0 B9R0.1 C=C(CC)CCC=C(C)C CNP0507875.0 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,0,0,0,0,0|0,0,0]=0 8 B9R0.1 CCC(=O)OCC[N+](=O)[O-] CNP0502112.0 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.6 CCC(C)OCCCO CNP0593328.0 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,0,0,0,0,0|1,0,2]=4 28 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,0,0,0,0,0|0,0,0]=1 29 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,0,0,0,0,0|1,0,1]=3 36 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [1,0,0,0,0,0|1,0,2]=4 42 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [1,0,0,0,0,0|0,0,2]=3 44 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,0,0,0,0,0|1,0,1]=3 47 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,0,0,0,0,0|1,0,0]=2 50 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [1,0,0,0,0,0|1,0,1]=3 51 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [1,0,0,0,0,0|0,0,2]=3 53 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [1,0,0,0,0,0|0,0,0]=1 54 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [1,0,0,0,0,0|1,0,0]=2 55 B8R0.28 CC(=O)OCN=[N+](C)[O-] CNP0040198.0 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [1,0,0,0,0,0|0,1,2]=4 57 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [1,0,0,0,0,0|0,1,0]=2 58 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [1,0,0,0,0,0|2,0,0]=3 59 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [1,0,0,0,0,0|1,0,2]=4 65 B8R0.28 CC(C)CCN[S+](C)[O-] CNP0585903.0 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,0,0,0,0,0|3,0,0]=4 68 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,1,0,0,0,0|0,0,2]=3 69 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,1,0,0,0,0|2,0,0]=3 70 B10R0.3 CC(=CCO)CCCC(C)C CNP0076235.0 [0,1,0,0,0,0|2,0,1]=4 71 B10R0.3 CC(C)CCC[C@@H](C)CCO CNP0232963.2 [0,1,0,0,0,0|2,0,1]=4 72 B10R0.3 CC(C)CCC[C@H](C)CCO CNP0232963.1 [0,1,0,0,0,0|2,0,1]=4 73 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,1,0,0,0,0|0,0,0]=1 74 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,1,0,0,0,0|2,0,1]=4 75 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,1,0,0,0,0|2,0,1]=4 77 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,1,0,0,0,0|1,0,0]=2 78 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,1,0,0,0,0|2,0,0]=3 79 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,1,0,0,0,0|1,0,0]=2 80 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [0,1,0,0,0,0|1,0,0]=2 81 B10R0.44 CC[C@H](C)C[C@H](C)CC(C)C CNP0312404.1 [0,1,0,0,0,0|2,0,1]=4 82 B10R0.59 CC/C(=C/CC[C@@H](O)CC)/C CNP0213896.1 [0,1,0,0,0,0|3,0,0]=4 83 B10R0.59 CC/C(=C/CC[C@H](O)CC)/C CNP0213896.2 [0,1,0,0,0,0|3,0,0]=4 84 B10R0.59 CCC(C)CCCC(C)CC CNP0203381.0 [0,1,0,0,0,0|2,0,1]=4 85 B10R0.60 C=C(CC)CCCC(C)(C)O CNP0076164.0 [0,1,0,0,0,0|2,0,0]=3 86 B10R0.60 CCC(=O)OCC[N+](C)(C)C CNP0582310.0 [0,1,0,0,0,0|1,0,0]=2 87 B10R0.60 CC[C@@H](C)CCCC(C)(C)O CNP0309956.2 [0,1,0,0,0,0|2,0,1]=4 88 B10R0.60 CC[C@H](C)CCCC(C)(C)O CNP0309956.1 [0,1,0,0,0,0|2,0,1]=4 89 B10R0.65 CCC(C)(C)CCCC(C)C CNP0527560.0 [0,1,0,0,0,0|2,0,1]=4 90 B10R0.65 CCC(C)(O)CCCC(C)C CNP0083056.0 [0,1,0,0,0,0|1,0,2]=4 91 B10R0.98 CC(=CCOC(=O)C(C)C)C CNP0003209.0 [0,1,0,0,0,0|0,0,2]=3 92 B10R0.98 CC(=CCSC(=O)C(C)C)C CNP0197381.0 [0,1,0,0,0,0|0,1,2]=4 93 B10R0.98 CC(=O)C(=O)OCCC(C)C CNP0002700.0 [0,1,0,0,0,0|0,0,1]=2 94 B10R0.98 CC(C)CCOC(=O)C(C)C CNP0252990.0 [0,1,0,0,0,0|0,0,0]=1 95 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [0,1,0,0,0,0|0,0,0]=1 96 B10R1.13 C=C(C)C1CCC(=O)CC1 CNP0563054.0 [0,0,0,1,0,0|1,0,2]=4 97 B10R1.13 C=C1C=C[C@@H](CC1)C(C)C CNP0204388.2 [0,0,0,1,0,0|2,0,1]=4 98 B10R1.13 C=C1C=C[C@H](CC1)C(C)C CNP0204388.1 [0,0,0,1,0,0|2,0,1]=4 99 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,0,0,1,0,0|1,0,0]=2 101 B10R1.13 CC(C)C1CCC(CC1)O CNP0080136.0 [0,0,0,1,0,0|1,0,2]=4 102 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [0,0,0,1,0,0|1,0,1]=3 103 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [0,0,0,1,0,0|1,0,1]=3 104 B10R1.13 CC(C)[C@H]1CC[C@@H](CC1)C CNP0298986.1 [0,0,0,1,0,0|2,0,1]=4 105 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)C CNP0298986.2 [0,0,0,1,0,0|2,0,1]=4 106 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [0,0,0,1,0,0|2,0,0]=3 107 B10R1.13 CC1=CC[C@@H](CC1)N(C)C CNP0566252.1 [0,0,0,1,0,0|3,0,0]=4 108 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [0,0,0,1,0,0|2,0,0]=3 109 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,0,0,1,0,0|2,0,0]=3 110 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,0,0,1,0,0|2,0,0]=3 111 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 CNP0444471.1 [0,0,0,1,0,0|1,0,0]=2 112 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [0,0,0,1,0,0|2,0,1]=4 113 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@H]1C CNP0176461.1 [0,0,0,1,0,0|1,0,1]=3 114 B10R1.194 CC(C)C1CCC(=O)C1=O CNP0002623.0 [0,0,0,1,0,0|2,0,1]=4 115 B10R1.194 CC(C)C1CCC(C1C)C CNP0058369.0 [0,0,0,1,0,0|2,0,1]=4 116 B10R1.194 C[C@H]1C(=O)OC[C@@H]1C(=O)O CNP0122387.1 [0,0,0,1,0,0|2,0,1]=4 117 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,0,0,1,0,0|1,0,2]=4 118 B10R1.485 CC[C@@]1(CCC[C@@H](C1)C)O CNP0046159.2 [0,0,0,1,0,0|1,0,2]=4 119 B10R1.485 CC[C@@]1(CCC[C@H](C1)C)O CNP0046159.3 [0,0,0,1,0,0|1,0,2]=4 120 B10R1.485 CC[C@]1(CCC[C@@H](C1)C)O CNP0046159.4 [0,0,0,1,0,0|1,0,2]=4 121 B10R1.485 CC[C@]1(CCC[C@H](C1)C)O CNP0046159.1 [0,0,0,1,0,0|1,0,2]=4 122 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,0,0,0,1,0|3,0,0]=4 123 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,0,0,0,1,0|0,0,2]=3 124 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,0,0,0,1,0|1,0,1]=3 125 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,0,0,0,1,0|2,0,1]=4 126 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,0,0,0,1,0|0,0,0]=1 127 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,0,0,0,1,0|1,0,0]=2 128 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,0,0,0,1,0|2,0,1]=4 129 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,0,0,0,1,0|0,0,0]=1 130 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,0,0,0,1,0|1,0,1]=3 131 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,0,0,0,1,0|2,0,1]=4 132 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,0,0,0,1,0|0,0,2]=3 133 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,0,0,0,1,0|1,0,2]=4 134 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,0,0,0,1,0|2,0,1]=4 135 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,0,0,0,1,0|1,0,0]=2 136 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,0,0,0,1,0|1,0,0]=2 137 B10R0.55 CCC(=O)C=CCC=C(C)C CNP0093089.0 [0,0,0,0,0,1|1,0,2]=4 138 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,0,0,0,0,1|2,0,0]=3 139 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.1 CCC#CCCCC CNP0602501.0 [2,0,0,0,0,0|1,0,1]=4 141 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|1,0,0]=3 142 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.1 CCCCOCCO CNP0080154.0 [2,0,0,0,0,0|1,0,1]=4 147 B7R0.3 C=C(CC)CCCC CNP0084703.0 [2,0,0,0,0,0|1,0,0]=3 148 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [2,0,0,0,0,0|0,0,2]=4 149 B7R0.3 CCC(=O)CCSC CNP0003468.0 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.3 CCC(=O)OCCO CNP0095595.0 [2,0,0,0,0,0|1,0,0]=3 151 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [2,0,0,0,0,0|0,0,2]=4 152 B7R0.3 CCCC=C(C)CC CNP0263169.0 [2,0,0,0,0,0|1,0,1]=4 153 B7R0.3 CCCCC(=O)CC CNP0286726.0 [2,0,0,0,0,0|0,0,0]=2 154 B7R0.3 CCCCC(=O)OC CNP0184855.0 [2,0,0,0,0,0|1,0,0]=3 155 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [2,0,0,0,0,0|1,0,1]=4 157 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [2,0,0,0,0,0|0,0,2]=4 158 B7R0.3 CCCOC(=O)CC CNP0296678.0 [2,0,0,0,0,0|0,0,0]=2 159 B7R0.3 CCOCC(=O)OC CNP0306071.0 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.3 COC(=O)CCSC CNP0302353.0 [2,0,0,0,0,0|2,0,0]=4 161 B7R0.4 C=CCCCC(C)C CNP0359236.0 [2,0,0,0,0,0|1,0,1]=4 162 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [2,0,0,0,0,0|0,0,2]=4 163 B7R0.4 CC(=O)OCCCS CNP0325111.0 [2,0,0,0,0,0|1,0,0]=3 164 B7R0.4 CC(C)CCCCO CNP0497904.0 [2,0,0,0,0,0|1,0,1]=4 165 B7R0.4 CC(C)CCNC=O CNP0473179.0 [2,0,0,0,0,0|1,0,0]=3 166 B7R0.4 CC(C)CCOC=O CNP0324042.0 [2,0,0,0,0,0|0,0,0]=2 167 B7R0.4 CC(C)CCON=O CNP0341686.0 [2,0,0,0,0,0|1,0,0]=3 168 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|1,0,1]=4 169 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|1,0,1]=4 170 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|1,0,1]=4 171 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|1,0,1]=4 172 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|1,0,0]=3 173 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|2,0,0]=4 174 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|2,0,0]=4 175 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|0,0,1]=3 176 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|2,0,0]=4 177 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [2,0,0,0,0,0|1,0,1]=4 178 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|1,0,1]=4 179 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [2,0,0,0,0,0|1,0,1]=4 180 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [2,0,0,0,0,0|1,0,1]=4 181 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|1,0,1]=4 182 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [2,0,0,0,0,0|1,0,1]=4 183 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|0,0,0]=2 184 B7R0.4 CCCNCC(C)C CNP0333564.0 [2,0,0,0,0,0|1,0,1]=4 185 B7R0.4 CCCSCC(C)C CNP0116113.0 [2,0,0,0,0,0|0,1,1]=4 186 B7R0.4 CCCSOC(=O)C CNP0411356.0 [2,0,0,0,0,0|1,0,0]=3 187 B7R0.4 CCNCCC(C)C CNP0184897.0 [2,0,0,0,0,0|1,0,0]=3 188 B7R0.4 CCOCC=C(C)C CNP0002719.0 [2,0,0,0,0,0|0,0,2]=4 189 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|1,0,1]=4 190 B7R0.4 CCOCCC(C)C CNP0032749.0 [2,0,0,0,0,0|0,0,0]=2 191 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|2,0,0]=4 192 B7R0.4 COCCOC(=O)C CNP0278807.0 [2,0,0,0,0,0|1,0,0]=3 193 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [2,0,0,0,0,0|0,0,2]=4 194 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [1,1,0,0,0,0|0,0,1]=3 197 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [1,1,0,0,0,0|1,0,1]=4 198 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,1,0,0,0,0|1,0,0]=3 199 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,1,0,0,0,0|1,0,0]=3 200 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,1,0,0,0,0|1,0,0]=3 201 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [1,1,0,0,0,0|0,0,0]=2 202 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [1,1,0,0,0,0|1,0,1]=4 203 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [1,1,0,0,0,0|2,0,0]=4 204 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [1,1,0,0,0,0|2,0,0]=4 205 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [1,1,0,0,0,0|2,0,0]=4 206 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [1,1,0,0,0,0|1,0,0]=3 207 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [1,1,0,0,0,0|2,0,0]=4 208 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [1,1,0,0,0,0|2,0,0]=4 209 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [1,1,0,0,0,0|1,0,1]=4 210 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [1,1,0,0,0,0|1,0,0]=3 211 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [1,1,0,0,0,0|1,0,0]=3 212 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [1,1,0,0,0,0|0,0,0]=2 213 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [1,1,0,0,0,0|2,0,0]=4 214 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [1,1,0,0,0,0|0,0,0]=2 215 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [1,1,0,0,0,0|2,0,0]=4 216 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [1,1,0,0,0,0|2,0,0]=4 217 B9R0.46 C=CC(=O)OCCOCC CNP0523688.0 [1,1,0,0,0,0|0,0,2]=4 218 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [1,1,0,0,0,0|1,0,1]=4 219 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [1,1,0,0,0,0|2,0,0]=4 220 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,1,0,0,0,0|1,0,0]=3 221 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,1,0,0,0,0|2,0,0]=4 222 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [1,1,0,0,0,0|0,0,0]=2 223 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [1,1,0,0,0,0|1,0,0]=3 224 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [1,1,0,0,0,0|0,0,1]=3 225 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,1,0,0,0,0|1,0,1]=4 226 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [1,1,0,0,0,0|2,0,0]=4 227 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [1,1,0,0,0,0|1,0,0]=3 228 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [1,1,0,0,0,0|0,0,0]=2 229 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [1,1,0,0,0,0|0,0,0]=2 230 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [1,1,0,0,0,0|1,0,0]=3 231 B9R0.2 CC=CCSCCC(C)C CNP0480091.0 [1,1,0,0,0,0|0,1,1]=4 232 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,1,0,0,0,0|1,0,1]=4 233 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [1,1,0,0,0,0|1,0,1]=4 234 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [1,1,0,0,0,0|1,0,1]=4 235 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [1,1,0,0,0,0|0,0,2]=4 236 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [1,1,0,0,0,0|1,0,1]=4 237 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [1,1,0,0,0,0|2,0,0]=4 238 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [1,1,0,0,0,0|1,0,1]=4 239 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [1,1,0,0,0,0|1,0,1]=4 240 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [1,1,0,0,0,0|1,0,1]=4 241 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [1,1,0,0,0,0|2,0,0]=4 242 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [1,1,0,0,0,0|1,0,0]=3 243 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [1,1,0,0,0,0|1,0,1]=4 244 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [1,1,0,0,0,0|0,0,0]=2 245 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [1,1,0,0,0,0|2,0,0]=4 246 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [1,1,0,0,0,0|2,0,0]=4 247 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [1,1,0,0,0,0|1,0,0]=3 248 B9R0.56 CC(=O)OCCC(C)(C)S CNP0128324.0 [1,1,0,0,0,0|0,0,0]=2 249 B9R0.56 CC(=O)OCC[As+](C)(C)C CNP0017843.0 [1,1,0,0,0,0|1,0,0]=3 250 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0482920.0 [1,1,0,0,0,0|1,0,0]=3 251 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0521268.0 [1,1,0,0,0,0|1,0,0]=3 252 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0569856.0 [1,1,0,0,0,0|1,0,0]=3 253 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0583054.0 [1,1,0,0,0,0|1,0,0]=3 254 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0584438.0 [1,1,0,0,0,0|1,0,0]=3 255 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0529912.0 [1,1,0,0,0,0|2,0,0]=4 256 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0532437.0 [1,1,0,0,0,0|2,0,0]=4 257 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [0,1,0,0,1,0|0,0,0]=2 258 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [0,1,0,0,1,0|2,0,0]=4 259 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,1,0,0,1,0|0,0,1]=3 260 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,1,0,0,1,0|1,0,1]=4 261 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,1,0,0,1,0|1,0,0]=3 262 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,1,0,0,1,0|1,0,0]=3 263 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,1,0,0,1,0|1,0,0]=3 264 B9R0.43 CCC(CC)CCC(C)C CNP0312262.0 [0,1,0,0,1,0|1,0,1]=4 265 B11R0.29 CC(C)CCCOC(=O)C(C)C CNP0167474.0 [0,1,0,0,0,1|0,0,0]=2 266 B11R0.29 CC(C)CCCOC(=O)C(Cl)Cl CNP0482972.0 [0,1,0,0,0,1|1,0,0]=3 267 B11R0.145 CC=C(C)C(=O)OCCC(C)C CNP0234140.0 [0,1,0,0,0,1|1,0,1]=4 268 B11R0.145 CC[C@@H](C)C(=O)OCCC(C)C CNP0330262.1 [0,1,0,0,0,1|1,0,1]=4 269 B11R0.176 CCCC(=O)OCCCC(C)C CNP0508013.0 [0,1,0,0,0,1|0,0,0]=2 270 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,1,0,0,0,1|1,0,0]=3 271 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,1,0,0,0,1|2,0,0]=4 272 B11R0.6 C=C(C)CCOC(=O)CC(=C)C CNP0386732.0 [0,2,0,0,0,0|0,0,2]=4 273 B11R0.6 C=C(C)CCOC(=O)CC(C)C CNP0147789.0 [0,2,0,0,0,0|0,0,2]=4 274 B11R0.6 CC(=CC(=O)OCCC(C)C)C CNP0302991.0 [0,2,0,0,0,0|0,0,1]=3 275 B11R0.6 CC(=CCOC(=O)CC(C)C)C CNP0115393.0 [0,2,0,0,0,0|0,0,2]=4 276 B11R0.6 CC(=O)CC(=O)OCCC(C)C CNP0002893.0 [0,2,0,0,0,0|0,0,0]=2 277 B11R0.6 CC(C)CCOC(=O)CC(C)C CNP0335578.0 [0,2,0,0,0,0|0,0,0]=2 278 B11R0.147 CCCCC(=O)OCCC(C)C CNP0141436.0 [0,2,0,0,0,0|0,0,0]=2 279 B11R0.174 CCCC(=O)OCCC(C)CC CNP0235877.0 [0,2,0,0,0,0|0,0,0]=2 280 B11R0.180 CCCC(=O)OCC[N+](C)(C)C CNP0549253.0 [0,2,0,0,0,0|1,0,0]=3 281 B11R0.180 CCCC(=O)OCC[N+](C)(C)C CNP0602327.0 [0,2,0,0,0,0|1,0,0]=3 282 B11R0.180 CCCC(=O)SCC[N+](C)(C)C CNP0516061.0 [0,2,0,0,0,0|1,1,0]=4 283 B11R0.180 CCOC(=O)CCC[N+](C)(C)C CNP0063315.0 [0,2,0,0,0,0|2,0,0]=4 284 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [1,0,0,1,0,0|1,0,0]=3 285 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [1,0,0,1,0,0|2,0,0]=4 286 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [1,0,0,1,0,0|2,0,0]=4 287 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|1,0,0]=3 288 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|0,0,0]=2 289 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [1,0,0,1,0,0|2,0,0]=4 290 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [1,0,0,1,0,0|1,0,1]=4 291 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [1,0,0,1,0,0|0,0,0]=2 292 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [1,0,0,1,0,0|1,0,0]=3 293 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [1,0,0,1,0,0|1,0,0]=3 294 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [1,0,0,1,0,0|2,0,0]=4 295 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [1,0,0,1,0,0|2,0,0]=4 296 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|1,0,0]=3 297 B9R1.6 CC(C)C1CC=CCC1 CNP0550039.0 [1,0,0,1,0,0|1,0,0]=3 298 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [1,0,0,1,0,0|1,0,1]=4 299 B9R1.24 CC=C1CCCC1(C)C CNP0330469.0 [1,0,0,1,0,0|1,0,1]=4 300 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [1,0,0,1,0,0|1,0,1]=4 301 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [1,0,0,1,0,0|0,0,2]=4 302 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [1,0,0,1,0,0|2,0,0]=4 303 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [1,0,0,1,0,0|2,0,0]=4 304 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [1,0,0,1,0,0|1,0,0]=3 305 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [1,0,0,1,0,0|2,0,0]=4 306 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [1,0,0,1,0,0|1,0,0]=3 307 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [1,0,0,1,0,0|1,0,0]=3 308 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [0,0,0,1,1,0|1,0,1]=4 309 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,0,0,1,1,0|0,0,2]=4 310 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,0,0,1,1,0|1,0,1]=4 311 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,0,0,1,1,0|2,0,0]=4 312 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,0,0,1,1,0|1,0,0]=3 313 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,0,0,1,1,0|1,0,0]=3 314 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [0,0,0,1,1,0|1,0,1]=4 315 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,0,0,1,1,0|1,0,0]=3 316 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [0,0,0,1,1,0|2,0,0]=4 317 B11R1.75 C[S+]([O-])CC[C@H]1CCC(=O)O1 CNP0581959.1 [0,0,0,1,0,1|2,0,0]=4 318 B11R1.157 C[C@H](O)C[C@H]1CC=CC(=O)O1 CNP0256359.1 [0,1,0,1,0,0|1,0,1]=4 319 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,1,0,1,0,0|2,0,0]=4 320 B11R1.166 CC1=CC[C@@H]([C@H](C1)O)C(C)C CNP0359399.1 [0,1,0,1,0,0|2,0,0]=4 321 B11R1.166 CC1=CC[C@H]([C@@H](C1)O)C(C)C CNP0359399.2 [0,1,0,1,0,0|2,0,0]=4 322 B11R1.166 CC1=CC[C@H]([C@H](C1)O)C(C)C CNP0359399.3 [0,1,0,1,0,0|2,0,0]=4 323 B11R1.166 CC1=C[C@@H]([C@@H](CC1)C(C)C)O CNP0246159.3 [0,1,0,1,0,0|2,0,0]=4 324 B11R1.166 CC1=C[C@@H]([C@H](CC1)C(C)C)O CNP0246159.2 [0,1,0,1,0,0|2,0,0]=4 325 B11R1.166 CC1=C[C@H]([C@@H](CC1)C(C)C)O CNP0246159.4 [0,1,0,1,0,0|2,0,0]=4 326 B11R1.166 CC1=C[C@H]([C@H](CC1)C(C)C)O CNP0246159.1 [0,1,0,1,0,0|2,0,0]=4 327 B11R1.424 CC1=CCCC(C1CO)(C)C CNP0086275.0 [0,1,0,1,0,0|2,0,0]=4 328 B11R1.1251 CCO[P@@]1(=O)CCC[C@@H](C1)C CNP0060412.1 [0,1,0,1,0,0|2,0,0]=4 329 B11R1.1251 CCO[P@@]1(=O)CCC[C@H](C1)C CNP0060412.2 [0,1,0,1,0,0|2,0,0]=4 330 B11R1.1251 CCO[P@]1(=O)CCC[C@@H](C1)C CNP0060412.3 [0,1,0,1,0,0|2,0,0]=4 331 B11R1.1251 CCO[P@]1(=O)CCC[C@H](C1)C CNP0060412.4 [0,1,0,1,0,0|2,0,0]=4 332 B11R1.80 CC(=O)C[C@@H]1C[C@@H](C(=O)O1)C CNP0237623.3 [0,1,0,1,0,0|1,0,1]=4 333 B11R1.80 CC(=O)C[C@@H]1C[C@H](C(=O)O1)C CNP0237623.2 [0,1,0,1,0,0|1,0,1]=4 334 B11R1.80 CC(=O)C[C@H]1C[C@H](C(=O)O1)C CNP0237623.1 [0,1,0,1,0,0|1,0,1]=4 335 B11R1.80 CC(C)C[C@H]1C[C@@H](C(=O)O1)O CNP0356426.1 [0,1,0,1,0,0|0,0,0]=2 336 B11R1.80 CC1=NC(SC1C)CC(C)C CNP0202504.0 [0,1,0,1,0,0|2,0,0]=4 337 B11R1.21 C=C1CCC(CC1O)C(C)C CNP0611280.0 [0,1,0,1,0,0|2,0,0]=4 338 B11R1.21 C=C1CC[C@@H](CC1=O)C(C)C CNP0243861.1 [0,1,0,1,0,0|2,0,0]=4 339 B11R1.21 CC1=CCC(CC1O)C(C)C CNP0150657.0 [0,1,0,1,0,0|2,0,0]=4 340 B11R1.22 C=C1CCC(CC1)C(C)CO CNP0512588.0 [0,1,0,1,0,0|2,0,0]=4 341 B11R1.22 CC1=CC[C@@H](CC1)[C@@H](C)CO CNP0326414.1 [0,1,0,1,0,0|2,0,0]=4 342 B11R1.22 CC1=CC[C@H](CC1)[C@H](C)CO CNP0326414.2 [0,1,0,1,0,0|2,0,0]=4 343 B11R1.22 CC[C@@H](O)C1CCC(=O)CC1 CNP0040123.1 [0,1,0,1,0,0|2,0,0]=4 344 B11R1.19 C=C1CCC(CC1)C(C)(C)O CNP0228122.0 [0,1,0,1,0,0|2,0,0]=4 345 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)O CNP0311257.1 [0,1,0,1,0,0|2,0,0]=4 346 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)S CNP0151939.1 [0,1,0,1,0,0|2,0,0]=4 347 B11R1.19 CC1=CC[C@H](CC1)C(C)(C)O CNP0311257.2 [0,1,0,1,0,0|2,0,0]=4 348 B11R1.76 C[N+](C)(C)C[C@H]1CCC(=O)O1 CNP0550892.1 [0,1,0,1,0,0|1,0,0]=3 349 B11R1.3 CC(C)[C@@H]1CC=C(CC1)C=O CNP0124870.1 [0,1,0,1,0,0|1,0,0]=3 350 B11R1.3 CC(C)[C@@H]1CC=C(CC1)CO CNP0059431.1 [0,1,0,1,0,0|1,0,1]=4 351 B11R1.3 CC(C)[C@H]1CC=C(CC1)C=O CNP0124870.2 [0,1,0,1,0,0|1,0,0]=3 352 B11R1.220 C=C1CCC(CC1)(O)C(C)C CNP0109497.0 [0,1,0,1,0,0|2,0,0]=4 353 B11R1.220 CC1=CC[C@@](CC1)(C)C(C)C CNP0383820.1 [0,1,0,1,0,0|2,0,0]=4 354 B11R1.220 CC1=CC[C@@](CC1)(O)C(C)C CNP0224794.2 [0,1,0,1,0,0|2,0,0]=4 355 B11R1.220 CC1=CC[C@](CC1)(O)C(C)C CNP0224794.1 [0,1,0,1,0,0|2,0,0]=4 356 B11R1.314 CN(C)C(=O)[C@H]1CCC(=O)O1 CNP0022482.1 [0,1,0,1,0,0|1,0,1]=4 357 B11R2.39 C=C1CC[C@H]2[C@@H](C1)C2(C)C CNP0102898.1 [0,0,0,2,0,0|2,0,0]=4 358 B11R2.39 CC1=CC[C@@H]2[C@H](C1)C2(C)C CNP0174002.2 [0,0,0,2,0,0|2,0,0]=4 359 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C CNP0174002.1 [0,0,0,2,0,0|2,0,0]=4 360 B11R2.39 CC1=C[C@@H]2[C@@H](C2(C)C)CC1 CNP0263147.2 [0,0,0,2,0,0|2,0,0]=4 361 B11R2.39 CC1=C[C@@H]2[C@H](C2(C)C)CC1 CNP0263147.1 [0,0,0,2,0,0|2,0,0]=4 362 B11R2.39 CC1=C[C@H]2[C@@H](C2(C)C)CC1 CNP0263147.4 [0,0,0,2,0,0|2,0,0]=4 363 B11R2.39 CC1=C[C@H]2[C@H](C2(C)C)CC1 CNP0263147.3 [0,0,0,2,0,0|2,0,0]=4 364 B11R2.533 C=C1CCC2C[C@@H]1C2(C)C CNP0210402.1 [0,0,0,2,0,0|2,0,0]=4 365 B11R2.533 C=C1CC[C@@H]2CC1C2(C)C CNP0210402.2 [0,0,0,2,0,0|2,0,0]=4 366 B11R2.533 C=C1CC[C@@H]2C[C@H]1C2(C)C CNP0210402.4 [0,0,0,2,0,0|2,0,0]=4 367 B11R2.533 C=C1CC[C@H]2C[C@@H]1C2(C)C CNP0210402.3 [0,0,0,2,0,0|2,0,0]=4 368 B11R2.533 CC1([C@@H]2CCC(=O)[C@H]1C2)C CNP0141735.2 [0,0,0,2,0,0|1,0,0]=3 369 B11R2.533 CC1([C@H]2CCC(=O)[C@@H]1C2)C CNP0141735.1 [0,0,0,2,0,0|1,0,0]=3 370 B11R2.533 CC1=C2CC(C2(C)C)CC1 CNP0596283.0 [0,0,0,2,0,0|2,0,0]=4 371 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C CNP0203449.1 [0,0,0,2,0,0|2,0,0]=4 372 B11R2.533 CC1=CC[C@H]2CC1C2(C)C CNP0203449.3 [0,0,0,2,0,0|2,0,0]=4 373 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C CNP0203449.2 [0,0,0,2,0,0|2,0,0]=4 374 B11R2.746 C=C1CCC2([C@@H]1C2)C(C)C CNP0146195.6 [0,0,0,2,0,0|2,0,0]=4 375 B11R2.746 C=C1CCC2([C@H]1C2)C(C)C CNP0146195.3 [0,0,0,2,0,0|2,0,0]=4 376 B11R2.746 C=C1CC[C@@]2([C@@H]1C2)C(C)C CNP0146195.4 [0,0,0,2,0,0|2,0,0]=4 377 B11R2.746 C=C1CC[C@@]2([C@H]1C2)C(C)C CNP0146195.2 [0,0,0,2,0,0|2,0,0]=4 378 B11R2.746 C=C1CC[C@]2([C@@H]1C2)C(C)C CNP0146195.1 [0,0,0,2,0,0|2,0,0]=4 379 B11R2.746 C=C1CC[C@]2([C@H]1C2)C(C)C CNP0146195.5 [0,0,0,2,0,0|2,0,0]=4 380 B11R2.746 CC(C)[C@]12C=CC(=O)[C@H]1C2 CNP0235900.1 [0,0,0,2,0,0|1,0,1]=4 381 B11R2.746 CC(C)[C@]12CCC(=O)[C@H]1C2 CNP0328075.1 [0,0,0,2,0,0|1,0,0]=3 382 B11R2.746 CC1=CCC2([C@@H]1C2)C(C)C CNP0154452.1 [0,0,0,2,0,0|2,0,0]=4 383 B11R2.746 CC1=CC[C@@]2(C1C2)C(C)C CNP0154452.4 [0,0,0,2,0,0|2,0,0]=4 384 B11R2.746 CC1=CC[C@@]2([C@H]1C2)C(C)C CNP0154452.2 [0,0,0,2,0,0|2,0,0]=4 385 B11R2.746 CC1=CC[C@]2([C@@H]1C2)C(C)C CNP0154452.3 [0,0,0,2,0,0|2,0,0]=4 386 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,0,0,0,1,0|0,0,2]=4 387 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,0,0,0,1,0|0,0,2]=4 388 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,0,0,0,1,0|1,0,1]=4 389 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,1,0|0,0,0]=2 390 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [1,0,0,0,1,0|1,0,1]=4 391 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,1,0|1,0,0]=3 392 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,1,0|1,0,0]=3 393 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,1,0|0,0,0]=2 394 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,0,0,0,1,0|1,0,0]=3 395 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,0,0,0,1,0|1,0,0]=3 396 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,0,0,1,0|1,0,0]=3 397 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [1,0,0,0,1,0|1,0,1]=4 398 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,0,0,0,1,0|2,0,0]=4 399 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,0,0,0,1,0|2,0,0]=4 400 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,0,0,0,1,0|2,0,0]=4 401 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,0,0,0,1,0|2,0,0]=4 402 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,0,0,0,1,0|2,0,0]=4 403 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,0,0,0,1,0|2,0,0]=4 404 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,0,0,0,1,0|2,0,0]=4 405 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,0,0,0,1,0|2,0,0]=4 406 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,0,0,0,2,0|1,0,1]=4 407 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,0,0,0,2,0|0,0,2]=4 408 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,0,0,0,2,0|0,0,0]=2 409 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,0,0,0,2,0|0,0,0]=2 410 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,0,0,0,2,0|1,0,1]=4 411 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,0,0,0,2,0|1,0,0]=3 412 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,0,0,0,2,0|2,0,0]=4 413 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,0,0,0,2,0|2,0,0]=4 414 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,0,0,0,2,0|2,0,0]=4 415 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,0,0,0,2,0|2,0,0]=4 416 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,0,0,0,2,0|2,0,0]=4 417 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,0,0,0,2,0|2,0,0]=4 418 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,0,0,0,2,0|1,0,0]=3