0 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,0,0,0,0,0|0,0,2]=2 8 B9R0.48 CCOC(=O)C=CN(C)C CNP0336666.0 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,0,0,0,0,0|0,0,0]=0 13 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,0,0,0,0,0|2,1,1]=4 16 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,0,0,0,0,0|0,0,0]=1 21 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,0,0,0,0,0|1,0,0]=2 27 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [1,0,0,0,0,0|0,0,3]=4 39 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [1,0,0,0,0,0|0,0,2]=3 41 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,0,0,0,0,0|1,0,1]=3 42 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,0,0,0,0,0|0,0,0]=1 44 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,0,0,0,0,0|1,0,0]=2 45 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,0,0,0,0,0|1,0,0]=2 47 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [1,0,0,0,0,0|1,0,1]=3 48 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [1,0,0,0,0,0|0,0,2]=3 50 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,0,0,0,0,0|0,0,0]=1 55 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,0,0,0,0,0|0,1,0]=2 57 B10R0.26 CCOC(=O)C=C(C)C(C)C CNP0344485.0 [0,1,0,0,0,0|0,0,2]=3 58 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,1,0,0,0,0|2,0,1]=4 59 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,1,0,0,0,0|2,0,1]=4 60 B10R0.27 CCCC(CC)CCC(C)C CNP0482853.0 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,1,0,0,0,0|0,0,0]=1 62 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,1,0,0,0,0|0,0,0]=1 63 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,1,0,0,0,0|1,0,0]=2 64 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,1,0,0,0,0|2,0,1]=4 65 B10R0.57 CC=C(C)C(=O)NCC(C)C CNP0353529.0 [0,1,0,0,0,0|2,0,1]=4 66 B10R0.57 CC=C(C)C(=O)OCC(C)C CNP0164553.0 [0,1,0,0,0,0|2,0,1]=4 67 B10R0.57 CCC(C)C(=O)OCC(C)C CNP0380651.0 [0,1,0,0,0,0|2,0,0]=3 68 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,1,0,0,0,0|1,0,2]=4 69 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,1,0,0,0,0|2,0,0]=3 70 B10R0.78 CCCCC(C)CCC(C)C CNP0561617.0 [0,1,0,0,0,0|2,0,1]=4 71 B10R0.78 CCCC[C@H](O)CCC(C)C CNP0214806.1 [0,1,0,0,0,0|1,0,2]=4 72 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,1,0,0,0,0|1,0,1]=3 73 B10R0.96 CC(=O)CC(=O)OCC(C)C CNP0066978.0 [0,1,0,0,0,0|2,0,1]=4 74 B10R0.96 CC(C)C=CC(=O)CC(C)C CNP0168890.0 [0,1,0,0,0,0|1,0,2]=4 75 B10R0.96 CC(C)CNC(=O)CC(C)C CNP0439722.0 [0,1,0,0,0,0|2,0,0]=3 76 B10R0.96 CC(C)COC(=O)CC(C)C CNP0361085.0 [0,1,0,0,0,0|2,0,0]=3 77 B10R0.96 CC(C)OC(=O)CCC(=O)O CNP0547700.0 [0,1,0,0,0,0|2,0,1]=4 78 B10R0.105 CCO[P@](=O)(O)CCN(C)C CNP0139534.1 [0,1,0,0,0,0|2,0,0]=3 79 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,1,0,0,0,0|2,0,0]=3 80 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,1,0,0,0,0|3,0,0]=4 81 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,1,0,0,0,0|3,0,0]=4 82 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,1,0,0,0,0|1,0,2]=4 83 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,1,0,0,0,0|2,0,1]=4 84 B10R0.109 CCOC(=O)CCS(=O)(=O)C CNP0414710.0 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.1 CON=C1CCC(CC1)C CNP0492431.0 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,0,0,1,0,0|2,0,1]=4 87 B10R1.59 CC(C)C1=CC(=O)O[C@H]1C CNP0132158.1 [0,0,0,1,0,0|0,0,2]=3 88 B10R1.63 CC1=C[C@H](C(CC1)(C)C)O CNP0097325.1 [0,0,0,1,0,0|3,0,0]=4 89 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,0,0,1,0,0|2,0,1]=4 90 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,0,0,1,0,0|2,0,0]=3 91 B10R1.107 CC(=O)N[C@@H]1C(=O)O[C@@H]1C CNP0213056.1 [0,0,0,1,0,0|2,0,1]=4 92 B10R1.107 CC(=O)N[C@H]1C(=O)O[C@H]1C CNP0213056.2 [0,0,0,1,0,0|2,0,1]=4 93 B10R1.113 CC(C)C1=CC(=O)OCC1 CNP0611279.0 [0,0,0,1,0,0|0,0,2]=3 94 B10R1.113 CC(C)[C@@H]1CCC[C@@H](C1)C CNP0112809.1 [0,0,0,1,0,0|2,0,1]=4 95 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,0,0,1,0,0|1,0,2]=4 96 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,0,0,0,1,0|1,0,2]=4 97 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,0,0,0,1,0|2,0,1]=4 98 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,0,0,0,1,0|1,0,0]=2 99 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,0,0,0,1,0|2,0,0]=3 100 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,0,0,0,1,0|2,0,1]=4 101 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,0,0,0,1,0|0,0,2]=3 102 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,0,0,0,1,0|1,0,1]=3 103 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,0,0,0,1,0|2,0,1]=4 104 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,0,0,0,1,0|2,0,1]=4 105 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,0,0,0,1,0|0,0,0]=1 106 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,0,0,0,1,0|1,0,0]=2 107 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,0,0,0,1,0|1,0,0]=2 108 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,0,0,0,1,0|1,0,0]=2 109 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,0,0,0,1,0|1,0,0]=2 110 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,0,0,0,1,0|1,0,0]=2 111 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,0,0,0,1,0|1,0,0]=2 112 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [0,0,0,0,1,0|1,2,0]=4 113 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,0,0,0,0,1|1,0,2]=4 114 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,0,0,0,0,1|3,0,0]=4 115 B10R0.3 CC(=CCO)CCCC(C)C CNP0076235.0 [0,0,0,0,0,1|3,0,0]=4 116 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,0,0,0,0,1|1,0,0]=2 117 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,0,0,0,0,1|2,0,1]=4 118 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,0,0,0,0,1|1,0,1]=3 119 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,0,0,0,0,1|1,0,1]=3 120 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,0,0,0,0,1|0,0,0]=1 121 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,0,0,0,0,1|1,0,0]=2 122 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,0,0,0,0,1|2,0,0]=3 123 B7R0.1 CCC#CCCCC CNP0602501.0 [2,0,0,0,0,0|1,0,1]=4 124 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|1,0,0]=3 125 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.1 CCCC=CCCC CNP0541880.0 [2,0,0,0,0,0|1,0,1]=4 127 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|1,0,1]=4 129 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|0,0,1]=3 130 B7R0.3 C=C(CC)CCCC CNP0084703.0 [2,0,0,0,0,0|1,0,0]=3 131 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [2,0,0,0,0,0|0,0,2]=4 132 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [2,0,0,0,0,0|0,0,2]=4 133 B7R0.3 CCC(=O)CCSC CNP0003468.0 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.3 CCC(=O)OCCO CNP0095595.0 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [2,0,0,0,0,0|0,0,2]=4 136 B7R0.3 CCCC=C(C)CC CNP0263169.0 [2,0,0,0,0,0|1,0,1]=4 137 B7R0.3 CCCCC(=O)CC CNP0286726.0 [2,0,0,0,0,0|0,0,0]=2 138 B7R0.3 CCCCC(=O)OC CNP0184855.0 [2,0,0,0,0,0|0,0,0]=2 139 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [2,0,0,0,0,0|1,0,1]=4 141 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [2,0,0,0,0,0|0,0,2]=4 142 B7R0.3 CCCOC(=O)CC CNP0296678.0 [2,0,0,0,0,0|1,0,0]=3 143 B7R0.3 CCOCC(=O)OC CNP0306071.0 [2,0,0,0,0,0|1,0,0]=3 144 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.3 COC(=O)CCC#N CNP0076214.0 [2,0,0,0,0,0|1,0,1]=4 146 B7R0.3 COC(=O)CCC=O CNP0246367.0 [2,0,0,0,0,0|1,0,1]=4 147 B7R0.3 COC(=O)CCSC CNP0302353.0 [2,0,0,0,0,0|1,0,0]=3 148 B7R0.7 C=C(CCC)CCC CNP0515689.0 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.7 C=C(OCC)OCC CNP0510072.0 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [2,0,0,0,0,0|0,0,2]=4 151 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [2,0,0,0,0,0|1,0,1]=4 152 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [2,0,0,0,0,0|0,0,2]=4 153 B7R0.7 CCC=C(C)CCC CNP0345457.0 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.7 CCCC(=O)CCC CNP0310318.0 [2,0,0,0,0,0|1,0,0]=3 155 B7R0.7 CCCC(=O)OCC CNP0232050.0 [2,0,0,0,0,0|0,0,0]=2 156 B7R0.7 CCCC(=S)OCC CNP0612025.0 [2,0,0,0,0,0|0,1,0]=3 157 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [2,0,0,0,0,0|1,0,1]=4 158 B7R0.7 CCOC(=O)CCS CNP0347470.0 [2,0,0,0,0,0|1,0,0]=3 159 B7R0.7 CCOC(=O)CNC CNP0575591.0 [2,0,0,0,0,0|1,0,0]=3 160 B7R0.7 CCOC(=O)CSC CNP0330528.0 [2,0,0,0,0,0|1,0,0]=3 161 B7R0.7 CCOC(=O)OCC CNP0167765.0 [2,0,0,0,0,0|1,0,0]=3 162 B7R0.7 CCOP(=O)OCC CNP0575132.0 [2,0,0,0,0,0|2,0,0]=4 163 B7R0.4 CC(C)CCCCO CNP0497904.0 [2,0,0,0,0,0|1,0,1]=4 164 B7R0.4 CC(C)CCOC=O CNP0324042.0 [2,0,0,0,0,0|1,0,1]=4 165 B7R0.4 CC(C)CCON=O CNP0341686.0 [2,0,0,0,0,0|2,0,0]=4 166 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|1,0,1]=4 167 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|1,0,1]=4 168 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|1,0,1]=4 169 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|0,0,1]=3 170 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [2,0,0,0,0,0|1,0,1]=4 171 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|1,0,1]=4 172 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [2,0,0,0,0,0|1,0,1]=4 173 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [2,0,0,0,0,0|1,0,1]=4 174 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|1,0,1]=4 175 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [2,0,0,0,0,0|1,0,1]=4 176 B7R0.4 CCCNCC(C)C CNP0333564.0 [2,0,0,0,0,0|1,0,1]=4 177 B7R0.4 CCCSCC(C)C CNP0116113.0 [2,0,0,0,0,0|1,0,1]=4 178 B7R0.4 CCNCCC(C)C CNP0184897.0 [2,0,0,0,0,0|1,0,0]=3 179 B7R0.4 CCOCC=C(C)C CNP0002719.0 [2,0,0,0,0,0|0,0,2]=4 180 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|1,0,1]=4 181 B7R0.4 CCOCCC(C)C CNP0032749.0 [2,0,0,0,0,0|0,0,0]=2 182 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [2,0,0,0,0,0|0,0,2]=4 183 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [2,0,0,0,0,0|0,0,2]=4 184 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [2,0,0,0,0,0|0,0,2]=4 185 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [2,0,0,0,0,0|0,0,2]=4 186 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [2,0,0,0,0,0|1,0,1]=4 187 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [2,0,0,0,0,0|1,0,1]=4 188 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [2,0,0,0,0,0|0,0,0]=2 189 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [2,0,0,0,0,0|1,0,0]=3 190 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [2,0,0,0,0,0|1,0,0]=3 191 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [2,0,0,0,0,0|1,0,0]=3 192 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [2,0,0,0,0,0|0,0,2]=4 193 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [2,0,0,0,0,0|1,0,0]=3 194 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [2,0,0,0,0,0|1,0,0]=3 195 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [2,0,0,0,0,0|0,0,0]=2 196 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [2,0,0,0,0,0|1,0,1]=4 197 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [2,0,0,0,0,0|1,0,0]=3 198 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [2,0,0,0,0,0|1,0,0]=3 199 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [2,0,0,0,0,0|1,0,1]=4 200 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [2,0,0,0,0,0|1,0,0]=3 201 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [2,0,0,0,0,0|1,0,0]=3 202 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [2,0,0,0,0,0|1,0,1]=4 203 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [2,0,0,0,0,0|1,0,1]=4 204 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [2,0,0,0,0,0|2,0,0]=4 205 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [2,0,0,0,0,0|1,0,0]=3 206 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [1,1,0,0,0,0|1,0,1]=4 207 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|1,0,1]=4 208 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [1,1,0,0,0,0|0,0,0]=2 209 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [1,1,0,0,0,0|2,0,0]=4 210 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [1,1,0,0,0,0|0,0,1]=3 211 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [1,1,0,0,0,0|0,0,2]=4 212 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,1,0,0,0,0|1,0,1]=4 213 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [1,1,0,0,0,0|1,0,1]=4 214 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,1,0,0,0,0|1,0,1]=4 215 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [1,1,0,0,0,0|0,0,1]=3 216 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,1,0,0,0,0|1,0,1]=4 217 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [1,1,0,0,0,0|0,0,1]=3 218 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,1,0,0,0,0|1,0,0]=3 219 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [1,1,0,0,0,0|2,0,0]=4 220 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,1,0,0,0,0|0,0,0]=2 221 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [1,1,0,0,0,0|1,0,0]=3 222 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [1,1,0,0,0,0|1,0,1]=4 223 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [1,1,0,0,0,0|0,0,1]=3 224 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [1,1,0,0,0,0|0,0,0]=2 225 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [1,1,0,0,0,0|2,0,0]=4 226 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [1,1,0,0,0,0|2,0,0]=4 227 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [1,1,0,0,0,0|0,0,1]=3 228 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [1,1,0,0,0,0|1,0,0]=3 229 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [1,1,0,0,0,0|0,0,0]=2 230 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [1,1,0,0,0,0|2,0,0]=4 231 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [1,1,0,0,0,0|2,0,0]=4 232 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [1,1,0,0,0,0|2,0,0]=4 233 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [1,1,0,0,0,0|1,0,0]=3 234 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [1,1,0,0,0,0|0,0,0]=2 235 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [1,1,0,0,0,0|0,0,0]=2 236 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [1,1,0,0,0,0|0,0,2]=4 237 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [1,1,0,0,0,0|0,0,2]=4 238 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [1,1,0,0,0,0|0,0,2]=4 239 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [1,1,0,0,0,0|1,0,1]=4 240 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [1,1,0,0,0,0|1,0,0]=3 241 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [1,1,0,0,0,0|0,0,0]=2 242 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [1,1,0,0,0,0|1,0,1]=4 243 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [1,1,0,0,0,0|2,0,0]=4 244 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [1,1,0,0,0,0|1,0,1]=4 245 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [1,1,0,0,0,0|2,0,0]=4 246 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [1,1,0,0,0,0|1,0,1]=4 247 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,1,0,0,0,0|1,0,1]=4 248 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [1,1,0,0,0,0|1,0,1]=4 249 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,1,0,0,0,0|1,0,1]=4 250 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,1,0,0,0,0|1,0,1]=4 251 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [1,1,0,0,0,0|1,0,1]=4 252 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [1,1,0,0,0,0|1,0,1]=4 253 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [1,1,0,0,0,0|1,0,1]=4 254 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [1,1,0,0,0,0|1,0,1]=4 255 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [1,1,0,0,0,0|1,0,0]=3 256 B9R0.7 CC(C)COC(=O)[C@@H](N)O CNP0184360.1 [1,1,0,0,0,0|2,0,0]=4 257 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [1,1,0,0,0,0|0,0,0]=2 258 B9R0.21 COC(=O)C=CC(C)(C)C CNP0328379.0 [1,1,0,0,0,0|0,0,2]=4 259 B9R0.21 COC(=O)CCS(=O)(=O)C CNP0017539.0 [1,1,0,0,0,0|2,0,0]=4 260 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [1,1,0,0,0,0|2,0,0]=4 261 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [1,1,0,0,0,0|0,0,1]=3 262 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [1,1,0,0,0,0|0,0,1]=3 263 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [1,1,0,0,0,0|0,0,0]=2 264 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [1,1,0,0,0,0|0,0,0]=2 265 B9R0.23 COC(=O)[C@@H](O)CC(=O)C CNP0113476.2 [1,1,0,0,0,0|1,0,1]=4 266 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [1,1,0,0,0,0|0,0,0]=2 267 B9R0.23 COC(=O)[C@H](O)CC(=O)C CNP0113476.1 [1,1,0,0,0,0|1,0,1]=4 268 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [1,1,0,0,0,0|1,0,1]=4 269 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [1,1,0,0,0,0|0,0,0]=2 270 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [1,1,0,0,0,0|0,0,0]=2 271 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [1,1,0,0,0,0|1,0,0]=3 272 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [1,1,0,0,0,0|0,0,0]=2 273 B9R0.24 CCC(C)CCC(C)CC CNP0597985.0 [1,1,0,0,0,0|1,0,1]=4 274 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [1,1,0,0,0,0|0,0,2]=4 275 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [1,1,0,0,0,0|0,0,2]=4 276 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [1,1,0,0,0,0|1,0,1]=4 277 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [1,1,0,0,0,0|1,0,1]=4 278 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [1,1,0,0,0,0|1,0,1]=4 279 B9R0.42 COC(=O)C=C(C)C(C)C CNP0417930.0 [1,1,0,0,0,0|0,0,2]=4 280 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [1,1,0,0,0,0|1,0,1]=4 281 B9R0.43 CCC(CC)CCC(C)C CNP0312262.0 [1,1,0,0,0,0|1,0,1]=4 282 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,1,0,0,1,0|1,0,1]=4 283 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,1,0,0,1,0|0,0,1]=3 284 B9R0.6 CCOC(=O)C(=O)N(C)C CNP0355375.0 [0,1,0,0,1,0|1,0,1]=4 285 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,1,0,0,1,0|1,0,1]=4 286 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,1,0,0,1,0|1,0,0]=3 287 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,1,0,0,1,0|0,0,0]=2 288 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,1,0,0,1,0|0,0,0]=2 289 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [0,1,0,0,1,0|0,0,0]=2 290 B9R0.53 CC(=CC(=O)OC(C)C)C CNP0228790.0 [0,1,0,0,1,0|0,0,2]=4 291 B9R0.53 CC(C)CC(=O)CC(C)C CNP0084478.0 [0,1,0,0,1,0|1,0,0]=3 292 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,1,0,0,1,0|0,0,0]=2 293 B9R0.53 CC(C)CC(=O)SC(C)C CNP0159406.0 [0,1,0,0,1,0|0,1,0]=3 294 B9R0.53 CC(C)NC(=O)NC(C)C CNP0313716.0 [0,1,0,0,1,0|2,0,0]=4 295 B9R0.53 CC(C)OP(=O)OC(C)C CNP0511332.0 [0,1,0,0,1,0|2,0,0]=4 296 B11R0.1 CCOC(=O)C[C@@H](C)NC(=O)C CNP0207369.1 [0,1,0,0,0,1|1,0,1]=4 297 B11R0.6 CC(=CC(=O)OCCC(C)C)C CNP0302991.0 [0,1,0,0,0,1|1,0,1]=4 298 B11R0.6 CC(=O)CC(=O)OCCC(C)C CNP0002893.0 [0,1,0,0,0,1|1,0,1]=4 299 B11R0.6 CC(C)CCOC(=O)CC(C)C CNP0335578.0 [0,1,0,0,0,1|1,0,0]=3 300 B11R0.59 CCOC(=O)[C@@H](N)CSC(=O)C CNP0029965.1 [0,1,0,0,0,1|1,0,1]=4 301 B11R0.145 CC=C(C)C(=O)OCCC(C)C CNP0234140.0 [0,1,0,0,0,1|1,0,1]=4 302 B11R0.145 CC[C@@H](C)C(=O)OCCC(C)C CNP0330262.1 [0,1,0,0,0,1|1,0,0]=3 303 B11R0.147 CCCCC(=O)OCCC(C)C CNP0141436.0 [0,1,0,0,0,1|1,0,0]=3 304 B11R0.174 CCCC(=O)OCCC(C)CC CNP0235877.0 [0,1,0,0,0,1|1,0,0]=3 305 B11R0.180 CCCC(=O)OCC[N+](C)(C)C CNP0549253.0 [0,1,0,0,0,1|2,0,0]=4 306 B11R0.180 CCCC(=O)OCC[N+](C)(C)C CNP0602327.0 [0,1,0,0,0,1|2,0,0]=4 307 B11R0.180 CCCC(=O)SCC[N+](C)(C)C CNP0516061.0 [0,1,0,0,0,1|2,0,0]=4 308 B11R0.180 CCOC(=O)CCC[N+](C)(C)C CNP0063315.0 [0,1,0,0,0,1|1,0,0]=3 309 B11R0.10 CCOC(=O)CC(C)(C)C(C)C CNP0525560.0 [0,2,0,0,0,0|0,0,0]=2 310 B11R0.54 CCOC(=O)CC(=O)C(C)(C)C CNP0542395.0 [0,2,0,0,0,0|0,0,1]=3 311 B11R0.187 C=C(CO)[C@@H](O)CC(=O)OCC CNP0227038.1 [0,2,0,0,0,0|0,0,2]=4 312 B11R0.187 C=C(CO)[C@H](O)CC(=O)OCC CNP0227038.2 [0,2,0,0,0,0|0,0,2]=4 313 B11R0.187 CCOC(=O)CC(O)C(=O)OC CNP0340722.0 [0,2,0,0,0,0|1,0,1]=4 314 B11R0.120 CC[C@@H](C)COC(=O)[C@H](C)CC CNP0303745.3 [0,2,0,0,0,0|2,0,0]=4 315 B11R0.120 CC[C@H](C)COC(=O)[C@@H](C)CC CNP0303745.2 [0,2,0,0,0,0|2,0,0]=4 316 B11R0.120 CC[C@H](C)COC(=O)[C@H](C)CC CNP0303745.1 [0,2,0,0,0,0|2,0,0]=4 317 B11R0.173 C=C(C(=O)OCC(C)C)[C@H](C)O CNP0245301.1 [0,2,0,0,0,0|2,0,0]=4 318 B11R0.46 CCCCCC(=O)NCC(C)C CNP0299314.0 [0,2,0,0,0,0|2,0,0]=4 319 B11R0.46 CCCCCC(=O)OCC(C)C CNP0258306.0 [0,2,0,0,0,0|2,0,0]=4 320 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [0,2,0,0,0,0|1,0,1]=4 321 B11R0.70 CCCCC(=O)OCC(C)CC CNP0444894.0 [0,2,0,0,0,0|2,0,0]=4 322 B11R0.82 CCCN=C(C)CCC(C)(C)C CNP0345320.0 [0,2,0,0,0,0|2,0,0]=4 323 B11R0.85 CC(C)CNC(=O)NCC(C)C CNP0570666.0 [0,2,0,0,0,0|2,0,0]=4 324 B11R0.93 CSC(C)CC(=O)OCC(C)C CNP0003257.0 [0,2,0,0,0,0|2,0,0]=4 325 B11R0.107 CCC(C)COC(=O)CC(C)C CNP0079769.0 [0,2,0,0,0,0|2,0,0]=4 326 B11R0.9 CCOC(=O)CCC(OC)OC CNP0278348.0 [0,2,0,0,0,0|0,0,0]=2 327 B11R0.62 CCOC(=O)CCC(=O)OCC CNP0115480.0 [0,2,0,0,0,0|1,0,1]=4 328 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,1,0,0|2,0,0]=4 329 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [1,0,0,1,0,0|2,0,0]=4 330 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [1,0,0,1,0,0|2,0,0]=4 331 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,1,0,0|2,0,0]=4 332 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,1,0,0|1,0,1]=4 333 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|1,0,0]=3 334 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|2,0,0]=4 335 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|2,0,0]=4 336 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [1,0,0,1,0,0|2,0,0]=4 337 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [1,0,0,1,0,0|1,0,1]=4 338 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [1,0,0,1,0,0|2,0,0]=4 339 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [1,0,0,1,0,0|2,0,0]=4 340 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [1,0,0,1,0,0|2,0,0]=4 341 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|1,0,0]=3 342 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|0,0,0]=2 343 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [1,0,0,1,0,0|1,0,1]=4 344 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [1,0,0,1,0,0|2,0,0]=4 345 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|1,0,0]=3 346 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [1,0,0,1,0,0|0,0,2]=4 347 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [1,0,0,1,0,0|0,0,0]=2 348 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [1,0,0,1,0,0|0,0,0]=2 349 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [1,0,0,1,0,0|1,0,0]=3 350 B9R1.6 CC(C)C1CC=CCC1 CNP0550039.0 [1,0,0,1,0,0|1,0,0]=3 351 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [1,0,0,1,0,0|1,0,1]=4 352 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [1,0,0,1,0,0|1,0,1]=4 353 B9R1.16 CCCCCC1CC1C CNP0611992.0 [1,0,0,1,0,0|1,0,1]=4 354 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [1,0,0,1,0,0|1,0,1]=4 355 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [1,0,0,1,0,0|1,0,1]=4 356 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [1,0,0,1,0,0|1,0,1]=4 357 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [1,0,0,1,0,0|0,0,2]=4 358 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [1,0,0,1,0,0|0,0,2]=4 359 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [1,0,0,1,0,0|1,0,0]=3 360 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [1,0,0,1,0,0|1,0,0]=3 361 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [1,0,0,1,0,0|1,0,0]=3 362 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [1,0,0,1,0,0|2,0,0]=4 363 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [1,0,0,1,0,0|2,0,0]=4 364 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [1,0,0,1,0,0|2,0,0]=4 365 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [1,0,0,1,0,0|2,0,0]=4 366 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [1,0,0,1,0,0|1,0,1]=4 367 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [1,0,0,1,0,0|1,0,0]=3 368 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [1,0,0,1,0,0|1,0,0]=3 369 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,0,0,1,1,0|1,0,1]=4 370 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,0,0,1,1,0|1,1,0]=4 371 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,0,0,1,1,0|1,1,0]=4 372 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,0,0,1,1,0|1,0,0]=3 373 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,0,0,1,1,0|1,0,0]=3 374 B9R1.38 CC1=CC(=O)CC1(C)C CNP0611990.0 [0,0,0,1,1,0|1,0,1]=4 375 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,0,0,1,1,0|1,0,0]=3 376 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,0,0,1,1,0|1,0,0]=3 377 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,0,0,1,0,1|2,0,0]=4 378 B11R1.1251 CCO[P@@]1(=O)CCC[C@@H](C1)C CNP0060412.1 [0,0,0,1,0,1|1,0,0]=3 379 B11R1.1251 CCO[P@@]1(=O)CCC[C@H](C1)C CNP0060412.2 [0,0,0,1,0,1|1,0,0]=3 380 B11R1.1251 CCO[P@]1(=O)CCC[C@@H](C1)C CNP0060412.3 [0,0,0,1,0,1|1,0,0]=3 381 B11R1.1251 CCO[P@]1(=O)CCC[C@H](C1)C CNP0060412.4 [0,0,0,1,0,1|1,0,0]=3 382 B11R1.74 CC1=CC(=O)CC(C1)C(C)C CNP0270583.0 [0,1,0,1,0,0|1,0,1]=4 383 B11R1.91 CC(C)CCC1=CCCCC1 CNP0076495.0 [0,1,0,1,0,0|2,0,0]=4 384 B11R1.21 C=C1CC[C@@H](CC1=O)C(C)C CNP0243861.1 [0,1,0,1,0,0|1,0,0]=3 385 B11R1.21 CC(C)[C@H]1CC[C@@H](C(=O)C1)C CNP0191922.1 [0,1,0,1,0,0|1,0,0]=3 386 B11R1.21 CC(C)[C@H]1CC[C@H](C(=O)C1)C CNP0191922.2 [0,1,0,1,0,0|1,0,0]=3 387 B11R1.21 CC1=CC[C@@H](CC1=O)C(C)C CNP0402519.1 [0,1,0,1,0,0|1,0,1]=4 388 B11R1.21 CC1=CC[C@H](CC1=O)C(C)C CNP0402519.2 [0,1,0,1,0,0|1,0,1]=4 389 B11R1.672 CC1=C(C(=O)C[C@H]1C(C)C)O CNP0213137.1 [0,1,0,1,0,0|1,0,1]=4 390 B11R1.489 C[C@@H](O)[C@H]1CC(=O)OC1(C)C CNP0285624.1 [0,1,0,1,0,0|1,0,0]=3 391 B11R1.1040 C[C@@H](O)[C@@H]1C(=O)OCC1(C)C CNP0546702.1 [0,1,0,1,0,0|2,0,0]=4 392 B11R1.155 CC1=CCC[C@H](C1)C(C)(C)O CNP0118185.1 [0,1,0,1,0,0|2,0,0]=4 393 B11R2.89 COOC1=CC2C(C2C1)C CNP0368255.0 [0,0,0,2,0,0|2,0,0]=4 394 B11R2.126 C[C@@]12CCC(=O)N1CCN2 CNP0399006.2 [0,0,0,2,0,0|2,0,0]=4 395 B11R2.126 C[C@]12CCC(=O)N1CCN2 CNP0399006.1 [0,0,0,2,0,0|2,0,0]=4 396 B11R2.126 O=C1CC[C@]2(N1CCC2)O CNP0311106.1 [0,0,0,2,0,0|2,0,0]=4 397 B11R2.732 C=C1C[C@@H]2CC[C@H]1C2(C)C CNP0324529.1 [0,0,0,2,0,0|2,0,0]=4 398 B11R2.732 C=C1C[C@H]2CC[C@@H]1C2(C)C CNP0324529.2 [0,0,0,2,0,0|2,0,0]=4 399 B11R2.613 CC1(C2C1C(=O)OC2=O)C CNP0557394.0 [0,0,0,2,0,0|1,0,1]=4 400 B11R2.418 C=C1C[C@@H]2C[C@H](C1)C2(C)C CNP0581615.2 [0,0,0,2,0,0|2,0,0]=4 401 B11R2.418 C=C1C[C@H]2C[C@H](C1)C2(C)C CNP0581615.1 [0,0,0,2,0,0|2,0,0]=4 402 B11R2.418 CC1=C[C@@H]2C[C@H](C1)C2(C)C CNP0136632.2 [0,0,0,2,0,0|2,0,0]=4 403 B11R2.418 CC1=C[C@H]2C[C@@H](C1)C2(C)C CNP0136632.1 [0,0,0,2,0,0|2,0,0]=4 404 B11R2.684 C=C1C[C@@H]2C[C@H]1CC2(C)C CNP0266797.2 [0,0,0,2,0,0|2,0,0]=4 405 B11R2.684 C=C1C[C@H]2C[C@@H]1CC2(C)C CNP0266797.1 [0,0,0,2,0,0|2,0,0]=4 406 B11R2.684 CC1=C[C@H]2C[C@@H]1CC2(C)C CNP0132888.1 [0,0,0,2,0,0|2,0,0]=4 407 B11R2.39 C=C1CC[C@H]2[C@@H](C1)C2(C)C CNP0102898.1 [0,0,0,2,0,0|2,0,0]=4 408 B11R2.39 CC1=CC[C@@H]2[C@H](C1)C2(C)C CNP0174002.2 [0,0,0,2,0,0|2,0,0]=4 409 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C CNP0174002.1 [0,0,0,2,0,0|2,0,0]=4 410 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [1,0,0,0,1,0|1,0,1]=4 411 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,0,0,0,1,0|0,0,2]=4 412 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,0,0,0,1,0|0,0,0]=2 413 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,0,0,0,1,0|1,0,0]=3 414 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,0,0,0,1,0|1,0,1]=4 415 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,0,0,0,1,0|0,0,2]=4 416 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,0,0,0,1,0|1,0,1]=4 417 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,0,0,0,1,0|0,0,0]=2 418 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,0,0,0,1,0|1,0,0]=3 419 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,0,0,0,1,0|1,0,0]=3 420 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,0,0,0,1,0|1,0,0]=3 421 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,0,0,0,1,0|1,0,0]=3 422 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,0,0,0,1,0|1,0,0]=3 423 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,0,0,0,1,0|1,0,0]=3 424 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,0,0,0,1,0|0,1,0]=3 425 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,0,0,0,2,0|0,0,2]=4 426 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,0,0,0,2,0|1,0,0]=3 427 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,0,0,0,2,0|2,0,0]=4 428 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,0,0,0,2,0|2,0,0]=4 429 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,0,0,0,2,0|1,0,1]=4 430 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,0,0,0,2,0|2,0,0]=4 431 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,0,0,0,2,0|0,0,0]=2 432 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,0,0,0,2,0|1,0,0]=3 433 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,0,0,0,2,0|2,0,0]=4 434 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,0,0,0,2,0|1,0,0]=3 435 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,0,0,0,2,0|2,0,0]=4 436 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,0,0,0,2,0|2,0,0]=4 437 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,0,0,0,2,0|1,0,0]=3 438 B11R0.176 CCCC(=O)OCCCC(C)C CNP0508013.0 [0,0,0,0,0,2|1,0,0]=3 439 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,0,0,0,0,2|0,0,0]=2 440 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,0,0,0,0,2|1,0,0]=3 441 B11R0.176 CCOC(=O)CCCSC(=O)C CNP0003277.0 [0,0,0,0,0,2|1,0,1]=4