0 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.11 CCCCC(CC)CS CNP0002408.0 [0,0,0,0,0,0|0,1,3]=4 7 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [0,0,0,0,0,0|0,0,4]=4 9 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,0,0,0,0,0|0,0,2]=2 10 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [0,0,0,0,0,0|0,0,4]=4 11 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|0,0,1]=2 13 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|0,0,3]=4 16 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|0,0,1]=2 22 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|0,0,1]=2 23 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|0,0,1]=2 24 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,0,0,0,0,0|0,0,2]=3 26 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|0,0,3]=4 27 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|0,0,3]=4 28 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|0,0,3]=4 30 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,0,0,0,0,0|1,1,1]=4 32 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.3 COCC=C(C)CO CNP0311126.0 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.12 C=NC(=COC)CC CNP0213287.0 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.12 CCC=C(CC)CC CNP0530661.0 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.12 CCCC(CC)CC CNP0154770.0 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.12 CCCN(CC)CC CNP0172466.0 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.13 C=C(C)C(CC)CCCC CNP0505996.0 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.13 CCCCC(=NO)C(=O)O CNP0294790.0 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [0,1,0,0,0,0|1,0,2]=4 47 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [0,1,0,0,0,0|0,0,2]=3 48 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,1,0,0,0,0|0,0,2]=3 49 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,1,0,0,0,0|1,0,2]=4 50 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,1,0,0,0,0|0,0,2]=3 51 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,1,0,0,0,0|1,0,2]=4 52 B9R0.26 CC/C(=N\O)/C[C@@H](C)CC CNP0382804.1 [0,1,0,0,0,0|1,0,2]=4 53 B9R0.37 CCCC(=O)C(=NO)CC CNP0136885.0 [0,1,0,0,0,0|1,0,1]=3 54 B9R0.40 CCCC[C@H](/C=N/O)CC CNP0161686.1 [0,1,0,0,0,0|0,0,3]=4 55 B9R0.50 C=CC(CC)CC=CCC CNP0580048.0 [0,1,0,0,0,0|1,0,2]=4 56 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [0,1,0,0,0,0|1,0,2]=4 57 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,1,0,0,0,0|0,0,0]=1 58 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,0,0,1,0,0|1,0,2]=4 59 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,0,0,1,0,0|1,0,2]=4 60 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,0,0,1,0,0|1,0,1]=3 61 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,0,0,1,0,0|0,0,2]=3 62 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,0,0,1,0,0|1,0,2]=4 63 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,0,0,1,0,0|1,0,2]=4 64 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,0,0,1,0,0|1,0,2]=4 65 B9R1.21 CCC1=CN=C(S1)CC CNP0055349.0 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.21 CCC1=CNC(=C1)C=O CNP0109135.0 [0,0,0,1,0,0|1,0,2]=4 67 B9R1.21 CCC1=CSC(=N1)CC CNP0002533.0 [0,0,0,1,0,0|1,1,1]=4 68 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,0,0,1,0,0|2,0,1]=4 69 B6R0.1 C=C(CO)CCO CNP0082069.0 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [2,0,0,0,0,0|0,0,1]=3 71 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.1 CC=C(C)CSC CNP0003230.0 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.1 CC=CC(=CC)C CNP0535908.0 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|0,0,1]=3 76 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,0]=3 78 B6R0.1 CCC=C(C)C=O CNP0245615.0 [2,0,0,0,0,0|0,0,0]=2 79 B6R0.1 CCC=C(C)CO CNP0511576.0 [2,0,0,0,0,0|0,0,2]=4 80 B6R0.1 CCCC(=NO)C CNP0211014.0 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,0]=2 84 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [2,0,0,0,0,0|0,0,1]=3 88 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|0,0,2]=4 89 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [2,0,0,0,0,0|0,0,2]=4 90 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|0,0,2]=4 91 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [2,0,0,0,0,0|0,0,2]=4 92 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.1 CCOC(=O)CI CNP0158474.0 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.1 O=CC(=O)CCO CNP0294743.0 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.4 CC(=CCCN)C CNP0568876.0 [2,0,0,0,0,0|1,0,1]=4 105 B6R0.4 CC(=CCCO)C CNP0410779.0 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|0,0,1]=3 113 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,1]=3 115 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,1]=3 116 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.4 COCC=C(C)C CNP0493784.0 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.6 C=CC=CCCC CNP0526826.0 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.6 CC=CC=CC=O CNP0182801.0 [2,0,0,0,0,0|0,0,2]=4 127 B6R0.6 CC=CC=CCC CNP0608489.0 [2,0,0,0,0,0|0,0,2]=4 128 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,2]=4 129 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.6 CCC=C=CC=O CNP0611366.0 [2,0,0,0,0,0|0,0,2]=4 131 B6R0.6 CCC=C=CCC CNP0518397.0 [2,0,0,0,0,0|0,0,2]=4 132 B6R0.6 CCC=CCC#N CNP0106706.0 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|0,0,2]=4 134 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,0]=2 135 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|0,0,0]=2 137 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.6 CCCC=CNO CNP0162409.0 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,2]=4 140 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,2]=4 141 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,2]=4 142 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.6 CCCSSCC CNP0322971.0 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.9 CC=C(C=O)CC CNP0086295.0 [2,0,0,0,0,0|0,0,0]=2 148 B6R0.9 CC=C(CC)CC CNP0246886.0 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.9 CC=C(CC)CO CNP0059417.0 [2,0,0,0,0,0|0,0,2]=4 150 B6R0.9 CCC(C=O)CC CNP0353251.0 [2,0,0,0,0,0|0,0,1]=3 151 B6R0.9 CCN(CC)N=O CNP0419123.0 [2,0,0,0,0,0|2,0,0]=4 152 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,1,0,0,0,0|0,0,2]=4 153 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|0,0,1]=3 155 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,1,0,0,0,0|0,0,1]=3 156 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [1,1,0,0,0,0|2,0,0]=4 161 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [1,1,0,0,0,0|0,0,1]=3 162 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|0,0,0]=2 163 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [1,1,0,0,0,0|0,0,2]=4 164 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|0,0,1]=3 165 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|0,0,1]=3 166 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,1,0,0,0,0|1,0,0]=3 168 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [1,1,0,0,0,0|1,0,1]=4 169 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,1,0,0,0,0|0,0,0]=2 171 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [1,1,0,0,0,0|0,0,0]=2 173 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|0,0,1]=3 174 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,1,0,0,0,0|1,0,1]=4 176 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,1,0,0,0,0|1,0,1]=4 177 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|0,0,1]=3 178 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [1,1,0,0,0,0|1,0,1]=4 180 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,1,0,0,0,0|1,0,1]=4 181 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [1,1,0,0,0,0|0,0,2]=4 183 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [1,1,0,0,0,0|0,0,0]=2 184 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [1,1,0,0,0,0|0,0,0]=2 185 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|0,0,2]=4 186 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|1,0,1]=4 187 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|0,0,1]=3 188 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|0,0,1]=3 189 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|0,0,1]=3 190 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,1,0,0,0,0|0,0,2]=4 191 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [1,1,0,0,0,0|1,0,0]=3 192 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [1,1,0,0,0,0|0,0,2]=4 193 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|0,0,2]=4 194 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|0,0,1]=3 195 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|0,0,1]=3 196 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|1,0,0]=3 197 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [1,1,0,0,0,0|0,0,2]=4 200 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [1,1,0,0,0,0|1,0,1]=4 201 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,1,0,0,0,0|0,0,1]=3 202 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|0,0,1]=3 203 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|0,0,1]=3 204 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|1,0,0]=3 206 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|1,0,1]=4 207 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|1,0,1]=4 208 B8R0.25 CCCCC(C)(C)C=O CNP0548345.0 [1,1,0,0,0,0|0,0,2]=4 209 B8R0.15 C=C(C)C(=CCC)CC CNP0487408.0 [1,1,0,0,0,0|1,0,0]=3 210 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [1,1,0,0,0,0|0,0,2]=4 211 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [1,1,0,0,0,0|2,0,0]=4 212 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [1,1,0,0,0,0|1,0,1]=4 213 B8R0.15 CCNC(C=O)C(C)C CNP0584260.0 [1,1,0,0,0,0|1,0,1]=4 214 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [1,1,0,0,0,0|0,0,0]=2 215 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [1,1,0,0,0,0|1,0,1]=4 216 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [1,1,0,0,0,0|1,0,1]=4 217 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [1,1,0,0,0,0|1,0,0]=3 218 B10R0.84 CC(C)CC=C(C=O)C(C)C CNP0259933.0 [0,2,0,0,0,0|0,0,0]=2 219 B10R0.85 CCCC[C@@H](CC)C(=O)OC CNP0295957.1 [0,2,0,0,0,0|0,0,2]=4 220 B10R0.86 CCCCCC(=C(C)C)CC CNP0525945.0 [0,2,0,0,0,0|1,0,1]=4 221 B10R0.86 CCCCCC(CC)C(=O)O CNP0026234.0 [0,2,0,0,0,0|0,0,2]=4 222 B10R0.101 CCCC(O)C(CC)C(=O)O CNP0481331.0 [0,2,0,0,0,0|0,0,2]=4 223 B10R0.20 CCCC(=NO)C(=NO)CC CNP0143115.0 [0,2,0,0,0,0|1,0,1]=4 224 B10R0.16 CCCCC(C=O)CCCC CNP0136450.0 [0,2,0,0,0,0|0,0,2]=4 225 B10R0.16 CCCCN(C=O)CCCC CNP0611669.0 [0,2,0,0,0,0|1,0,1]=4 226 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [0,2,0,0,0,0|0,0,0]=2 227 B10R0.24 CSCCC=C(C=O)CSC CNP0002763.0 [0,2,0,0,0,0|0,0,0]=2 228 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,1,0,0|0,0,1]=3 229 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|1,0,1]=4 232 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [1,0,0,1,0,0|1,0,0]=3 240 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|0,0,1]=3 241 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [1,0,0,1,0,0|0,0,2]=4 243 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,0,0,1,0,0|0,0,0]=2 244 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,0,0,1,0,0|0,0,2]=4 245 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,0,0,1,0,0|0,0,2]=4 247 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|0,0,1]=3 248 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|0,0,1]=3 251 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [1,0,0,1,0,0|0,0,2]=4 252 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,0,0,1,0,0|1,0,0]=3 253 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|0,0,1]=3 254 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|1,0,1]=4 260 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|0,0,1]=3 263 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [1,0,0,1,0,0|0,0,2]=4 268 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [1,0,0,1,0,0|0,0,0]=2 271 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [1,0,0,1,0,0|0,0,0]=2 272 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [1,0,0,1,0,0|0,0,2]=4 273 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|1,0,0]=3 278 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [1,0,0,1,0,0|1,0,0]=3 280 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|1,0,1]=4 282 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [1,0,0,1,0,0|1,0,1]=4 283 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,1,0,0|1,0,0]=3 284 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [1,0,0,1,0,0|0,0,0]=2 285 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,1,0,0|0,0,1]=3 286 B8R1.11 CCC1SCCC1=O CNP0185206.0 [1,0,0,1,0,0|1,0,1]=4 287 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,0,0,1,0,0|1,0,1]=4 288 B8R1.11 COC1=CCOC1=O CNP0235181.0 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [1,0,0,1,0,0|2,0,0]=4 290 B10R1.13 C=C(C)C1=CC[C@@H](CC1)C CNP0206542.2 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.13 C=C(C)C1=CC[C@H](CC1)C CNP0206542.1 [0,1,0,1,0,0|1,0,0]=3 292 B10R1.13 CC(=C1C=C[C@@H](CC1)C)C CNP0405385.2 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.13 CC(=C1C=C[C@H](CC1)C)C CNP0405385.1 [0,1,0,1,0,0|1,0,1]=4 294 B10R1.13 CC(=C1CCC(CC1)C)C CNP0245988.0 [0,1,0,1,0,0|1,0,1]=4 295 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,1,0,1,0,0|0,0,2]=4 296 B10R1.13 CC(=O)C1=CC[C@H](CC1)O CNP0282995.1 [0,1,0,1,0,0|1,0,0]=3 297 B10R1.13 CC(=O)[C@H]1C=C[C@@H](CC1)C CNP0155762.1 [0,1,0,1,0,0|0,0,2]=4 298 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [0,1,0,1,0,0|1,0,0]=3 299 B10R1.13 CC(C)C1=CC[C@@H](CC1)C CNP0287005.1 [0,1,0,1,0,0|1,0,1]=4 300 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.13 CC(C)C1=CC[C@H](CC1)C CNP0287005.2 [0,1,0,1,0,0|1,0,1]=4 302 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,1,0,1,0,0|0,0,2]=4 303 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,2]=4 304 B10R1.38 CC1(CCCCC1C=O)C CNP0462462.0 [0,1,0,1,0,0|0,0,2]=4 305 B10R1.61 CC(=C1CCCCC1=O)C CNP0262850.0 [0,1,0,1,0,0|0,0,2]=4 306 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,1,0,1,0,0|0,0,2]=4 307 B10R1.61 CC1=C(NCCC1)C(C)C CNP0344848.0 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.61 CC1=C(SCCC1)C(C)C CNP0344856.0 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.194 CC(C)C1=CCC(C1=O)C CNP0116593.0 [0,1,0,1,0,0|0,0,0]=2 310 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,1,0,1,0,0|0,0,2]=4 311 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,1,0,1,0,0|1,0,1]=4 313 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,1,0,1,0,0|0,0,0]=2 314 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [0,1,0,1,0,0|1,0,1]=4 315 B10R1.5 CCCC1=C(N=CS1)CC CNP0002550.0 [0,1,0,1,0,0|0,1,0]=3 316 B10R1.245 N=CC1=C(CCCC1=O)O CNP0451959.0 [0,1,0,1,0,0|1,0,1]=4 317 B10R1.256 COC1=C(O[C@@H](C1=O)C)C CNP0239878.1 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.258 CCC1OC=C(C1=O)CO CNP0001520.0 [0,1,0,1,0,0|1,0,0]=3 319 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,1,0,1,0,0|0,0,2]=4 320 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,1,0,0|0,0,2]=4 321 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,1,0,0|0,0,2]=4 322 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [0,1,0,1,0,0|1,0,1]=4 323 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [0,1,0,1,0,0|1,0,1]=4 324 B10R1.20 O=CN1CCCCC1CO CNP0303118.0 [0,1,0,1,0,0|1,0,1]=4 325 B10R1.96 CCCC1=CSC(=N1)CC CNP0002531.0 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.96 CCCC1=NC(=CS1)CC CNP0006135.0 [0,1,0,1,0,0|0,1,0]=3 327 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,1,0,1,0,0|1,0,1]=4 328 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [0,1,0,1,0,0|1,0,1]=4 329 B10R1.3 CCC1=CN=C(C=N1)CC CNP0205141.0 [0,1,0,1,0,0|1,0,1]=4 330 B10R2.62 O=C1CC2C=CC1CC2 CNP0334741.0 [0,0,0,2,0,0|0,0,2]=4