0 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.24 CNC(=O)CNC(=O)CN CNP0047702.0 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.24 COC(=O)C#CC(=O)OC CNP0341643.0 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [0,0,0,0,0,0|0,0,2]=2 7 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.24 COC(=O)NNC(=O)OC CNP0145555.0 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.24 O=C(C=CC(=O)OCl)OCl CNP0202607.0 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,0,0,0,0,0|1,1,1]=4 17 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,0,0,0,0,0|0,1,1]=3 18 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,0,0,0,0,0|0,0,1]=2 19 B8R0.9 C=CC(=O)NCC(=O)O CNP0077507.0 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,0,0,0,0,0|1,0,0]=2 27 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,0,0,0,0,0|1,0,2]=4 30 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [1,0,0,0,0,0|1,0,2]=4 37 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [1,0,0,0,0,0|0,0,2]=3 38 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,0,0,0,0,0|1,0,1]=3 39 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,0,0,0,0,0|0,0,0]=1 40 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [1,0,0,0,0,0|0,0,0]=1 42 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,0,0,0,0,0|1,0,1]=3 43 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [1,0,0,0,0,0|1,0,0]=2 44 B8R0.9 COC(=O)NNC(=O)N CNP0304679.0 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,0,0,0,0,0|1,1,1]=4 46 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.9 O=C(O)CCC(=O)NO CNP0136196.0 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [1,0,0,0,0,0|2,0,0]=3 51 B10R0.46 C=C(CC(=O)OC)C(=O)OC CNP0185173.0 [0,1,0,0,0,0|0,0,1]=2 52 B10R0.46 CCC(=O)OC(C)C(=O)SC CNP0347510.0 [0,1,0,0,0,0|2,1,0]=4 53 B10R0.46 COC(=O)C=C(C)C(=O)OC CNP0198897.0 [0,1,0,0,0,0|0,0,2]=3 54 B10R0.46 COC(=O)CC(=O)C(=O)OC CNP0261519.0 [0,1,0,0,0,0|0,0,1]=2 55 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC CNP0140271.1 [0,1,0,0,0,0|0,0,0]=1 56 B10R0.46 COC(=O)C[C@H](N)C(=O)OC CNP0177660.1 [0,1,0,0,0,0|0,0,0]=1 57 B10R0.46 COC(=O)C[C@H](O)C(=O)OC CNP0140271.2 [0,1,0,0,0,0|0,0,0]=1 58 B10R0.108 C=C(CCBr)CCC(=O)OC CNP0344449.0 [0,1,0,0,0,0|2,0,0]=3 59 B10R0.108 C=CCC(=O)NCC(=O)OC CNP0315997.0 [0,1,0,0,0,0|2,0,1]=4 60 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,1,0,0,0,0|2,0,0]=3 61 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 CNP0187318.1 [0,0,0,1,0,0|3,0,0]=4 63 B10R1.14 COC(=O)[C@@H]1CCC(=N1)O CNP0499878.1 [0,0,0,1,0,0|2,0,1]=4 64 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CNP0373996.2 [0,0,0,1,0,0|2,0,0]=3 65 B10R1.14 COC(=O)[C@@H]1CS[S@@+](C1)[O-] CNP0482624.1 [0,0,0,1,0,0|1,1,1]=4 66 B10R1.14 COC(=O)[C@@H]1CS[S@@H+](C1)[O-] CNP0496688.1 [0,0,0,1,0,0|1,1,1]=4 67 B10R1.14 COC(=O)[C@H]1CCC(=N1)O CNP0499878.2 [0,0,0,1,0,0|2,0,1]=4 68 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CNP0373996.1 [0,0,0,1,0,0|2,0,0]=3 69 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,0,0,1,0,0|3,0,0]=4 70 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,0,0,1,0,0|3,0,0]=4 71 B10R1.197 COC1=CCCC(=O)CC1 CNP0219290.0 [0,0,0,1,0,0|2,0,0]=3 72 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,0,0,0,1,0|2,0,0]=3 73 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,0,0,0,1,0|2,0,1]=4 74 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,0,0,0,1,0|3,0,0]=4 75 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,0,0,0,1,0|2,0,1]=4 76 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,0,0,0,1,0|1,0,2]=4 77 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,0,0,0,1,0|2,0,1]=4 78 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,0,0,0,1,0|2,0,0]=3 79 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,0,0,0,1,0|0,0,0]=1 80 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,0,0,0,1,0|1,1,1]=4 81 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,0,0,0,1,0|1,0,0]=2 82 B10R0.59 COC(=O)CCCC(=O)OC CNP0334682.0 [0,0,0,0,0,1|0,0,0]=1 83 B10R0.59 COC(=O)COCC(=O)OC CNP0414365.0 [0,0,0,0,0,1|0,0,0]=1 84 B7R0.1 CC=CCCC=CC CNP0082120.0 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [2,0,0,0,0,0|0,0,1]=3 86 B7R0.3 CCC(=O)CCSC CNP0003468.0 [2,0,0,0,0,0|1,1,0]=4 87 B7R0.3 CCCCC(=O)CC CNP0286726.0 [2,0,0,0,0,0|1,0,1]=4 88 B7R0.3 CCCCC(=O)OC CNP0184855.0 [2,0,0,0,0,0|0,0,1]=3 89 B7R0.3 CCOCC(=O)OC CNP0306071.0 [2,0,0,0,0,0|1,0,1]=4 90 B7R0.3 COC(=O)CCC#N CNP0076214.0 [2,0,0,0,0,0|1,0,1]=4 91 B7R0.3 COC(=O)CCC=O CNP0246367.0 [2,0,0,0,0,0|0,0,0]=2 92 B7R0.3 COC(=O)CCSC CNP0302353.0 [2,0,0,0,0,0|0,1,0]=3 93 B7R0.3 COC=CC(=O)OC CNP0398712.0 [2,0,0,0,0,0|0,0,1]=3 94 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|1,0,0]=3 96 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [2,0,0,0,0,0|1,0,1]=4 97 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [2,0,0,0,0,0|1,0,1]=4 98 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|1,0,1]=4 99 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|1,0,1]=4 101 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|2,0,0]=4 102 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|2,0,0]=4 103 B7R0.4 CNCCCC(=O)O CNP0216187.0 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|0,0,1]=3 105 B7R0.4 COCCOC(=O)C CNP0278807.0 [2,0,0,0,0,0|1,0,1]=4 106 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [2,0,0,0,0,0|1,0,0]=3 107 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [2,0,0,0,0,0|1,0,1]=4 108 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [2,0,0,0,0,0|0,0,2]=4 109 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [2,0,0,0,0,0|0,0,2]=4 110 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [2,0,0,0,0,0|0,0,0]=2 111 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [2,0,0,0,0,0|0,0,0]=2 112 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [2,0,0,0,0,0|0,0,1]=3 113 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [2,0,0,0,0,0|0,0,1]=3 114 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [2,0,0,0,0,0|1,0,1]=4 115 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [2,0,0,0,0,0|1,0,0]=3 116 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [2,0,0,0,0,0|1,0,0]=3 117 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [2,0,0,0,0,0|2,0,0]=4 119 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [2,0,0,0,0,0|1,0,1]=4 121 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [2,0,0,0,0,0|0,0,2]=4 123 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [2,0,0,0,0,0|1,0,1]=4 126 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [2,0,0,0,0,0|1,0,0]=3 129 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.6 O=C(O)C#CC(=O)O CNP0197927.0 [2,0,0,0,0,0|0,0,2]=4 133 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [2,0,0,0,0,0|0,0,2]=4 134 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [2,0,0,0,0,0|0,0,0]=2 135 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [2,0,0,0,0,0|1,0,1]=4 136 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [2,0,0,0,0,0|0,0,2]=4 138 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [1,1,0,0,0,0|1,0,1]=4 139 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [1,1,0,0,0,0|1,0,1]=4 140 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [1,1,0,0,0,0|1,0,1]=4 141 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [1,1,0,0,0,0|2,0,0]=4 142 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [1,1,0,0,0,0|1,0,1]=4 143 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,1,0,0,0,0|1,0,1]=4 144 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [1,1,0,0,0,0|0,1,1]=4 145 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [1,1,0,0,0,0|1,0,1]=4 146 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [1,1,0,0,0,0|0,1,1]=4 147 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [1,1,0,0,0,0|1,0,1]=4 148 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [1,1,0,0,0,0|1,0,1]=4 149 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [1,1,0,0,0,0|1,0,0]=3 150 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,1,0,0,0,0|1,0,1]=4 151 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [1,1,0,0,0,0|1,0,0]=3 152 B9R0.7 CC(C)C(=O)NCC(=O)O CNP0079797.0 [1,1,0,0,0,0|2,0,0]=4 153 B9R0.7 CC(S)C(=O)NCC(=O)O CNP0492780.0 [1,1,0,0,0,0|2,0,0]=4 154 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O CNP0524494.1 [1,1,0,0,0,0|2,0,0]=4 155 B9R0.7 C[C@@H](O)C(=O)CCC(=O)O CNP0134105.1 [1,1,0,0,0,0|1,0,0]=3 156 B9R0.7 O=C(O)CCC(=O)C(=O)O CNP0115442.0 [1,1,0,0,0,0|2,0,0]=4 157 B9R0.21 COC(=O)CCS(=O)(=O)C CNP0017539.0 [1,1,0,0,0,0|1,0,0]=3 158 B9R0.23 CCC(=O)[C@H](C)NC(=O)C CNP0481788.1 [1,1,0,0,0,0|2,0,0]=4 159 B9R0.23 COC(=O)C(=CC(=O)O)C CNP0215692.0 [1,1,0,0,0,0|0,0,2]=4 160 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [1,1,0,0,0,0|0,0,0]=2 161 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [1,1,0,0,0,0|1,0,1]=4 162 B9R0.23 COC(=O)[C@@H](N)CC(=O)N CNP0041402.1 [1,1,0,0,0,0|1,0,0]=3 163 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [1,1,0,0,0,0|1,0,1]=4 164 B9R0.23 COC(=O)[C@@H](O)CC(=O)C CNP0113476.2 [1,1,0,0,0,0|0,0,0]=2 165 B9R0.23 COC(=O)[C@H](N)CC(=O)N CNP0041402.2 [1,1,0,0,0,0|1,0,0]=3 166 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [1,1,0,0,0,0|1,0,1]=4 167 B9R0.23 COC(=O)[C@H](O)CC(=O)C CNP0113476.1 [1,1,0,0,0,0|0,0,0]=2 168 B9R0.23 COC(=O)[C@H](O)CC(=O)O CNP0269332.1 [1,1,0,0,0,0|0,0,0]=2 169 B9R0.23 CSC(=O)C(C)OC(=O)C CNP0019263.0 [1,1,0,0,0,0|1,1,0]=4 170 B9R0.23 NC(CC(=O)O)C(=O)O[K+] CNP0611577.0 [1,1,0,0,0,0|1,0,0]=3 171 B9R0.23 N[C@H](CC(=O)O)C(=O)O[K+] CNP0611577.1 [1,1,0,0,0,0|1,0,0]=3 172 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [1,1,0,0,0,0|2,0,0]=4 173 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [1,1,0,0,0,0|2,0,0]=4 174 B9R0.42 C=C(CC(=O)OC)C(=O)O CNP0268165.0 [1,1,0,0,0,0|0,0,1]=3 175 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [1,1,0,0,0,0|2,0,0]=4 176 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [1,1,0,0,0,0|2,0,0]=4 177 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [1,1,0,0,0,0|1,0,0]=3 178 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [1,1,0,0,0,0|0,0,0]=2 179 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [1,1,0,0,0,0|0,0,0]=2 180 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [1,1,0,0,0,0|0,0,0]=2 181 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O CNP0289364.1 [1,1,0,0,0,0|2,0,0]=4 183 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|1,0,0]=3 184 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [1,1,0,0,0,0|2,0,0]=4 185 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [1,1,0,0,0,0|2,0,0]=4 186 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [1,1,0,0,0,0|0,0,2]=4 187 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [1,1,0,0,0,0|0,0,0]=2 188 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [1,1,0,0,0,0|1,0,0]=3 189 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [1,1,0,0,0,0|0,0,0]=2 190 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [1,1,0,0,0,0|1,0,1]=4 191 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [1,1,0,0,0,0|1,0,1]=4 192 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [1,1,0,0,0,0|1,1,0]=4 194 B9R0.48 COCC(=O)NCC(=O)O CNP0277433.0 [1,1,0,0,0,0|1,0,0]=3 195 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [1,1,0,0,0,0|1,0,0]=3 196 B9R0.27 COC(=O)C(=O)C(=O)OC CNP0423132.0 [0,1,0,0,1,0|0,0,1]=3 197 B9R0.27 COC(=O)C(O)C(=O)OC CNP0327045.0 [0,1,0,0,1,0|0,0,0]=2 198 B11R0.110 COC(=O)C[C@@H](C)OC(=O)CO CNP0546678.1 [0,1,0,0,0,1|2,0,0]=4 199 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC CNP0287333.1 [0,1,0,0,0,1|0,0,0]=2 200 B11R0.9 CCOC(=O)CCC(OC)OC CNP0278348.0 [0,2,0,0,0,0|0,0,2]=4 201 B11R0.43 CCOC(=O)C(=O)CC(=O)CC CNP0113615.0 [0,2,0,0,0,0|1,0,1]=4 202 B11R0.66 COC(=O)C(=C(O)C(=O)OC)O CNP0251660.0 [0,2,0,0,0,0|0,0,2]=4 203 B11R0.66 COC(=O)[C@@H](O)[C@@H](O)C(=O)OC CNP0266123.2 [0,2,0,0,0,0|0,0,0]=2 204 B11R0.66 COC(=O)[C@H](O)[C@@H](O)C(=O)OC CNP0266123.1 [0,2,0,0,0,0|0,0,0]=2 205 B11R0.88 COC(=O)C[C@H](OC)C(=O)OC CNP0295618.1 [0,2,0,0,0,0|0,0,0]=2 206 B11R0.187 CCOC(=O)CC(O)C(=O)OC CNP0340722.0 [0,2,0,0,0,0|0,0,0]=2 207 B11R0.150 CN(C)C(=O)CCC(=O)N(C)C CNP0172295.0 [0,2,0,0,0,0|2,0,0]=4 208 B11R0.62 CCOC(=O)C=CC(=O)OCC CNP0127859.0 [0,2,0,0,0,0|0,0,2]=4 209 B11R0.62 CCOC(=O)CCC(=O)OCC CNP0115480.0 [0,2,0,0,0,0|0,0,0]=2 210 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [0,2,0,0,0,0|1,0,0]=3 211 B11R0.107 COC(=O)CCC(=O)CC(=O)C CNP0305846.0 [0,2,0,0,0,0|1,0,0]=3 212 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [1,0,0,1,0,0|1,0,1]=4 213 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [1,0,0,1,0,0|1,0,1]=4 214 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [1,0,0,1,0,0|2,0,0]=4 215 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [1,0,0,1,0,0|0,0,2]=4 216 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [1,0,0,1,0,0|0,2,0]=4 217 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [1,0,0,1,0,0|2,0,0]=4 218 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [1,0,0,1,0,0|2,0,0]=4 221 B9R1.35 O=C1NCC(N1)C(=O)O CNP0324165.0 [1,0,0,1,0,0|2,0,0]=4 222 B9R1.35 O=C1N[C@@H](CS1)C(=O)O CNP0361457.2 [1,0,0,1,0,0|1,1,0]=4 223 B9R1.35 O=C1N[C@H](CS1)C(=O)O CNP0361457.1 [1,0,0,1,0,0|1,1,0]=4 224 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [1,0,0,1,0,0|2,0,0]=4 225 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,1,1,0|2,0,0]=4 226 B11R1.39 COC(=O)C[C@@H]1C=CC(=O)O1 CNP0175302.2 [0,0,0,1,0,1|1,0,1]=4 227 B11R1.39 COC(=O)C[C@H]1C=CC(=O)O1 CNP0175302.1 [0,0,0,1,0,1|1,0,1]=4 228 B11R1.145 O=C1CSCC(=O)NCCN1 CNP0314481.0 [0,0,0,1,0,1|2,0,0]=4 229 B11R1.865 COC(=O)C1=C(C(=O)OC1)C CNP0237012.0 [0,0,0,1,0,1|1,0,1]=4 230 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C CNP0354040.1 [0,0,0,1,0,1|1,0,0]=3 231 B11R1.865 COC(=O)[C@@H]1CCC(=O)[C@H]1C CNP0292154.1 [0,0,0,1,0,1|1,0,0]=3 232 B11R1.23 COC(=O)C1=CC(=O)OCC1 CNP0435092.0 [0,1,0,1,0,0|0,0,2]=4 233 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 CNP0329486.1 [0,1,0,1,0,0|2,0,0]=4 234 B11R1.226 COC(=O)[C@@H]1C[C@H](C(=O)N1)O CNP0306375.1 [0,1,0,1,0,0|2,0,0]=4 235 B11R1.226 COC(=O)[C@H]1C[C@@H](C(=O)N1)O CNP0306375.2 [0,1,0,1,0,0|2,0,0]=4 236 B11R1.885 COC(=O)[C@@]1(CCC(=O)N1)C CNP0548219.2 [0,1,0,1,0,0|2,0,0]=4 237 B11R1.885 COC(=O)[C@]1(CCC(=O)N1)C CNP0548219.1 [0,1,0,1,0,0|2,0,0]=4 238 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,1,0,1,0,0|2,0,0]=4 239 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CNP0367585.2 [0,1,0,1,0,0|2,0,0]=4 240 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CNP0367585.1 [0,1,0,1,0,0|2,0,0]=4 241 B11R1.15 O=C1C[C@@H](CO1)C(=O)CCO CNP0159390.1 [0,1,0,1,0,0|1,0,0]=3 242 B11R2.60 O=C1OC[C@H]2[C@@H]1COC2=O CNP0261774.1 [0,0,0,2,0,0|0,0,0]=2 243 B11R2.66 O=C1C[C@@H]2C(=O)OC[C@@H]2O1 CNP0386488.1 [0,0,0,2,0,0|0,0,0]=2 244 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,0,0,0,1,0|2,0,0]=4 245 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,0,0,0,1,0|1,0,0]=3 246 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,0,0,0,1,0|2,0,0]=4 247 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [1,0,0,0,1,0|2,0,0]=4 248 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [1,0,0,0,1,0|2,0,0]=4 249 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,0,0,0,1,0|1,0,1]=4 250 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,0,0,0,1,0|1,0,1]=4 251 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,0,0,0,1,0|0,0,0]=2 252 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,0,0,0,1,0|0,0,0]=2 253 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,0,0,0,1,0|1,0,1]=4 254 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,0,0,0,1,0|0,1,1]=4 255 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,0,0,0,1,0|2,0,0]=4 256 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,0,0,0,1,0|1,0,1]=4 257 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,0,0,0,1,0|0,0,2]=4 258 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,0,0,0,1,0|2,0,0]=4 259 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,0,0,0,1,0|2,0,0]=4 260 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [1,0,0,0,1,0|2,0,0]=4 261 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,0,0,0,1,0|2,0,0]=4 262 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,0,0,0,2,0|2,0,0]=4 263 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,0,0,0,2,0|2,0,0]=4 264 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,0,0,0,2,0|2,0,0]=4 265 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,0,0,0,2,0|0,0,0]=2 266 B7R0.10 NOC(=O)C(=O)ON CNP0440207.0 [0,0,0,0,2,0|2,0,0]=4 267 B11R0.106 COC(=O)CCCCC(=O)OC CNP0317209.0 [0,0,0,0,0,2|0,0,0]=2