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,0,0,0,0,0|2,0,1]=4 135 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [1,0,0,0,0,0|0,0,0]=1 136 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [1,0,0,0,0,0|2,0,0]=3 137 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [1,0,0,0,0,0|0,0,1]=2 141 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [1,0,0,0,0,0|2,0,0]=3 142 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [1,0,0,0,0,0|3,0,0]=4 143 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [1,0,0,0,0,0|1,0,2]=4 146 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [1,0,0,0,0,0|1,0,2]=4 147 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [1,0,0,0,0,0|2,0,0]=3 150 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [1,0,0,0,0,0|3,0,0]=4 151 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [1,0,0,0,0,0|2,0,0]=3 152 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [1,0,0,0,0,0|2,0,0]=3 153 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [1,0,0,0,0,0|1,0,1]=3 154 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [1,0,0,0,0,0|1,0,1]=3 156 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [1,0,0,0,0,0|0,0,0]=1 158 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [1,0,0,0,0,0|2,0,0]=3 159 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [1,0,0,0,0,0|1,0,0]=2 160 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [1,0,0,0,0,0|0,0,0]=1 161 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [1,0,0,0,0,0|1,0,0]=2 162 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [1,0,0,0,0,0|3,0,0]=4 163 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [1,0,0,0,0,0|2,0,0]=3 165 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [1,0,0,0,0,0|2,0,0]=3 166 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [1,0,0,0,0,0|2,0,0]=3 167 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [1,0,0,0,0,0|1,0,0]=2 168 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [1,0,0,0,0,0|1,0,0]=2 169 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [1,0,0,0,0,0|2,0,1]=4 170 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [1,0,0,0,0,0|1,0,0]=2 171 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [1,0,0,0,0,0|2,0,0]=3 172 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [1,0,0,0,0,0|1,0,0]=2 173 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [1,0,0,0,0,0|2,0,0]=3 174 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [1,0,0,0,0,0|1,0,0]=2 175 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [1,0,0,0,0,0|2,0,0]=3 176 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [1,0,0,0,0,0|1,0,0]=2 177 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [1,0,0,0,0,0|1,0,0]=2 178 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [1,0,0,0,0,0|2,0,0]=3 179 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [1,0,0,0,0,0|2,0,0]=3 180 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [1,0,0,0,0,0|2,0,0]=3 181 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [1,0,0,0,0,0|1,0,0]=2 182 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [1,0,0,0,0,0|1,0,0]=2 183 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [1,0,0,0,0,0|2,0,0]=3 184 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [1,0,0,0,0,0|1,0,0]=2 185 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [1,0,0,0,0,0|2,0,0]=3 186 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [1,0,0,0,0,0|2,0,0]=3 187 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [1,0,0,0,0,0|1,0,0]=2 188 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [1,0,0,0,0,0|1,0,0]=2 189 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [1,0,0,0,0,0|1,0,0]=2 190 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [1,0,0,0,0,0|2,0,1]=4 191 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [1,0,0,0,0,0|0,0,0]=1 192 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [0,1,0,0,0,0|0,0,2]=3 193 B9R0.6 CC#C[C@@H](O)[C@H](N)C(=O)O CNP0185088.1 [0,1,0,0,0,0|1,0,1]=3 194 B9R0.6 CC#C[C@H](O)[C@H](N)C(=O)O CNP0185088.2 [0,1,0,0,0,0|1,0,1]=3 195 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,1,0,0,0,0|0,0,0]=1 196 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,1,0,0,0,0|0,0,0]=1 197 B9R0.6 NCC[C@@H](O)[C@@H](N)C(=O)O CNP0172709.2 [0,1,0,0,0,0|1,0,0]=2 198 B9R0.6 NCC[C@H](O)[C@@H](N)C(=O)O CNP0172709.1 [0,1,0,0,0,0|1,0,0]=2 199 B9R0.25 CC[C@@H](C)[C@@H](N)P(=O)(O)O CNP0066910.1 [0,1,0,0,0,0|1,0,0]=2 200 B9R0.25 CC[C@H](N)[C@H](O)P(=O)(O)O CNP0355399.1 [0,1,0,0,0,0|3,0,0]=4 201 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [0,1,0,0,0,0|2,0,1]=4 202 B9R0.27 CCC(=O)[C@@H](C)[C@@H](O)CC CNP0412913.2 [0,1,0,0,0,0|3,0,0]=4 203 B9R0.27 CCC(=O)[C@H](C)[C@H](O)CC CNP0412913.1 [0,1,0,0,0,0|3,0,0]=4 204 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,1,0,0,0,0|1,0,1]=3 205 B9R0.27 CC[C@@H](O)[C@@H](C)C(=O)OC CNP0229138.1 [0,1,0,0,0,0|2,0,0]=3 206 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [0,1,0,0,0,0|0,0,0]=1 207 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [0,1,0,0,0,0|1,0,0]=2 208 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO CNP0266174.1 [0,1,0,0,0,0|3,0,0]=4 209 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO CNP0266174.4 [0,1,0,0,0,0|3,0,0]=4 210 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO CNP0266174.2 [0,1,0,0,0,0|3,0,0]=4 211 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO CNP0266174.3 [0,1,0,0,0,0|3,0,0]=4 212 B9R0.28 CCN(C)C(C)(C)C(=O)O CNP0593233.0 [0,1,0,0,0,0|2,0,0]=3 213 B9R0.28 C[C@@](O)(C(=O)O)[C@H](O)CO CNP0198726.1 [0,1,0,0,0,0|3,0,0]=4 214 B9R0.28 C[C@](O)(C(=O)O)[C@@H](O)CO CNP0198726.3 [0,1,0,0,0,0|3,0,0]=4 215 B9R0.28 C[C@](O)(C(=O)O)[C@H](O)CO CNP0198726.2 [0,1,0,0,0,0|3,0,0]=4 216 B9R0.29 CCC(=O)C(CC)C(=O)O CNP0333433.0 [0,1,0,0,0,0|2,0,1]=4 217 B9R0.29 CCC(C)C(CC)C(=O)N CNP0490151.0 [0,1,0,0,0,0|2,0,0]=3 218 B9R0.29 CC[C@@H](C)[C@@H](NC)C(=O)O CNP0218334.2 [0,1,0,0,0,0|0,0,0]=1 219 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O CNP0218334.4 [0,1,0,0,0,0|0,0,0]=1 220 B9R0.29 CC[C@@H](O)[C@H](NC)C(=O)O CNP0169081.1 [0,1,0,0,0,0|1,0,0]=2 221 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O CNP0218334.1 [0,1,0,0,0,0|0,0,0]=1 222 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CNP0218334.3 [0,1,0,0,0,0|0,0,0]=1 223 B9R0.32 CC(C)(CO)C(=O)C(=O)O CNP0358941.0 [0,1,0,0,0,0|2,0,1]=4 224 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O CNP0159031.1 [0,1,0,0,0,0|2,0,0]=3 225 B9R0.32 CC(C)(CO)[C@H](N)C(=O)O CNP0161879.1 [0,1,0,0,0,0|1,0,0]=2 226 B9R0.32 CC(C)(CO)[C@H](O)C(=O)O CNP0159031.2 [0,1,0,0,0,0|2,0,0]=3 227 B9R0.32 CCC(C)(C)C(=O)C(=O)O CNP0359042.0 [0,1,0,0,0,0|1,0,1]=3 228 B9R0.32 CCC(C)(O)C(=O)C(=O)O CNP0044065.0 [0,1,0,0,0,0|1,0,1]=3 229 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(=O)O CNP0207481.1 [0,1,0,0,0,0|1,0,0]=2 230 B9R0.32 CC[C@](C)(O)[C@@H](O)C(=O)O CNP0207481.2 [0,1,0,0,0,0|1,0,0]=2 231 B9R0.32 COC(C)(C)[C@H](N)C(=O)O CNP0302352.1 [0,1,0,0,0,0|1,0,0]=2 232 B9R0.41 C/C=C(/CO)\[C@H](N)C(=O)O CNP0139832.2 [0,1,0,0,0,0|0,0,2]=3 233 B9R0.41 C/C=C(\C=O)/[C@H](N)C(=O)O CNP0144091.1 [0,1,0,0,0,0|0,0,3]=4 234 B9R0.41 C/C=C(\CO)/[C@H](N)C(=O)O CNP0139832.1 [0,1,0,0,0,0|0,0,2]=3 235 B9R0.41 CCC(CC)[C@@H](N)C(=O)O CNP0494081.2 [0,1,0,0,0,0|0,0,0]=1 236 B9R0.41 CCC(CC)[C@H](N)C(=O)O CNP0494081.1 [0,1,0,0,0,0|0,0,0]=1 237 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,1,0,0,0,0|0,0,1]=2 238 B9R0.79 CC(C(=O)O)C(O)C(=O)O CNP0389403.0 [0,1,0,0,0,0|2,0,1]=4 239 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,1,0,0,0,0|1,0,0]=2 240 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,1,0,0,0,0|1,0,0]=2 241 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,1,0,0,0,0|1,0,0]=2 242 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CNP0207254.1 [0,1,0,0,0,0|0,0,0]=1 243 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.3 [0,1,0,0,0,0|1,0,1]=3 244 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O CNP0145272.1 [0,1,0,0,0,0|2,0,0]=3 245 B9R0.79 C[C@@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.6 [0,1,0,0,0,0|0,0,0]=1 246 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](N)C(=O)O CNP0207254.7 [0,1,0,0,0,0|0,0,0]=1 247 B9R0.79 C[C@@H]([C@H](C)O)[C@H](N)C(=O)O CNP0207254.3 [0,1,0,0,0,0|0,0,0]=1 248 B9R0.79 C[C@@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.4 [0,1,0,0,0,0|0,0,0]=1 249 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O CNP0165783.1 [0,1,0,0,0,0|1,0,1]=3 250 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.2 [0,1,0,0,0,0|1,0,1]=3 251 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.5 [0,1,0,0,0,0|0,0,0]=1 252 B9R0.79 C[C@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.2 [0,1,0,0,0,0|0,0,0]=1 253 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O CNP0276088.1 [0,1,0,0,0,0|2,0,1]=4 254 B9R0.79 NC(=O)[C@H](O)[C@H](N)C(=O)O CNP0276088.2 [0,1,0,0,0,0|2,0,1]=4 255 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.3 [0,1,0,0,0,0|2,0,1]=4 256 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.4 [0,1,0,0,0,0|2,0,1]=4 257 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.2 [0,1,0,0,0,0|2,0,1]=4 258 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O CNP0266358.1 [0,1,0,0,0,0|2,0,1]=4 259 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.1 [0,1,0,0,0,0|2,0,1]=4 260 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,0,0,1,0,0|2,0,1]=4 261 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,0,0,1,0,0|2,0,1]=4 262 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,0,0,1,0,0|3,0,0]=4 263 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,0,0,1,0,0|3,0,0]=4 264 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,0,0,1,0,0|3,0,0]=4 265 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,0,0,1,0,0|3,0,0]=4 266 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,0,0,1,0,0|3,0,0]=4 267 B9R1.3 OC1=NCC[C@@H]([C@H]1O)O CNP0125833.1 [0,0,0,1,0,0|3,0,0]=4 268 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,0,0,1,0,0|2,0,1]=4 269 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,0,0,1,0,0|0,0,2]=3 270 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,0,0,1,0,0|1,0,2]=4 271 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,0,0,1,0,0|1,0,2]=4 272 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,0,0,1,0,0|1,0,2]=4 273 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,0,0,1,0,0|1,0,2]=4 274 B9R1.37 CC1=CC(=O)C(C1C)C CNP0591733.0 [0,0,0,1,0,0|2,0,1]=4 275 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,0,0,1,0,0|2,0,1]=4 276 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [0,0,0,1,0,0|3,0,0]=4 277 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,0,0,1,0,0|2,0,0]=3 278 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,0,0,1,0,0|2,0,0]=3 279 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,0,0,1,0,0|0,0,0]=1 280 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,0,0,1,0,0|2,0,1]=4 281 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [0,0,0,1,0,0|2,0,0]=3 282 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [0,0,0,1,0,0|2,0,0]=3 283 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CNP0506561.1 [0,0,0,1,0,0|0,0,2]=3 284 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,0,0,1,0,0|1,0,0]=2 285 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,0,0,1,0,0|1,0,0]=2 286 B9R1.41 NN1CCC[C@H]1C(=O)O CNP0198646.1 [0,0,0,1,0,0|3,0,0]=4 287 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [0,0,0,1,0,0|2,0,0]=3 288 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [0,0,0,1,0,0|1,0,0]=2 289 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [0,0,0,1,0,0|1,0,0]=2 290 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [0,0,0,1,0,0|2,0,0]=3 291 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [0,0,0,1,0,0|1,0,0]=2 292 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [0,0,0,1,0,0|3,0,0]=4 293 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [0,0,0,1,0,0|1,0,0]=2 294 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [0,0,0,1,0,0|1,0,0]=2 295 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [0,0,0,1,0,0|3,0,0]=4 296 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [0,0,0,1,0,0|1,0,0]=2 297 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [0,0,0,1,0,0|1,0,0]=2 298 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [0,0,0,1,0,0|0,0,2]=3 299 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [0,0,0,1,0,0|0,0,2]=3 300 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [0,0,0,1,0,0|0,0,2]=3 301 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,0,0,1,0,0|0,0,0]=1 302 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,0,0,1,0,0|0,0,0]=1 303 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,0,0,1,0,0|0,0,0]=1 304 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,0,0,1,0,0|0,0,0]=1 305 B9R1.96 C/C=C/1\CN[C@@H]1C(=O)O CNP0331255.2 [0,0,0,1,0,0|0,0,2]=3 306 B9R1.96 C/C=C\1/CN[C@@H]1C(=O)O CNP0331255.1 [0,0,0,1,0,0|0,0,2]=3 307 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,0,0,1,0,0|2,0,1]=4 308 B9R1.111 CC1(CC1)[C@H](N)C(=O)O CNP0197750.1 [0,0,0,1,0,0|0,0,0]=1 309 B9R1.111 N[C@H](C(=O)O)C1(CC1)O CNP0161832.1 [0,0,0,1,0,0|1,0,0]=2 310 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,0,0,1,0,0|2,0,1]=4 311 B9R0.23 CC[C@@H](O)[C@H](C)NC(=O)C CNP0535111.2 [0,0,0,0,0,1|3,0,0]=4 312 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,0,0,0,0,1|0,0,0]=1 313 B9R0.23 CC[C@H](O)[C@H](C)NC(=O)C CNP0535111.1 [0,0,0,0,0,1|3,0,0]=4 314 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO CNP0393490.1 [0,0,0,0,0,1|3,0,0]=4 315 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O CNP0239105.1 [0,0,0,0,0,1|1,0,2]=4 316 B9R0.42 C#C[C@H](C)C[C@H](N)C(=O)O CNP0212234.1 [0,0,0,0,0,1|0,0,2]=3 317 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,0,0,0,0,1|0,0,2]=3 318 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,0,0,0,0,1|0,0,2]=3 319 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,0,0,0,0,1|0,0,2]=3 320 B9R0.42 C=C[C@@H](C)C[C@H](N)C(=O)O CNP0160242.1 [0,0,0,0,0,1|0,0,2]=3 321 B9R0.42 C=C[C@H](C)C[C@H](N)C(=O)O CNP0160242.2 [0,0,0,0,0,1|0,0,2]=3 322 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,0,0,0,0,1|2,0,1]=4 323 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,0,0,0,0,1|1,0,1]=3 324 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,0,0,0,0,1|0,0,0]=1 325 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,0,0,0,0,1|1,0,0]=2 326 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,0,0,0,0,1|2,0,1]=4 327 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,0,0,0,0,1|2,0,1]=4 328 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,0,0,0,0,1|0,0,0]=1 329 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [0,0,0,0,0,1|2,0,0]=3 330 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [0,0,0,0,0,1|2,0,0]=3 331 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [0,0,0,0,0,1|2,0,0]=3 332 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,0,0,0,0,1|2,0,1]=4 333 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,0,0,0,0,1|1,0,0]=2 334 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,0,0,0,0,1|2,0,0]=3 335 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,0,0,0,0,1|2,0,0]=3 336 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,0,0,0,0,1|2,0,1]=4 337 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O CNP0264056.1 [0,0,0,0,0,1|2,0,1]=4 338 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,0,0,0,0,1|2,0,0]=3 339 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,0,0,0,0,1|3,0,0]=4 340 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [2,0,0,0,0,0|2,0,0]=4 341 B6R0.1 CCC(C)C=NO CNP0605626.0 [2,0,0,0,0,0|1,0,1]=4 342 B6R0.1 CCC(C)CC=O CNP0531748.0 [2,0,0,0,0,0|0,0,0]=2 343 B6R0.1 CCC(C)NC=O CNP0583042.0 [2,0,0,0,0,0|1,0,0]=3 344 B6R0.1 CCC(C)OC=O CNP0570369.0 [2,0,0,0,0,0|1,0,0]=3 345 B6R0.1 CCC(C)ON=O CNP0521211.0 [2,0,0,0,0,0|2,0,0]=4 346 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,1]=4 347 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [2,0,0,0,0,0|1,0,0]=3 348 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|1,0,1]=4 349 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [2,0,0,0,0,0|1,0,1]=4 350 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|1,0,1]=4 351 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [2,0,0,0,0,0|1,0,1]=4 352 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [2,0,0,0,0,0|0,0,1]=3 353 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [2,0,0,0,0,0|0,0,1]=3 354 B6R0.1 CSC(C)CC=O CNP0002406.0 [2,0,0,0,0,0|1,0,0]=3 355 B6R0.1 NC(C=O)CC=O CNP0515395.0 [2,0,0,0,0,0|1,0,1]=4 356 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [2,0,0,0,0,0|0,0,2]=4 357 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [2,0,0,0,0,0|1,0,1]=4 358 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [2,0,0,0,0,0|1,0,0]=3 359 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [2,0,0,0,0,0|2,0,0]=4 360 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [2,0,0,0,0,0|2,0,0]=4 361 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [2,0,0,0,0,0|2,0,0]=4 362 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [2,0,0,0,0,0|1,0,0]=3 363 B6R0.2 CC(C)CC(C)O CNP0493734.0 [2,0,0,0,0,0|1,0,1]=4 364 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [2,0,0,0,0,0|2,0,0]=4 365 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [2,0,0,0,0,0|2,0,0]=4 366 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [2,0,0,0,0,0|2,0,0]=4 367 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [2,0,0,0,0,0|2,0,0]=4 368 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [2,0,0,0,0,0|1,0,0]=3 369 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [2,0,0,0,0,0|1,0,0]=3 370 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [2,0,0,0,0,0|1,0,0]=3 371 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [2,0,0,0,0,0|1,0,0]=3 372 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [2,0,0,0,0,0|1,0,0]=3 373 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [2,0,0,0,0,0|0,0,0]=2 374 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [2,0,0,0,0,0|0,0,1]=3 375 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [2,0,0,0,0,0|1,0,0]=3 376 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [2,0,0,0,0,0|1,0,1]=4 377 B6R0.4 C=CCCC(=O)O CNP0003359.0 [2,0,0,0,0,0|0,0,2]=4 378 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,2]=4 379 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|0,0,2]=4 380 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|1,0,1]=4 381 B6R0.4 CCCCB(O)O CNP0482760.0 [2,0,0,0,0,0|1,0,1]=4 382 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|1,0,0]=3 383 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,0]=3 384 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,0]=2 385 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,0]=2 386 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|1,0,1]=4 387 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|1,0,1]=4 388 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|2,0,0]=4 389 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|2,0,0]=4 390 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|2,0,0]=4 391 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,0]=3 392 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 393 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,0]=3 394 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,0]=3 395 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|2,0,0]=4 396 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|2,0,0]=4 397 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,0]=3 398 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|1,0,1]=4 399 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 400 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,0]=3 401 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,0]=3 402 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|1,0,1]=4 403 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|1,0,1]=4 404 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [2,0,0,0,0,0|0,0,2]=4 405 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [2,0,0,0,0,0|1,0,1]=4 406 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [2,0,0,0,0,0|1,0,1]=4 407 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [2,0,0,0,0,0|0,0,2]=4 408 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [2,0,0,0,0,0|0,0,2]=4 409 B6R0.3 CC(C)C(C)CO CNP0127606.0 [2,0,0,0,0,0|1,0,1]=4 410 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [2,0,0,0,0,0|0,0,0]=2 411 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [2,0,0,0,0,0|0,0,0]=2 412 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [2,0,0,0,0,0|0,0,0]=2 413 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [2,0,0,0,0,0|0,0,1]=3 414 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [2,0,0,0,0,0|1,0,1]=4 415 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [2,0,0,0,0,0|0,0,1]=3 416 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [2,0,0,0,0,0|0,0,2]=4 417 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [2,0,0,0,0,0|1,0,1]=4 418 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [2,0,0,0,0,0|2,0,0]=4 419 B6R0.3 CCC(O)C(C)O CNP0519497.0 [2,0,0,0,0,0|2,0,0]=4 420 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [2,0,0,0,0,0|2,0,0]=4 421 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [2,0,0,0,0,0|1,0,1]=4 422 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [2,0,0,0,0,0|1,0,1]=4 423 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [2,0,0,0,0,0|0,0,1]=3 424 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [2,0,0,0,0,0|1,0,0]=3 425 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [2,0,0,0,0,0|1,0,0]=3 426 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [2,0,0,0,0,0|1,0,0]=3 427 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [2,0,0,0,0,0|0,0,0]=2 428 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [2,0,0,0,0,0|2,0,0]=4 429 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [2,0,0,0,0,0|1,0,0]=3 430 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [2,0,0,0,0,0|1,0,1]=4 431 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [2,0,0,0,0,0|1,0,1]=4 432 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [2,0,0,0,0,0|0,0,1]=3 433 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [2,0,0,0,0,0|1,0,0]=3 434 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [2,0,0,0,0,0|1,0,1]=4 435 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [2,0,0,0,0,0|1,0,0]=3 436 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [2,0,0,0,0,0|0,0,0]=2 437 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [2,0,0,0,0,0|1,0,0]=3 438 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [2,0,0,0,0,0|2,0,0]=4 439 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [2,0,0,0,0,0|2,0,0]=4 440 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [2,0,0,0,0,0|2,0,0]=4 441 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [2,0,0,0,0,0|2,0,0]=4 442 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [2,0,0,0,0,0|2,0,0]=4 443 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [2,0,0,0,0,0|1,0,0]=3 444 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [2,0,0,0,0,0|1,0,1]=4 445 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [2,0,0,0,0,0|2,0,0]=4 446 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [2,0,0,0,0,0|2,0,0]=4 447 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [2,0,0,0,0,0|2,0,0]=4 448 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [2,0,0,0,0,0|1,0,0]=3 449 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [2,0,0,0,0,0|2,0,0]=4 450 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [2,0,0,0,0,0|1,0,0]=3 451 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [2,0,0,0,0,0|1,0,1]=4 452 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [2,0,0,0,0,0|1,0,0]=3 453 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [2,0,0,0,0,0|1,0,0]=3 454 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [2,0,0,0,0,0|1,0,0]=3 455 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [2,0,0,0,0,0|1,0,0]=3 456 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [2,0,0,0,0,0|1,0,0]=3 457 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [2,0,0,0,0,0|1,0,0]=3 458 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [2,0,0,0,0,0|1,0,0]=3 459 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [2,0,0,0,0,0|1,0,0]=3 460 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [2,0,0,0,0,0|1,0,0]=3 461 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [2,0,0,0,0,0|2,0,0]=4 462 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [2,0,0,0,0,0|2,0,0]=4 463 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [2,0,0,0,0,0|2,0,0]=4 464 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [2,0,0,0,0,0|2,0,0]=4 465 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [2,0,0,0,0,0|2,0,0]=4 466 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [1,1,0,0,0,0|1,0,1]=4 467 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [1,1,0,0,0,0|1,0,1]=4 468 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|2,0,0]=4 469 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [1,1,0,0,0,0|0,0,2]=4 470 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [1,1,0,0,0,0|0,0,2]=4 471 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,1,0,0,0,0|1,0,1]=4 472 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|1,0,0]=3 473 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,1,0,0,0,0|1,0,1]=4 474 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|1,0,0]=3 475 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|0,0,0]=2 476 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|2,0,0]=4 477 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|1,0,0]=3 478 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,1,0,0,0,0|1,0,1]=4 479 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,1,0,0,0,0|2,0,0]=4 480 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [1,1,0,0,0,0|2,0,0]=4 481 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [1,1,0,0,0,0|1,0,0]=3 482 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [1,1,0,0,0,0|0,0,0]=2 483 B8R0.16 CCN(CC)CC(=O)O CNP0048744.0 [1,1,0,0,0,0|1,0,0]=3 484 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [1,1,0,0,0,0|2,0,0]=4 485 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|0,0,2]=4 486 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [1,1,0,0,0,0|0,0,2]=4 487 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,0]=3 488 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,0]=3 489 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|2,0,0]=4 490 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [1,1,0,0,0,0|1,0,1]=4 491 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|0,0,0]=2 492 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [1,1,0,0,0,0|1,0,1]=4 493 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|1,0,0]=3 494 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|1,0,0]=3 495 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [1,1,0,0,0,0|2,0,0]=4 496 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [1,1,0,0,0,0|0,0,2]=4 497 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [1,1,0,0,0,0|0,0,2]=4 498 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [1,1,0,0,0,0|2,0,0]=4 499 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [1,1,0,0,0,0|0,0,1]=3 500 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [1,1,0,0,0,0|1,0,0]=3 501 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [1,1,0,0,0,0|1,0,0]=3 502 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [1,1,0,0,0,0|1,0,0]=3 503 B8R0.23 CN(CC(=O)O)C(N)N CNP0559607.0 [1,1,0,0,0,0|2,0,0]=4 504 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [1,1,0,0,0,0|1,0,1]=4 505 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [1,1,0,0,0,0|1,0,1]=4 506 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [1,1,0,0,0,0|2,0,0]=4 507 B8R0.24 CC[C@H](C)CC(C)(C)O CNP0378790.1 [1,1,0,0,0,0|1,0,1]=4 508 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [1,1,0,0,0,0|2,0,0]=4 509 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [1,1,0,0,0,0|0,0,0]=2 510 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [1,1,0,0,0,0|2,0,0]=4 511 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|2,0,0]=4 512 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|2,0,0]=4 513 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|1,0,0]=3 514 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|2,0,0]=4 515 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|1,0,0]=3 516 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|1,0,0]=3 517 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [1,1,0,0,0,0|0,0,1]=3 518 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [1,1,0,0,0,0|0,0,1]=3 519 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [1,1,0,0,0,0|0,0,1]=3 520 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [1,1,0,0,0,0|0,0,1]=3 521 B8R0.8 C=C=CC[C@H](N)C(=O)O CNP0263596.1 [1,1,0,0,0,0|0,0,2]=4 522 B8R0.8 C=CSC[C@H](N)C(=O)O CNP0135574.1 [1,1,0,0,0,0|0,0,2]=4 523 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [1,1,0,0,0,0|0,0,1]=3 524 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [1,1,0,0,0,0|1,0,1]=4 525 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|1,0,1]=4 526 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,1,0,0,0,0|1,0,0]=3 527 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [1,1,0,0,0,0|0,0,0]=2 528 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [1,1,0,0,0,0|2,0,0]=4 529 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [1,1,0,0,0,0|1,0,0]=3 530 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [1,1,0,0,0,0|0,0,0]=2 531 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [1,1,0,0,0,0|1,0,0]=3 532 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [1,1,0,0,0,0|0,0,0]=2 533 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [1,1,0,0,0,0|0,0,2]=4 534 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [1,1,0,0,0,0|0,0,2]=4 535 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [1,1,0,0,0,0|1,0,1]=4 536 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [1,1,0,0,0,0|1,0,0]=3 537 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [1,1,0,0,0,0|0,0,0]=2 538 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [1,1,0,0,0,0|0,0,0]=2 539 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [1,1,0,0,0,0|1,0,0]=3 540 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [1,1,0,0,0,0|1,0,0]=3 541 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [1,1,0,0,0,0|1,0,0]=3 542 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [1,1,0,0,0,0|1,0,0]=3 543 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [1,1,0,0,0,0|2,0,0]=4 544 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [1,1,0,0,0,0|1,0,0]=3 545 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [1,1,0,0,0,0|0,0,0]=2 546 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [1,1,0,0,0,0|0,0,1]=3 547 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [1,1,0,0,0,0|1,0,1]=4 548 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [1,1,0,0,0,0|0,0,0]=2 549 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [1,1,0,0,0,0|1,0,0]=3 550 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [1,1,0,0,0,0|0,0,0]=2 551 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [1,1,0,0,0,0|1,0,0]=3 552 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [1,1,0,0,0,0|1,0,0]=3 553 B8R0.8 N[C@@H](C/C=C/Cl)C(=O)O CNP0123957.2 [1,1,0,0,0,0|0,0,2]=4 554 B8R0.8 N[C@@H](C/C=C\Cl)C(=O)O CNP0123957.1 [1,1,0,0,0,0|0,0,2]=4 555 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [1,1,0,0,0,0|0,0,1]=3 556 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [1,1,0,0,0,0|0,0,0]=2 557 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O CNP0489303.1 [1,1,0,0,0,0|2,0,0]=4 558 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [1,1,0,0,0,0|0,0,0]=2 559 B8R0.12 C=CCC(C)(N)C(=O)O CNP0555901.0 [1,1,0,0,0,0|0,0,2]=4 560 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [1,1,0,0,0,0|1,0,0]=3 561 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [1,1,0,0,0,0|0,0,0]=2 562 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [1,1,0,0,0,0|0,0,0]=2 563 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [1,1,0,0,0,0|2,0,0]=4 564 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [1,1,0,0,0,0|2,0,0]=4 565 B8R0.12 COC[C@@](C)(N)C(=O)O CNP0546199.2 [1,1,0,0,0,0|1,0,0]=3 566 B8R0.12 COC[C@](C)(N)C(=O)O CNP0546199.1 [1,1,0,0,0,0|1,0,0]=3 567 B8R0.12 O=C(O)C(O)(O)CCO CNP0527367.0 [1,1,0,0,0,0|2,0,0]=4 568 B8R0.14 N[C@@H](CCS)S(=O)(=O)O CNP0045993.1 [1,1,0,0,0,0|2,0,0]=4 569 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [1,1,0,0,0,0|0,0,2]=4 570 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [1,1,0,0,0,0|0,0,0]=2 571 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [1,1,0,0,0,0|1,0,0]=3 572 B8R0.18 CC(C)[C@H](NO)C(=O)O CNP0082684.1 [1,1,0,0,0,0|0,0,0]=2 573 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [1,1,0,0,0,0|1,0,0]=3 574 B8R0.18 CCC(C(=O)O)C(C)O CNP0376604.0 [1,1,0,0,0,0|2,0,0]=4 575 B8R0.18 CN(C)[C@@H](CO)C(=O)O CNP0113680.1 [1,1,0,0,0,0|2,0,0]=4 576 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [1,1,0,0,0,0|0,0,0]=2 577 B8R0.18 CN[C@@H](C(=O)O)[C@@H](C)O CNP0147674.2 [1,1,0,0,0,0|1,0,0]=3 578 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [1,1,0,0,0,0|0,0,0]=2 579 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CNP0147674.1 [1,1,0,0,0,0|1,0,0]=3 580 B8R0.18 CN[C@H](C(=O)O)[C@H](C)O CNP0147674.3 [1,1,0,0,0,0|1,0,0]=3 581 B8R0.18 C[C@@H](O)[C@H](NO)C(=O)O CNP0541034.1 [1,1,0,0,0,0|1,0,0]=3 582 B8R0.18 [C-]#[N+][C@H](C(=O)O)C(C)C CNP0500576.1 [1,1,0,0,0,0|0,0,1]=3 583 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N CNP0245908.1 [1,1,0,0,0,0|1,0,0]=3 584 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [1,1,0,0,0,0|0,0,0]=2 585 B8R0.27 CC(C)(C)[C@H](N)C(=O)N CNP0245908.2 [1,1,0,0,0,0|1,0,0]=3 586 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [1,1,0,0,0,0|0,0,0]=2 587 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [1,1,0,0,0,0|1,0,0]=3 588 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [1,1,0,0,0,0|1,0,0]=3 589 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [1,1,0,0,0,0|0,0,0]=2 590 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [1,1,0,0,0,0|1,0,0]=3 591 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [1,1,0,0,0,0|0,0,0]=2 592 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [1,1,0,0,0,0|0,0,0]=2 593 B8R0.27 CC(C)[C@H](N)P(=O)(O)O CNP0050135.1 [1,1,0,0,0,0|1,0,0]=3 594 B8R0.27 C[C@H](O)[C@@H](N)P(=O)(O)O CNP0360371.1 [1,1,0,0,0,0|2,0,0]=4 595 B8R0.37 CC(C)[C@@](N)(O)C(=O)O CNP0185848.1 [1,1,0,0,0,0|0,0,0]=2 596 B8R0.37 CC(C)[C@](N)(O)C(=O)O CNP0185848.2 [1,1,0,0,0,0|0,0,0]=2 597 B8R0.37 CC(O)C(C)(C)C(=O)O CNP0082064.0 [1,1,0,0,0,0|2,0,0]=4 598 B8R0.37 CN(C)C(C)(C)C(=O)O CNP0482978.0 [1,1,0,0,0,0|2,0,0]=4 599 B8R0.37 C[C@@H](O)[C@](C)(O)C(=O)O CNP0265434.2 [1,1,0,0,0,0|2,0,0]=4 600 B8R0.37 C[C@H](O)[C@@](C)(O)C(=O)O CNP0265434.3 [1,1,0,0,0,0|2,0,0]=4 601 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O CNP0265434.1 [1,1,0,0,0,0|2,0,0]=4 602 B10R0.32 NCC[C@@H](O)[C@H](N)CC(=O)O CNP0140197.2 [0,1,0,0,0,1|1,0,0]=3 603 B10R0.32 NCC[C@H](O)[C@H](N)CC(=O)O CNP0140197.1 [0,1,0,0,0,1|1,0,0]=3 604 B10R0.26 C#CC[C@@H](O)C[C@H](N)C(=O)O CNP0170065.1 [0,1,0,0,0,1|1,0,1]=4 605 B10R0.26 C#CC[C@H](O)C[C@H](N)C(=O)O CNP0170065.2 [0,1,0,0,0,1|1,0,1]=4 606 B10R0.26 C/C(=C\CO)/C[C@H](N)C(=O)O CNP0197260.1 [0,1,0,0,0,1|0,0,2]=4 607 B10R0.26 CCC[S+]([O-])C[C@H](N)C(=O)O CNP0487043.1 [0,1,0,0,0,1|2,0,0]=4 608 B10R0.26 CCC[S@+]([O-])C[C@H](N)C(=O)O CNP0487043.2 [0,1,0,0,0,1|2,0,0]=4 609 B10R0.26 CCC[S@H+]([O-])C[C@H](N)C(=O)O CNP0538911.1 [0,1,0,0,0,1|2,0,0]=4 610 B10R0.26 CCOC(C)OC(C)C(=O)O CNP0445078.0 [0,1,0,0,0,1|1,0,0]=3 611 B10R0.26 CSC[S@+]([O-])C[C@H](N)C(=O)O CNP0546443.1 [0,1,0,0,0,1|2,0,0]=4 612 B10R0.26 CSC[S@H+]([O-])C[C@H](N)C(=O)O CNP0547280.1 [0,1,0,0,0,1|2,0,0]=4 613 B10R0.26 NCCC(=O)C[C@H](N)C(=O)O CNP0253438.1 [0,1,0,0,0,1|1,0,1]=4 614 B10R0.26 N[C@@H](C[S@+]([O-])CCO)C(=O)O CNP0513802.1 [0,1,0,0,0,1|2,0,0]=4 615 B10R0.26 N[C@@H](C[S@H+]([O-])CCO)C(=O)O CNP0527052.1 [0,1,0,0,0,1|2,0,0]=4 616 B10R0.67 C#C[C@](C)(O)C[C@H](N)C(=O)O CNP0196006.1 [0,1,0,0,0,1|0,0,2]=4 617 B10R0.67 C[C@](O)(CO)C[C@H](N)C(=O)O CNP0316201.1 [0,1,0,0,0,1|1,0,0]=3 618 B10R0.72 C#C[C@@H](CO)C[C@H](N)C(=O)O CNP0396556.1 [0,1,0,0,0,1|0,0,2]=4 619 B10R0.93 CC(C[C@H](N)C(=O)O)C(=O)O CNP0104947.4 [0,1,0,0,0,1|1,0,1]=4 620 B10R0.93 C[C@@H](C[C@@H](N)C(=O)O)C(=O)O CNP0104947.2 [0,1,0,0,0,1|1,0,1]=4 621 B10R0.93 C[C@@H](C[C@H](N)C(=O)O)C(=O)O CNP0104947.3 [0,1,0,0,0,1|1,0,1]=4 622 B10R0.93 C[C@H](C[C@@H](N)C(=O)O)C(Cl)Cl CNP0429464.1 [0,1,0,0,0,1|1,0,0]=3 623 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O CNP0104947.1 [0,1,0,0,0,1|1,0,1]=4 624 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,2,0,0,0,0|1,0,0]=3 625 B10R0.35 O=C(CO)[C@@H](O)[C@H](O)CCO CNP0215588.1 [0,2,0,0,0,0|2,0,0]=4 626 B10R0.81 CCOCC(O)C(N)C(=O)O CNP0242428.0 [0,2,0,0,0,0|1,0,0]=3 627 B10R0.81 CCOC[C@@H](O)[C@@H](N)C(=O)O CNP0242428.1 [0,2,0,0,0,0|1,0,0]=3 628 B10R0.101 CCCC(O)C(CC)C(=O)O CNP0481331.0 [0,2,0,0,0,0|2,0,0]=4 629 B10R0.104 CCOC(C)(C)[C@H](N)C(=O)O CNP0107313.1 [0,2,0,0,0,0|0,0,0]=2 630 B10R0.154 [2H]C([2H])([2H])C(C)[C@H]([15NH2])C(=O)O CNP0152507.3 [0,2,0,0,0,0|1,0,0]=3 631 B10R0.38 C=CC(=O)C(C)C(CC)CC CNP0520376.0 [0,2,0,0,0,0|2,0,0]=4 632 B10R0.38 CCC(=O)C(C)C(CC)CC CNP0598134.0 [0,2,0,0,0,0|2,0,0]=4 633 B10R0.38 CCC(CC)[C@@H](N)C(=O)OC CNP0583209.2 [0,2,0,0,0,0|0,0,0]=2 634 B10R0.38 CCC(CC)[C@H](N)C(=O)OC CNP0583209.1 [0,2,0,0,0,0|0,0,0]=2 635 B10R0.30 CCCC(C(=O)O)C(O)CC CNP0562011.0 [0,2,0,0,0,0|2,0,0]=4 636 B10R0.76 CCC(C(=O)O)C(C)C(=O)O CNP0104338.0 [0,2,0,0,0,0|1,0,1]=4 637 B10R0.76 CC[C@@H](C(=O)O)[C@H](O)C(=O)O CNP0155483.1 [0,2,0,0,0,0|1,0,1]=4 638 B10R0.76 CNC(C(=O)O)C(C)C(C)C CNP0232958.0 [0,2,0,0,0,0|0,0,0]=2 639 B10R0.118 CCC(C)C(C(=O)O)[N+](=O)[O-] CNP0524252.0 [0,2,0,0,0,0|0,0,1]=3 640 B10R0.118 CC[C@H](C)[C@@H](C(=O)O)N(O)O CNP0584229.1 [0,2,0,0,0,0|0,0,0]=2 641 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|2,0,0]=4 642 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [1,0,0,1,0,0|1,1,0]=4 643 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|2,0,0]=4 644 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,0]=2 645 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [1,0,0,1,0,0|1,1,0]=4 646 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,0]=3 647 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|2,0,0]=4 648 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|0,0,2]=4 649 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,1,0,0|1,0,1]=4 650 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|0,0,0]=2 651 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,0]=3 652 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|2,0,0]=4 653 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [1,0,0,1,0,0|1,0,1]=4 654 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [1,0,0,1,0,0|1,0,1]=4 655 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,0]=3 656 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|2,0,0]=4 657 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [1,0,0,1,0,0|1,0,1]=4 658 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [1,0,0,1,0,0|1,0,1]=4 659 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,0,0,1,0,0|1,0,1]=4 660 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,0,0,1,0,0|1,0,1]=4 661 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [1,0,0,1,0,0|1,0,0]=3 662 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [1,0,0,1,0,0|1,0,0]=3 663 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [1,0,0,1,0,0|0,0,0]=2 664 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [1,0,0,1,0,0|0,0,0]=2 665 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,0,0,1,0,0|1,0,1]=4 666 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [1,0,0,1,0,0|0,0,2]=4 667 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [1,0,0,1,0,0|2,0,0]=4 668 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|2,0,0]=4 669 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [1,0,0,1,0,0|1,0,1]=4 670 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|2,0,0]=4 671 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|1,0,0]=3 672 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [1,0,0,1,0,0|1,0,1]=4 673 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [1,0,0,1,0,0|1,0,1]=4 674 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,0,0,1,0,0|1,0,0]=3 675 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [1,0,0,1,0,0|1,0,1]=4 676 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [1,0,0,1,0,0|1,0,1]=4 677 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|2,0,0]=4 678 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|1,0,0]=3 679 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [1,0,0,1,0,0|1,0,0]=3 680 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,1,0,0|0,0,2]=4 681 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [1,0,0,1,0,0|0,0,2]=4 682 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [1,0,0,1,0,0|0,0,2]=4 683 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|1,0,0]=3 684 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,1,0,0|1,0,0]=3 685 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [1,0,0,1,0,0|2,0,0]=4 686 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|1,0,1]=4 687 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [1,0,0,1,0,0|0,0,2]=4 688 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,1,0,0|0,0,0]=2 689 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [1,0,0,1,0,0|2,0,0]=4 690 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [1,0,0,1,0,0|1,0,0]=3 691 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [1,0,0,1,0,0|1,0,0]=3 692 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,1,0,0|0,0,0]=2 693 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|1,0,0]=3 694 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [1,0,0,1,0,0|2,0,0]=4 695 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [1,0,0,1,0,0|1,0,0]=3 696 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [1,0,0,1,0,0|1,0,0]=3 697 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [1,0,0,1,0,0|1,0,1]=4 698 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [1,0,0,1,0,0|0,0,0]=2 699 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [1,0,0,1,0,0|0,0,0]=2 700 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [1,0,0,1,0,0|1,0,1]=4 701 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|2,0,0]=4 702 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [1,0,0,1,0,0|2,0,0]=4 703 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|2,0,0]=4 704 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,1,0,0|1,0,1]=4 705 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [1,0,0,1,0,0|1,0,1]=4 706 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [1,0,0,1,0,0|0,0,0]=2 707 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,0,0,1,0,1|1,0,0]=3 708 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,0,0,1,0,1|1,0,0]=3 709 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,0,0,1,0,1|2,0,0]=4 710 B10R1.115 N[C@@H]1CC[C@@]1(O)CC(=O)O CNP0198184.1 [0,0,0,1,0,1|2,0,0]=4 711 B10R1.115 N[C@H]1CC[C@]1(O)CC(=O)O CNP0198184.2 [0,0,0,1,0,1|2,0,0]=4 712 B10R1.194 C[C@H]1CN[C@@H]([C@H]1O)C(=O)O CNP0315433.1 [0,0,0,1,0,1|2,0,0]=4 713 B10R1.31 O=C(O)[C@@H]1C[C@@H](CN1)CO CNP0249582.1 [0,0,0,1,0,1|1,0,0]=3 714 B10R1.31 O=C(O)[C@@H]1C[C@H](CN1)CO CNP0249582.4 [0,0,0,1,0,1|1,0,0]=3 715 B10R1.31 O=C(O)[C@H]1C[C@@H](CN1)CO CNP0249582.3 [0,0,0,1,0,1|1,0,0]=3 716 B10R1.31 O=C(O)[C@H]1C[C@H](CN1)CO CNP0249582.2 [0,0,0,1,0,1|1,0,0]=3 717 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,0,0,1,0,1|1,0,0]=3 718 B10R1.113 CC1NC(CCS1)C(=O)O CNP0612152.0 [0,0,0,1,0,1|2,0,0]=4 719 B10R1.113 CN1CCCC(C1)C(=O)O CNP0563532.0 [0,0,0,1,0,1|2,0,0]=4 720 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,0,0,1,0,1|1,0,0]=3 721 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,0,0,1,0,1|2,0,0]=4 722 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,0,0,1,0,1|2,0,0]=4 723 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,0,0,1,0,1|1,0,0]=3 724 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,0,0,1,0,1|2,0,0]=4 725 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,0,0,1,0,1|2,0,0]=4 726 B10R1.113 NC(=O)[C@@H]1C[C@@H](CCN1)O CNP0424456.1 [0,0,0,1,0,1|2,0,0]=4 727 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O CNP0144077.1 [0,0,0,1,0,1|1,0,0]=3 728 B10R1.113 O=C(O)[C@@H]1C[C@@H](CNN1)O CNP0311237.1 [0,0,0,1,0,1|2,0,0]=4 729 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O CNP0144077.3 [0,0,0,1,0,1|1,0,0]=3 730 B10R1.113 O=C(O)[C@@H]1C[S@+](CCN1)[O-] CNP0539312.1 [0,0,0,1,0,1|2,0,0]=4 731 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O CNP0144077.4 [0,0,0,1,0,1|1,0,0]=3 732 B10R1.113 O=C(O)[C@H]1C[C@@H](CNN1)Cl CNP0324795.1 [0,0,0,1,0,1|2,0,0]=4 733 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O CNP0144077.2 [0,0,0,1,0,1|1,0,0]=3 734 B10R1.113 O=C(O)[C@H]1C[C@H](CNN1)O CNP0311237.2 [0,0,0,1,0,1|2,0,0]=4 735 B10R1.113 O=C(O)[C@H]1C[S@+](CCN1)[O-] CNP0539312.2 [0,0,0,1,0,1|2,0,0]=4 736 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,0,0,1,0,1|1,0,1]=4 737 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,0,0,1,0,1|1,0,1]=4 738 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,0,0,1,0,1|1,0,0]=3 739 B10R1.190 C=C1CC1C[C@H](N)C(=O)O CNP0301702.2 [0,0,0,1,0,1|0,0,2]=4 740 B10R1.190 C=C1C[C@@H]1C[C@H](N)C(=O)O CNP0301702.3 [0,0,0,1,0,1|0,0,2]=4 741 B10R1.190 C=C1C[C@H]1C[C@H](N)C(=O)O CNP0301702.1 [0,0,0,1,0,1|0,0,2]=4 742 B10R1.331 C[C@H]1[C@H](CC1(N)C(=O)O)O CNP0484101.1 [0,0,0,1,0,1|1,0,0]=3 743 B10R1.490 NC1(CC(C1)CO)C(=O)O CNP0182129.0 [0,0,0,1,0,1|1,0,0]=3 744 B10R1.23 C[C@@H](C(=O)O)C1=CCCC1 CNP0313438.1 [0,1,0,1,0,0|1,0,1]=4 745 B10R1.23 NC(C(=O)O)C1CC=CC1 CNP0222178.0 [0,1,0,1,0,0|0,0,1]=3 746 B10R1.23 N[C@@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.1 [0,1,0,1,0,0|0,0,1]=3 747 B10R1.23 N[C@H](C(=O)O)C1CC=CC1 CNP0222178.1 [0,1,0,1,0,0|0,0,1]=3 748 B10R1.23 N[C@H](C(=O)O)C1CCCC1 CNP0276361.1 [0,1,0,1,0,0|0,0,0]=2 749 B10R1.23 N[C@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.2 [0,1,0,1,0,0|0,0,1]=3 750 B10R1.34 CC[C@@H]1CC(=O)C(=C1C)O CNP0372233.1 [0,1,0,1,0,0|1,0,1]=4 751 B10R1.34 NC[C@@H]1OC(=O)[C@@H]([C@H]1N)N CNP0242874.1 [0,1,0,1,0,0|1,0,0]=3 752 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO CNP0149601.4 [0,1,0,1,0,0|2,0,0]=4 753 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO CNP0149601.5 [0,1,0,1,0,0|2,0,0]=4 754 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO CNP0149601.1 [0,1,0,1,0,0|2,0,0]=4 755 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO CNP0149601.3 [0,1,0,1,0,0|2,0,0]=4 756 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO CNP0149601.2 [0,1,0,1,0,0|2,0,0]=4 757 B10R1.59 CN1CC(C[C@@H]1C(=O)O)O CNP0410877.5 [0,1,0,1,0,0|2,0,0]=4 758 B10R1.59 CN1CC(C[C@H]1C(=O)O)O CNP0410877.4 [0,1,0,1,0,0|2,0,0]=4 759 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O CNP0410877.2 [0,1,0,1,0,0|2,0,0]=4 760 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)O CNP0410877.1 [0,1,0,1,0,0|2,0,0]=4 761 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O CNP0410877.3 [0,1,0,1,0,0|2,0,0]=4 762 B10R1.59 C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N CNP0588316.1 [0,1,0,1,0,0|0,0,0]=2 763 B10R1.59 C[C@@H]1C[C@@H]([C@@H](N1)C(=O)O)O CNP0392370.1 [0,1,0,1,0,0|1,0,0]=3 764 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O CNP0153651.1 [0,1,0,1,0,0|2,0,0]=4 765 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,1,0,1,0,0|2,0,0]=4 766 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [0,1,0,1,0,0|1,0,0]=3 767 B10R1.61 O=C(O)[C@H]1NCC=C[C@H]1O CNP0245446.1 [0,1,0,1,0,0|1,0,1]=4 768 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [0,1,0,1,0,0|1,0,0]=3 769 B10R1.61 O=C(O)[C@H]1NN=CC[C@@H]1O CNP0292849.1 [0,1,0,1,0,0|1,0,1]=4 770 B10R1.278 CC(C1CC1)[C@H](N)C(=O)O CNP0374571.2 [0,1,0,1,0,0|0,0,0]=2 771 B10R1.278 C[C@@H](C1CC1)[C@H](N)C(=O)O CNP0374571.1 [0,1,0,1,0,0|0,0,0]=2 772 B10R1.278 C[C@H](C1CC1)[C@H](N)C(=O)O CNP0374571.3 [0,1,0,1,0,0|0,0,0]=2 773 B10R1.291 O=C(O)C1(COCC1O)O CNP0326065.0 [0,1,0,1,0,0|2,0,0]=4 774 B10R1.119 O=C1OC[C@H]([C@@H]([C@H]1O)O)O CNP0214480.1 [0,1,0,1,0,0|2,0,0]=4 775 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,1,0,1,0,0|2,0,0]=4 776 B10R1.191 CC1=C(C(=O)[C@@H]([C@H]1C)C)O CNP0291420.1 [0,1,0,1,0,0|1,0,1]=4 777 B10R1.236 CC[C@]1(COC(=O)[C@H]1O)C CNP0168013.1 [0,1,0,1,0,0|1,0,0]=3 778 B10R1.192 CN1CC[C@@H]([C@H]1C(=O)O)O CNP0111968.2 [0,1,0,1,0,0|1,0,0]=3 779 B10R1.192 CN1CC[C@H]([C@H]1C(=O)O)O CNP0111968.1 [0,1,0,1,0,0|1,0,0]=3 780 B10R1.256 C[C@@H]1C(=O)O[C@@H]([C@H]1CO)C CNP0104665.1 [0,1,0,1,0,0|1,0,0]=3 781 B10R1.256 C[C@@H]1OC(=O)[C@@H]([C@H]1CO)C CNP0104665.2 [0,1,0,1,0,0|1,0,0]=3 782 B10R1.128 C[N+]1(CCC[C@@H]1C(=O)O)C CNP0531164.3 [0,1,0,1,0,0|2,0,0]=4 783 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C CNP0531164.1 [0,1,0,1,0,0|2,0,0]=4 784 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C CNP0531164.2 [0,1,0,1,0,0|2,0,0]=4 785 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,2,0,0|2,0,0]=4 786 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 CNP0380045.1 [0,0,0,2,0,0|0,0,0]=2 787 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 CNP0380045.2 [0,0,0,2,0,0|0,0,0]=2 788 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [1,0,0,0,0,1|1,0,1]=4 789 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [1,0,0,0,0,1|1,0,1]=4 790 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [1,0,0,0,0,1|1,0,1]=4 791 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,0,0,0,0,1|1,0,0]=3 792 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [1,0,0,0,0,1|1,0,1]=4 793 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [1,0,0,0,0,1|1,0,1]=4 794 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [1,0,0,0,0,1|0,0,1]=3 795 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [1,0,0,0,0,1|1,0,0]=3 796 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [1,0,0,0,0,1|1,0,0]=3 797 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [1,0,0,0,0,1|1,0,1]=4 798 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [1,0,0,0,0,1|0,0,1]=3 799 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [1,0,0,0,0,1|0,0,0]=2 800 B8R0.9 CC[C@H](C)CNC(=N)S CNP0608891.1 [1,0,0,0,0,1|1,1,0]=4 801 B8R0.9 CC[C@H](C)CNC(=S)N CNP0172318.1 [1,0,0,0,0,1|1,1,0]=4 802 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [1,0,0,0,0,1|1,0,0]=3 803 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [1,0,0,0,0,1|2,0,0]=4 804 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [1,0,0,0,0,1|2,0,0]=4 805 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [1,0,0,0,0,1|2,0,0]=4 806 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [1,0,0,0,0,1|2,0,0]=4 807 B10R0.44 NC[C@H](O)C[C@@H](N)CC(=O)O CNP0148368.1 [0,0,0,0,0,2|2,0,0]=4 808 B10R0.57 CCC(C)C(=O)NCC(=O)O CNP0082309.0 [0,0,0,0,0,2|1,0,1]=4 809 B10R0.57 CCC(O)C(O)CCC(=O)O CNP0552355.0 [0,0,0,0,0,2|2,0,0]=4 810 B10R0.57 CC[C@@H](O)[C@@H](C)/C=C/C(=O)O CNP0279835.1 [0,0,0,0,0,2|2,0,0]=4 811 B10R0.57 CC[C@@H](O)[C@H](C)/C=C/C(=O)O CNP0279835.2 [0,0,0,0,0,2|2,0,0]=4 812 B10R0.57 CC[C@H](O)[C@@H](C)/C=C/C(=O)O CNP0279835.3 [0,0,0,0,0,2|2,0,0]=4 813 B10R0.82 C/C(=C/C[C@H](N)C(=O)O)/CO CNP0153895.1 [0,0,0,0,0,2|1,0,1]=4 814 B10R0.82 C/C(=C\C[C@H](N)C(=O)O)/CO CNP0153895.2 [0,0,0,0,0,2|1,0,1]=4 815 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O CNP0308911.1 [0,0,0,0,0,2|2,0,0]=4