0 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.16 CCC(CC)CC(C)C CNP0577588.0 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.16 CCN(CC)CC(=O)O CNP0048744.0 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.16 COC(CC(C)C)OC CNP0256947.0 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,0,0,0,0,0|0,0,2]=3 26 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.12 C=CCC(CC)CC CNP0564971.0 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.12 CCCC(CC)CC CNP0154770.0 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [1,0,0,0,0,0|3,0,0]=4 33 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.39 CCC(OC(=O)C)C(C)C CNP0611985.0 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.39 CC[C@@H](CC(=O)O)C(C)C CNP0293988.1 [0,1,0,0,0,0|3,0,0]=4 36 B9R0.39 CC[C@H](CC(=O)O)C(C)C CNP0293988.2 [0,1,0,0,0,0|3,0,0]=4 37 B9R0.41 CCC(CC)[C@@H](N)C(=O)O CNP0494081.2 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.41 CCC(CC)[C@H](N)C(=O)O CNP0494081.1 [0,1,0,0,0,0|3,0,0]=4 39 B9R0.63 COP(=O)(NC(=O)C)SC CNP0482847.0 [0,1,0,0,0,0|2,1,0]=4 40 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.2 COC1CN(CCO1)C CNP0462036.0 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [0,0,0,1,0,0|2,1,0]=4 48 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,0,0,1,0,0|3,0,0]=4 50 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,0,0,0,1,0|2,0,0]=3 51 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [0,0,0,0,1,0|3,0,0]=4 52 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [0,0,0,0,1,0|3,0,0]=4 53 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,0,0,0,1,0|3,0,0]=4 54 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,0,0,0,1,0|3,0,0]=4 55 B9R0.43 CCC(C=CC(=O)C)CC CNP0612140.0 [0,0,0,0,0,1|2,0,1]=4 56 B9R0.43 CCC(CC)COC(=O)C CNP0003350.0 [0,0,0,0,0,1|2,0,0]=3 57 B6R0.1 CCC(C)CC=O CNP0531748.0 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.1 CCC(C)NC=O CNP0583042.0 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.1 CCC(C)OC=O CNP0570369.0 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [2,0,0,0,0,0|0,1,1]=4 62 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.1 CCOC(C)OC CNP0612171.0 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|0,0,2]=4 68 B6R0.1 CSC(C)CC=O CNP0002406.0 [2,0,0,0,0,0|0,1,0]=3 69 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [2,0,0,0,0,0|0,0,2]=4 70 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [2,0,0,0,0,0|0,0,2]=4 74 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [2,0,0,0,0,0|0,0,2]=4 75 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [2,0,0,0,0,0|0,0,2]=4 76 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [2,0,0,0,0,0|0,0,2]=4 77 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [2,0,0,0,0,0|0,0,0]=2 78 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [2,0,0,0,0,0|0,0,0]=2 79 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [2,0,0,0,0,0|0,0,0]=2 80 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [2,0,0,0,0,0|1,0,0]=3 81 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [2,0,0,0,0,0|1,1,0]=4 82 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.2 CC(C)CC(C)C CNP0241759.0 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.2 CC(C)CC(C)O CNP0493734.0 [2,0,0,0,0,0|0,0,2]=4 85 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [2,0,0,0,0,0|0,0,2]=4 96 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|1,1,0]=4 103 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.4 COCC=C(C)C CNP0493784.0 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.4 COCCC(C)C CNP0316382.0 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.4 COCCN(C)C CNP0429553.0 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|0,1,0]=3 117 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|1,1,0]=4 118 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,1,0]=4 119 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|1,1,0]=4 120 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.9 C=CC(OC)OC CNP0324949.0 [2,0,0,0,0,0|0,0,1]=3 122 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.9 CCC(C=O)CC CNP0353251.0 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.9 CCC(CC)CC CNP0205695.0 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.9 CCC(CC)SC CNP0410895.0 [2,0,0,0,0,0|1,1,0]=4 126 B6R0.9 CCC(OC)OC CNP0171881.0 [2,0,0,0,0,0|0,0,0]=2 127 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [1,1,0,0,0,0|2,0,0]=4 128 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [1,1,0,0,0,0|2,0,0]=4 129 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [1,1,0,0,0,0|2,0,0]=4 130 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [1,1,0,0,0,0|2,0,0]=4 131 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [1,1,0,0,0,0|2,0,0]=4 132 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [1,1,0,0,0,0|2,0,0]=4 134 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [1,1,0,0,0,0|2,0,0]=4 140 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|1,0,0]=3 147 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,1,0,0,0,0|0,0,2]=4 152 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,1,0,0,0,0|1,0,0]=3 153 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [1,1,0,0,0,0|1,0,0]=3 154 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,0]=3 158 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [1,1,0,0,0,0|0,0,2]=4 162 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|0,1,0]=3 163 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [1,1,0,0,0,0|1,1,0]=4 165 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [1,1,0,0,0,0|1,0,0]=3 166 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [1,1,0,0,0,0|1,1,0]=4 172 B8R0.24 COC(C)C[N+](C)(C)C CNP0501897.0 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [1,1,0,0,0,0|2,0,0]=4 174 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [1,1,0,0,0,0|0,1,0]=3 176 B8R0.11 CCCCC(OC)OC CNP0417281.0 [1,1,0,0,0,0|0,0,1]=3 177 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [1,1,0,0,0,0|1,1,0]=4 178 B8R0.22 COCC(COC)OC CNP0127784.0 [1,1,0,0,0,0|1,0,0]=3 179 B8R0.31 CCCC(C)(CC)OC CNP0082474.0 [1,1,0,0,0,0|1,0,1]=4 180 B10R0.54 COC(=O)[C@H](CC(=O)C)OC CNP0311272.1 [0,2,0,0,0,0|0,0,0]=2 181 B10R0.79 CCOC(CC(=O)C)OCC CNP0288150.0 [0,2,0,0,0,0|0,0,0]=2 182 B10R0.79 CCOC(CC(C)C)OCC CNP0003252.0 [0,2,0,0,0,0|1,0,1]=4 183 B10R0.87 CC#CCC(CC(=O)O)OC CNP0344902.0 [0,2,0,0,0,0|2,0,0]=4 184 B10R0.38 CCC(=O)C(C)C(CC)CC CNP0598134.0 [0,2,0,0,0,0|2,0,0]=4 185 B10R0.38 CCC(CC)[C@@H](N)C(=O)OC CNP0583209.2 [0,2,0,0,0,0|2,0,0]=4 186 B10R0.38 CCC(CC)[C@H](N)C(=O)OC CNP0583209.1 [0,2,0,0,0,0|2,0,0]=4 187 B10R0.53 CC[C@@H](CC(=O)OC)C(C)C CNP0179585.1 [0,2,0,0,0,0|2,0,0]=4 188 B10R0.53 CC[C@H](CC(=O)OC)C(C)C CNP0179585.2 [0,2,0,0,0,0|2,0,0]=4 189 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [1,0,0,1,0,0|0,0,2]=4 193 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [1,0,0,1,0,0|0,0,2]=4 198 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,0]=3 205 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.8 CCCN1OCCO1 CNP0257167.0 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,0,1,1,0|2,0,0]=4 215 B8R1.7 CC(C)C1OCCO1 CNP0538758.0 [0,0,0,1,1,0|1,0,1]=4 216 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,0,0,1,1,0|2,0,0]=4 217 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,0,0,1,0,1|1,0,0]=3 218 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,0,0,1,0,1|1,0,0]=3 219 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,0,0,1,0,1|2,0,0]=4 220 B10R1.197 COC1=CCCC(=O)CC1 CNP0219290.0 [0,0,0,1,0,1|1,0,1]=4 221 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [0,1,0,1,0,0|1,0,1]=4 222 B10R1.10 CCOC1CN(CCO1)C CNP0000083.0 [0,1,0,1,0,0|2,0,0]=4 223 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,1,0,1,0,0|2,0,0]=4 224 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,1,0,1,0,0|2,0,0]=4 225 B10R1.39 CC(=O)[C@H]1COC[C@@H]1CO CNP0311924.1 [0,1,0,1,0,0|2,0,0]=4 226 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,1,0,1,0,0|2,0,0]=4 227 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,1,0,1,0,0|2,0,0]=4 228 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.171 COC1C[N+](CCO1)(C)C CNP0526598.0 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.176 O=C1C[C@H](OC[C@@H]1O)CO CNP0110363.1 [0,1,0,1,0,0|2,0,0]=4 233 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,0,0,0,1,0|2,0,0]=4 234 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [1,0,0,0,1,0|2,0,0]=4 235 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,0,0,0,1,0|1,0,1]=4 236 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,0,0,0,1,0|1,0,0]=3 237 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,0,0,0,1,0|1,1,0]=4 238 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,0,0,0,1,0|1,0,0]=3 239 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,0,0,0,1,0|2,0,0]=4 240 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,0,0,0,1,0|2,0,0]=4 241 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,0,0,0,1,0|2,0,0]=4 242 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,0,0,0,1,0|1,0,0]=3 243 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,0,0,0,1,0|2,0,0]=4 244 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,0,0,0,1,0|1,0,0]=3 245 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,0,0,0,1,0|2,0,0]=4 246 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,0,0,0,1,0|2,0,0]=4 247 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,0,0,0,1,0|2,0,0]=4 248 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,0,0,0,1,0|2,0,0]=4 249 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [1,0,0,0,1,0|2,0,0]=4 250 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [1,0,0,0,1,0|2,0,0]=4 251 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,0,0,0,1,0|0,0,2]=4 252 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,0,0,0,1,0|0,0,0]=2 253 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,0,0,0,1,0|0,1,0]=3 254 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [1,0,0,0,0,1|1,0,1]=4 255 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [1,0,0,0,0,1|2,0,0]=4 256 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [1,0,0,0,0,1|2,0,0]=4 257 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [1,0,0,0,0,1|1,0,1]=4 258 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [1,0,0,0,0,1|1,0,1]=4 259 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [1,0,0,0,0,1|1,0,1]=4 260 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,0,0,0,0,1|1,0,0]=3 261 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [1,0,0,0,0,1|1,0,0]=3 262 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [1,0,0,0,0,1|2,0,0]=4 263 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [1,0,0,0,0,1|1,0,0]=3 264 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,0,0,0,0,1|0,0,2]=4 265 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [1,0,0,0,0,1|0,0,2]=4