0 B8R0.9 C=CC(=O)NCC(=O)O CNP0077507.0 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,0,0,0,0,0|1,0,1]=2 25 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,0,0,0,0,0|0,0,0]=0 26 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,0,0,0,0,0|1,0,0]=1 27 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,0,0,0,0,0|1,0,1]=2 29 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,0,0,0,0,0|1,0,0]=1 30 B8R0.9 COC(=O)NNC(=O)N CNP0304679.0 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,0,0,0,0,0|1,1,1]=3 32 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,0,0,0,0,0|3,0,0]=3 33 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.9 O=C(O)CCC(=O)NO CNP0136196.0 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,0,0,0,0,0|0,0,1]=2 41 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.3 C=CCSS(=O)OC CNP0499912.0 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|0,0,1]=2 47 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,0,0,0,0,0|0,0,0]=1 52 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|0,0,1]=2 69 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,0,0,0,0|1,0,1]=3 70 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,0,0,0,0,0|1,0,1]=3 72 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [1,0,0,0,0,0|0,0,2]=3 73 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [1,0,0,0,0,0|0,0,2]=3 74 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,0,0,0,0,0|0,0,0]=1 75 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,0,0,0,0,0|0,0,0]=1 76 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [1,0,0,0,0,0|0,0,1]=2 77 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [1,0,0,0,0,0|0,0,1]=2 78 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,0,0|1,0,1]=3 79 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [1,0,0,0,0,0|1,0,0]=2 80 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,0,0,0,0,0|1,0,0]=2 82 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.6 CC(=O)NNC(=O)N CNP0300547.0 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,0,0,0,0|1,0,1]=3 91 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,0,0,0,0,0|0,0,2]=3 93 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,0,0,0,0,0|1,0,1]=3 99 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,0,0,0,0,0|2,0,0]=3 100 B7R0.6 N=C(N)NCC(=O)O CNP0177921.0 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.6 NC(=NCC(=O)O)N CNP0491691.0 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [1,0,0,0,0,0|1,0,2]=4 103 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [1,0,0,0,0,0|2,0,0]=3 104 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [1,0,0,0,0,0|1,0,0]=2 105 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [1,0,0,0,0,0|2,0,0]=3 106 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [1,0,0,0,0,0|2,0,0]=3 107 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.6 O=C(Cl)CC[N+](=O)[O-] CNP0468600.0 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.6 O=C(O)C#CC(=O)O CNP0197927.0 [1,0,0,0,0,0|1,0,2]=4 110 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [1,0,0,0,0,0|1,0,2]=4 111 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [1,0,0,0,0,0|1,0,0]=2 112 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [1,0,0,0,0,0|2,0,0]=3 113 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [1,0,0,0,0,0|2,0,0]=3 114 B7R0.6 O=C(O)CN[N+](=O)[O-] CNP0570107.0 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [1,0,0,0,0,0|1,0,2]=4 116 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [1,0,0,0,0,0|1,0,1]=3 117 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [0,1,0,0,0,0|3,0,0]=4 118 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,1,0,0,0,0|2,0,0]=3 119 B9R0.7 CC(C)C(=O)NCC(=O)O CNP0079797.0 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.7 CC(S)C(=O)NCC(=O)O CNP0492780.0 [0,1,0,0,0,0|3,0,0]=4 121 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O CNP0524494.1 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.7 C[C@@H](O)C(=O)CCC(=O)O CNP0134105.1 [0,1,0,0,0,0|2,0,0]=3 123 B9R0.7 NC(=O)CCC(=O)C(=O)O CNP0032107.0 [0,1,0,0,0,0|3,0,0]=4 124 B9R0.7 O=C(O)CCC(=O)C(=O)O CNP0115442.0 [0,1,0,0,0,0|3,0,0]=4 125 B9R0.7 O=C([O-])CCC(=O)C(=O)O CNP0505801.0 [0,1,0,0,0,0|3,0,0]=4 126 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [0,1,0,0,0,0|1,0,2]=4 127 B9R0.21 COC(=O)CCS(=O)(=O)C CNP0017539.0 [0,1,0,0,0,0|1,0,0]=2 128 B9R0.23 CCC(=O)[C@H](C)NC(=O)C CNP0481788.1 [0,1,0,0,0,0|2,0,0]=3 129 B9R0.23 COC(=O)C(=CC(=O)O)C CNP0215692.0 [0,1,0,0,0,0|1,0,2]=4 130 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,1,0,0,0,0|1,0,2]=4 131 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [0,1,0,0,0,0|1,0,0]=2 132 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,1,0,0,0,0|1,0,1]=3 133 B9R0.23 COC(=O)[C@@H](N)CC(=O)N CNP0041402.1 [0,1,0,0,0,0|1,0,0]=2 134 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,1,0,0,0,0|1,0,1]=3 135 B9R0.23 COC(=O)[C@@H](O)CC(=O)C CNP0113476.2 [0,1,0,0,0,0|0,0,0]=1 136 B9R0.23 COC(=O)[C@H](N)CC(=O)N CNP0041402.2 [0,1,0,0,0,0|1,0,0]=2 137 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,1,0,0,0,0|1,0,1]=3 138 B9R0.23 COC(=O)[C@H](O)CC(=O)C CNP0113476.1 [0,1,0,0,0,0|0,0,0]=1 139 B9R0.23 COC(=O)[C@H](O)CC(=O)O CNP0269332.1 [0,1,0,0,0,0|1,0,0]=2 140 B9R0.23 CSC(=O)C(C)OC(=O)C CNP0019263.0 [0,1,0,0,0,0|1,1,0]=3 141 B9R0.23 NC(CC(=O)O)C(=O)O[K+] CNP0611577.0 [0,1,0,0,0,0|2,0,0]=3 142 B9R0.23 N[C@H](CC(=O)O)C(=O)O[K+] CNP0611577.1 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,1,0,0,0,0|1,0,0]=2 144 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,0,0,0,0|1,0,1]=3 147 B9R0.24 CNC(=O)CNC(=O)CN CNP0047702.0 [0,1,0,0,0,0|2,0,0]=3 148 B9R0.24 COC(=O)C#CC(=O)OC CNP0341643.0 [0,1,0,0,0,0|0,0,2]=3 149 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [0,1,0,0,0,0|0,0,2]=3 150 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,1,0,0,0,0|0,0,0]=1 151 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,1,0,0,0,0|0,0,0]=1 152 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,1,0,0,0,0|0,0,0]=1 153 B9R0.24 COC(=O)NNC(=O)OC CNP0145555.0 [0,1,0,0,0,0|2,0,0]=3 154 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,1,0,0,0,0|3,0,0]=4 155 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,1,0,0,0,0|3,0,0]=4 156 B9R0.42 C=C(CC(=O)OC)C(=O)O CNP0268165.0 [0,1,0,0,0,0|1,0,1]=3 157 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,1,0,0,0,0|3,0,0]=4 158 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [0,1,0,0,0,0|3,0,0]=4 159 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,1,0,0,0,0|2,0,0]=3 160 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [0,1,0,0,0,0|0,0,0]=1 161 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,1,0,0,0,0|1,0,0]=2 162 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,1,0,0,0,0|1,0,0]=2 163 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,1,0,0,0,0|3,0,0]=4 164 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O CNP0289364.1 [0,1,0,0,0,0|3,0,0]=4 165 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,1,0,0,0,0|3,0,0]=4 166 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,1,0,0,0,0|1,0,0]=2 167 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,1,0,0,0,0|2,0,0]=3 168 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,1,0,0,0,0|3,0,0]=4 169 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,1,0,0,0,0|2,0,1]=4 170 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,1,0,0,0,0|1,0,2]=4 171 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,1,0,0,0,0|0,0,0]=1 172 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,1,0,0,0,0|1,0,0]=2 173 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,1,0,0,0,0|1,0,0]=2 174 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,1,0,0,0,0|1,0,1]=3 175 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,1,0,0,0,0|2,0,0]=3 176 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,1,0,0,0,0|1,0,1]=3 177 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,1,0,0,0,0|1,1,0]=3 178 B9R0.48 COCC(=O)NCC(=O)O CNP0277433.0 [0,1,0,0,0,0|2,0,0]=3 179 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [0,1,0,0,0,0|2,0,0]=3 180 B9R0.64 C=CS(=O)(=O)CCC(=O)C CNP0167386.0 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,0,0,1,0,0|2,0,1]=4 182 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,0,0,1,0,0|1,0,1]=3 183 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,0,0,1,0,0|2,0,0]=3 184 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,0,0,1,0,0|0,0,2]=3 185 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CNP0295319.2 [0,0,0,1,0,0|3,0,0]=4 186 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 CNP0295319.1 [0,0,0,1,0,0|3,0,0]=4 187 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,0,0,1,0,0|3,0,0]=4 188 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [0,0,0,1,0,0|1,2,0]=4 189 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,0,0,1,0,0|3,0,0]=4 190 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,0,0,1,0,0|3,0,0]=4 191 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,0,0,1,0,0|3,0,0]=4 192 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,1,0,0|3,0,0]=4 193 B9R1.35 O=C1NCC(N1)C(=O)O CNP0324165.0 [0,0,0,1,0,0|3,0,0]=4 194 B9R1.35 O=C1N[C@@H](CS1)C(=O)O CNP0361457.2 [0,0,0,1,0,0|2,1,0]=4 195 B9R1.35 O=C1N[C@H](CS1)C(=O)O CNP0361457.1 [0,0,0,1,0,0|2,1,0]=4 196 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,0,0,1,0,0|3,0,0]=4 197 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,0,0,1,0,0|2,0,1]=4 198 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,0,0,1,0,0|1,0,2]=4 199 B9R1.69 C[C@@H]1NC(=O)CNC1=O CNP0190271.1 [0,0,0,1,0,0|3,0,0]=4 200 B9R1.69 C[C@H]1NC(=O)CNC1=O CNP0190271.2 [0,0,0,1,0,0|3,0,0]=4 201 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,0,0,1,0,0|2,0,1]=4 202 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [0,0,0,1,0,0|2,0,1]=4 203 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,0,0,0,1,0|3,0,0]=4 204 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,0,0,0,1,0|3,0,0]=4 205 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,0,0,0,1,0|3,0,0]=4 206 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,0,0,0,1,0|2,0,1]=4 207 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,0,0,0,1,0|2,0,1]=4 208 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,0,0,0,1,0|2,0,0]=3 209 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,0,0,0,1,0|2,0,1]=4 210 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,0,0,0,1,0|2,0,0]=3 211 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,0,0,0,1,0|2,0,1]=4 212 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,0,0,0,1,0|2,0,0]=3 213 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,0,0,0,1,0|3,0,0]=4 214 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,0,0,1,0|1,0,1]=3 215 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,0,0,0,1,0|1,0,1]=3 216 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,0,0,0,1,0|0,0,0]=1 217 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,0,0,0,1,0|1,0,0]=2 218 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,0,0,0,1,0|1,0,1]=3 219 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,0,0,0,1,0|0,1,1]=3 220 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,0,0,0,1,0|2,0,0]=3 221 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,0,0,0,1,0|1,0,1]=3 222 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,0,0,0,1,0|0,0,2]=3 223 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,0,0,0,1,0|2,0,0]=3 224 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,0,0,0,1,0|2,0,0]=3 225 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,0,0,0,1,0|2,0,0]=3 226 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,0,0,0,1,0|1,1,1]=4 227 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,0,0,0,1,0|3,0,0]=4 228 B9R0.1 C=C(CC)CCC=C(C)C CNP0507875.0 [0,0,0,0,0,1|3,0,0]=4 229 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [0,0,0,0,0,1|3,0,0]=4 230 B9R0.1 CC=C(C)CCC=C(C)C CNP0355870.0 [0,0,0,0,0,1|3,0,0]=4 231 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,0,0,0,0,1|2,0,1]=4 232 B9R0.1 CCC(=O)OCC[N+](=O)[O-] CNP0502112.0 [0,0,0,0,0,1|3,0,0]=4 233 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,0,0,0,0,1|2,0,1]=4 234 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,0,0,0,0,1|0,0,0]=1 235 B9R0.1 COC(=O)CCCC(=O)Cl CNP0360552.0 [0,0,0,0,0,1|1,0,0]=2 236 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,0,0,0,0,1|1,0,0]=2 237 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,0,0,0,0,1|1,0,1]=3 238 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,0,0,0,0,1|2,0,0]=3 239 B9R0.1 COC(=O)CONC(=O)C CNP0170381.0 [0,0,0,0,0,1|1,0,0]=2 240 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,1]=3 244 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|2,0,0]=4 245 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|2,0,0]=4 246 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|1,0,0]=3 248 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,0]=2 250 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,0]=3 251 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,0]=3 257 B6R0.1 COC(=O)C=CBr CNP0321764.0 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.1 COC(=O)C=CI CNP0190700.0 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|0,0,0]=2 260 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|1,0,0]=3 262 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|1,1,0]=4 263 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|0,0,1]=3 264 B6R0.4 C=CCCC(=O)N CNP0118917.0 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.4 C=CCCC(=O)O CNP0003359.0 [2,0,0,0,0,0|0,0,1]=3 266 B6R0.4 C=CCOC(=O)C CNP0175648.0 [2,0,0,0,0,0|1,0,1]=4 267 B6R0.4 C=CCSC(=O)C CNP0301401.0 [2,0,0,0,0,0|1,0,1]=4 268 B6R0.4 CC(=CCC=O)C CNP0094675.0 [2,0,0,0,0,0|1,0,1]=4 269 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|0,0,0]=2 270 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|1,0,1]=4 271 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|1,0,1]=4 272 B6R0.4 CC(C)CCC=O CNP0198082.0 [2,0,0,0,0,0|1,0,1]=4 273 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,1]=3 274 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|1,0,1]=4 275 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,1]=3 276 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,1]=3 278 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,1]=3 279 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,1]=4 281 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,1]=4 282 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.4 COCC=C(C)C CNP0493784.0 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.4 COCCC(C)C CNP0316382.0 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.4 COCCN(C)C CNP0429553.0 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|0,1,0]=3 289 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|1,1,0]=4 290 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,0]=3 291 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|1,1,0]=4 292 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|1,0,1]=4 293 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [2,0,0,0,0,0|2,0,0]=4 294 B6R0.4 N=CNCC(=O)O CNP0218776.0 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|1,0,1]=4 296 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,1]=4 297 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|0,0,2]=4 298 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|1,0,1]=4 299 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|0,0,0]=2 300 B6R0.4 O=CNCC(=O)O CNP0082901.0 [2,0,0,0,0,0|1,0,0]=3 301 B6R0.6 C=CCCC=CC CNP0426808.0 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|1,0,0]=3 303 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|1,0,1]=4 306 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|0,0,2]=4 307 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|0,1,1]=4 308 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,1,0,0,0,0|0,0,1]=3 309 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,1,0,0,0,0|1,0,1]=4 310 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|1,0,1]=4 311 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,1,0,0,0,0|0,0,1]=3 312 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,1,0,0,0,0|0,0,0]=2 313 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,1,0,0,0,0|0,0,2]=4 314 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [1,1,0,0,0,0|1,0,1]=4 316 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|1,0,1]=4 317 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|1,0,1]=4 318 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|0,0,1]=3 319 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|1,0,0]=3 320 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|1,0,0]=3 321 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|1,0,0]=3 322 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [1,1,0,0,0,0|0,0,2]=4 323 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [1,1,0,0,0,0|0,0,1]=3 324 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,1,0,0,0,0|0,0,2]=4 325 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,1,0,0,0,0|0,0,1]=3 327 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,1,0,0,0,0|0,1,1]=4 328 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,1,0,0,0,0|0,0,1]=3 330 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,1,0,0,0,0|0,0,1]=3 331 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|1,0,1]=4 333 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|1,0,1]=4 334 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|1,0,1]=4 335 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [1,1,0,0,0,0|2,0,0]=4 336 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|1,0,1]=4 337 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|0,0,1]=3 338 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,1]=4 339 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,1]=4 340 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|0,0,1]=3 341 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|0,0,1]=3 342 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [1,1,0,0,0,0|1,0,1]=4 343 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|1,0,0]=3 344 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|1,0,1]=4 347 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,1,0,0,0,0|1,0,1]=4 350 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,1,0,0,0,0|1,0,0]=3 351 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|1,0,0]=3 353 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,1,0,0,0,0|2,0,0]=4 354 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,1,0,0,0,0|2,0,0]=4 355 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|1,0,1]=4 357 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,1,0,0,0,0|1,0,1]=4 358 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,1,0,0,0,0|0,0,1]=3 359 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,1,0,0,0,0|0,1,1]=4 360 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [1,1,0,0,0,0|2,0,0]=4 361 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [1,1,0,0,0,0|1,0,1]=4 362 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [1,1,0,0,0,0|1,0,0]=3 363 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [1,1,0,0,0,0|1,0,1]=4 364 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [1,1,0,0,0,0|2,0,0]=4 366 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [1,1,0,0,0,0|2,0,0]=4 367 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [1,1,0,0,0,0|2,0,0]=4 368 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.23 C=C(CC(=O)O)C(=O)O CNP0269442.0 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O CNP0106223.1 [1,1,0,0,0,0|1,0,1]=4 371 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [1,1,0,0,0,0|0,0,1]=3 373 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [1,1,0,0,0,0|0,0,0]=2 374 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [1,1,0,0,0,0|1,0,1]=4 375 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [1,1,0,0,0,0|0,0,0]=2 376 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [1,1,0,0,0,0|0,0,0]=2 377 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [1,1,0,0,0,0|0,0,0]=2 378 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [1,1,0,0,0,0|1,0,0]=3 379 B8R0.23 CC(=O)OC(C)C(=O)Cl CNP0312300.0 [1,1,0,0,0,0|2,0,0]=4 380 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [1,1,0,0,0,0|1,0,0]=3 381 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [1,1,0,0,0,0|1,0,0]=3 382 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [1,1,0,0,0,0|0,0,0]=2 383 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [1,1,0,0,0,0|1,0,1]=4 384 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [1,1,0,0,0,0|1,0,1]=4 385 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [1,1,0,0,0,0|1,0,1]=4 386 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [1,1,0,0,0,0|1,0,1]=4 387 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [1,1,0,0,0,0|1,0,1]=4 388 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [1,1,0,0,0,0|1,0,1]=4 389 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [1,1,0,0,0,0|0,0,2]=4 390 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [1,1,0,0,0,0|2,0,0]=4 391 B8R0.23 CN(CC(=O)O)C(=O)N CNP0548599.0 [1,1,0,0,0,0|2,0,0]=4 392 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [1,1,0,0,0,0|1,0,0]=3 393 B8R0.23 C[C@@H](NC(=O)N)C(=O)O CNP0369812.2 [1,1,0,0,0,0|2,0,0]=4 394 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [1,1,0,0,0,0|0,0,2]=4 395 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [1,1,0,0,0,0|0,0,2]=4 396 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [1,1,0,0,0,0|1,0,0]=3 397 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [1,1,0,0,0,0|1,0,1]=4 398 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [1,1,0,0,0,0|1,0,1]=4 399 B8R0.23 C[C@H](NC(=O)N)C(=O)O CNP0369812.1 [1,1,0,0,0,0|2,0,0]=4 400 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [1,1,0,0,0,0|0,0,2]=4 401 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [1,1,0,0,0,0|1,0,1]=4 403 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [1,1,0,0,0,0|1,0,1]=4 404 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [1,1,0,0,0,0|1,0,1]=4 405 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [1,1,0,0,0,0|1,0,1]=4 406 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [1,1,0,0,0,0|1,0,1]=4 407 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [1,1,0,0,0,0|1,0,1]=4 408 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [1,1,0,0,0,0|1,0,0]=3 409 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [1,1,0,0,0,0|1,0,0]=3 410 B8R0.23 N=C(CC(=O)O)C(=O)O CNP0417649.0 [1,1,0,0,0,0|1,0,1]=4 411 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [1,1,0,0,0,0|1,0,0]=3 412 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [1,1,0,0,0,0|1,0,0]=3 413 B8R0.23 NC(=O)N[C@@H](O)C(=O)O CNP0085588.2 [1,1,0,0,0,0|2,0,0]=4 414 B8R0.23 NC(=O)N[C@H](N)C(=O)O CNP0313342.1 [1,1,0,0,0,0|2,0,0]=4 415 B8R0.23 NC(=O)N[C@H](O)C(=O)O CNP0085588.1 [1,1,0,0,0,0|2,0,0]=4 416 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [1,1,0,0,0,0|1,0,0]=3 417 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [1,1,0,0,0,0|1,0,0]=3 418 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [1,1,0,0,0,0|1,0,0]=3 419 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] CNP0541821.0 [1,1,0,0,0,0|1,0,1]=4 420 B8R0.23 NC(CS(=O)=O)C(=O)O CNP0422129.0 [1,1,0,0,0,0|2,0,0]=4 421 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [1,1,0,0,0,0|2,0,0]=4 422 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [1,1,0,0,0,0|1,0,0]=3 423 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [1,1,0,0,0,0|1,0,0]=3 424 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [1,1,0,0,0,0|2,0,0]=4 425 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [1,1,0,0,0,0|2,0,0]=4 426 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [1,1,0,0,0,0|2,0,0]=4 427 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [1,1,0,0,0,0|2,0,0]=4 428 B8R0.23 N[C@@H](C[S](=O)=O)C(=O)O CNP0002376.1 [1,1,0,0,0,0|2,0,0]=4 429 B8R0.23 N[C@@H](C[SeH](=O)=O)C(=O)O CNP0497016.1 [1,1,0,0,0,0|2,0,0]=4 430 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [1,1,0,0,0,0|1,0,0]=3 431 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [1,1,0,0,0,0|2,0,0]=4 432 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [1,1,0,0,0,0|2,0,0]=4 433 B8R0.23 O=C(O)CC(=O)C(=O)O CNP0390338.0 [1,1,0,0,0,0|1,0,1]=4 434 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [1,1,0,0,0,0|1,0,0]=3 435 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [1,1,0,0,0,0|1,0,0]=3 436 B8R0.23 O=C(O)CN(O)C(=O)O CNP0547380.0 [1,1,0,0,0,0|2,0,0]=4 437 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [1,1,0,0,0,0|1,0,0]=3 438 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [1,1,0,0,0,0|1,0,0]=3 439 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [1,1,0,0,0,0|1,0,0]=3 440 B8R0.23 O=C([Na])C[C@@H](O)C(=O)[Na] CNP0467255.1 [1,1,0,0,0,0|2,0,0]=4 441 B8R0.23 O=C([O-])CC(O)C(=O)O CNP0534895.0 [1,1,0,0,0,0|1,0,0]=3 442 B8R0.23 O=C([O-])CC([S-])C(=O)[O-] CNP0547285.0 [1,1,0,0,0,0|1,0,1]=4 443 B8R0.29 CC(=O)CCS(=O)(=O)C CNP0178964.0 [1,1,0,0,0,0|1,0,0]=3 444 B8R0.29 CS(=O)(=O)CCC(=O)O CNP0352253.0 [1,1,0,0,0,0|1,0,0]=3 445 B8R0.29 O=C(O)CCP(=O)(O)O CNP0502443.0 [1,1,0,0,0,0|2,0,0]=4 446 B8R0.29 O=C(O)CCS(=O)(=O)O CNP0551286.0 [1,1,0,0,0,0|2,0,0]=4 447 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,1,0,0,1,0|2,0,0]=4 448 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,1,0,0,1,0|2,0,0]=4 449 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,1,0,0,1,0|1,0,0]=3 450 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,1,0,0,1,0|1,0,1]=4 451 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,1,0,0,1,0|1,0,1]=4 452 B8R0.2 COC(=O)N(O)C(=O)C CNP0298264.0 [0,1,0,0,1,0|1,0,0]=3 453 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,1,0,0,1,0|0,0,2]=4 454 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,1,0,0,1,0|1,0,1]=4 455 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,1,0,0,1,0|0,0,2]=4 456 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,1,0,0,1,0|0,0,2]=4 457 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,1,0,0,1,0|0,0,2]=4 458 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,1,0,0,1,0|0,0,2]=4 459 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [0,1,0,0,1,0|0,0,2]=4 460 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,1,0,0,1,0|0,0,2]=4 461 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,1,0,0,0,1|2,0,0]=4 462 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,0,0,0,1|2,0,0]=4 463 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,1,0,0,0,1|0,0,0]=2 464 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,1,0,0,0,1|1,0,1]=4 465 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,1,0,0,0,1|0,0,2]=4 466 B10R0.3 COCC(=O)NCCC(=O)O CNP0328117.0 [0,1,0,0,0,1|1,0,0]=3 467 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,1,0,0,0,1|1,0,1]=4 468 B10R0.3 NCCC(=O)NCCC(=O)O CNP0387017.0 [0,1,0,0,0,1|2,0,0]=4 469 B10R0.44 COC(=O)C=C(C)NC(=O)C CNP0034645.0 [0,1,0,0,0,1|0,0,2]=4 470 B10R0.44 COC(=O)CC(=CC(=O)O)C CNP0155596.0 [0,1,0,0,0,1|1,0,1]=4 471 B10R0.57 COC(=O)C(=COC(=O)C)C CNP0073278.0 [0,1,0,0,0,1|0,0,2]=4 472 B10R0.57 COC(=O)C(N)CCC(=O)O CNP0082233.0 [0,1,0,0,0,1|1,0,0]=3 473 B10R0.57 COC(=O)[C@H](N)CCC(=O)N CNP0111984.1 [0,1,0,0,0,1|1,0,0]=3 474 B10R0.59 COC(=O)CCCC(=O)OC CNP0334682.0 [0,1,0,0,0,1|0,0,0]=2 475 B10R0.59 COC(=O)COCC(=O)OC CNP0414365.0 [0,1,0,0,0,1|0,0,0]=2 476 B10R0.82 CNC(=O)CC[C@H](N)C(=O)O CNP0587641.1 [0,1,0,0,0,1|2,0,0]=4 477 B10R0.98 CC(C)C(=O)NCCC(=O)O CNP0386107.0 [0,1,0,0,0,1|2,0,0]=4 478 B10R0.84 CC(=O)CCC(C=O)C(C)C CNP0611984.0 [0,2,0,0,0,0|1,0,1]=4 479 B10R0.84 CC=C(COC(=O)C)C(=O)O CNP0278363.0 [0,2,0,0,0,0|2,0,0]=4 480 B10R0.84 CNC(CCC(=O)C)C(=O)O CNP0217450.0 [0,2,0,0,0,0|1,0,1]=4 481 B10R0.37 COC(=O)C(C)C[N+](C)(C)C CNP0503776.0 [0,2,0,0,0,0|2,0,0]=4 482 B10R0.109 CCOC(=O)CCS(=O)(=O)C CNP0414710.0 [0,2,0,0,0,0|1,0,0]=3 483 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,2,0,0,0,0|1,0,1]=4 484 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,2,0,0,0,0|1,0,1]=4 485 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,2,0,0,0,0|0,0,2]=4 486 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,2,0,0,0,0|1,0,0]=3 487 B10R0.46 C=C(CC(=O)OC)C(=O)OC CNP0185173.0 [0,2,0,0,0,0|0,0,1]=3 488 B10R0.46 CCC(=O)OC(C)C(=O)SC CNP0347510.0 [0,2,0,0,0,0|1,1,0]=4 489 B10R0.46 COC(=O)C(C)CC(C)CO CNP0593548.0 [0,2,0,0,0,0|0,0,2]=4 490 B10R0.46 COC(=O)C=C(C)C(=O)OC CNP0198897.0 [0,2,0,0,0,0|0,0,2]=4 491 B10R0.46 COC(=O)CC(=O)C(=O)OC CNP0261519.0 [0,2,0,0,0,0|0,0,1]=3 492 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC CNP0140271.1 [0,2,0,0,0,0|0,0,0]=2 493 B10R0.46 COC(=O)C[C@H](N)C(=O)OC CNP0177660.1 [0,2,0,0,0,0|0,0,0]=2 494 B10R0.46 COC(=O)C[C@H](O)C(=O)OC CNP0140271.2 [0,2,0,0,0,0|0,0,0]=2 495 B10R0.54 COC(=O)[C@H](CC(=O)C)OC CNP0311272.1 [0,2,0,0,0,0|0,0,0]=2 496 B10R0.54 COC(=O)[C@H](CS)NC(=O)C CNP0043557.1 [0,2,0,0,0,0|1,0,0]=3 497 B10R0.56 COC(=O)[C@H](O)[C@H](N)C(=O)O CNP0156686.1 [0,2,0,0,0,0|1,0,0]=3 498 B10R0.141 COC(=O)C(C)(O)CC(=O)O CNP0132793.0 [0,2,0,0,0,0|1,0,0]=3 499 B10R0.141 COC(=O)[C@](C)(O)CC(=O)O CNP0132793.1 [0,2,0,0,0,0|1,0,0]=3 500 B10R0.108 C=C(CCBr)CCC(=O)OC CNP0344449.0 [0,2,0,0,0,0|1,0,0]=3 501 B10R0.108 C=CCC(=O)NCC(=O)OC CNP0315997.0 [0,2,0,0,0,0|1,0,0]=3 502 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,2,0,0,0,0|0,0,1]=3 503 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,2,0,0,0,0|1,0,0]=3 504 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,2,0,0,0,0|2,0,0]=4 505 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,2,0,0,0,0|1,0,0]=3 506 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,2,0,0,0,0|1,0,0]=3 507 B10R0.26 NCCC(=O)C[C@H](N)C(=O)O CNP0253438.1 [0,2,0,0,0,0|2,0,0]=4 508 B10R0.47 COC(=O)CC(C)(O)C(=O)O CNP0132796.0 [0,2,0,0,0,0|1,0,0]=3 509 B10R0.47 COC(=O)C[C@@](C)(O)C(=O)O CNP0132796.1 [0,2,0,0,0,0|1,0,0]=3 510 B10R0.53 CC[C@@H](CC(=O)OC)C(C)C CNP0179585.1 [0,2,0,0,0,0|1,0,1]=4 511 B10R0.53 CC[C@H](CC(=O)OC)C(C)C CNP0179585.2 [0,2,0,0,0,0|1,0,1]=4 512 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,2,0,0,0,0|0,0,0]=2 513 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,2,0,0,0,0|0,0,0]=2 514 B10R0.78 COCC=C(C)COC(=O)C CNP0326991.0 [0,2,0,0,0,0|2,0,0]=4 515 B10R0.96 CC(=CC(=O)CCC(=O)O)O CNP0478615.0 [0,2,0,0,0,0|2,0,0]=4 516 B10R0.96 CC(=O)CC(=O)CCC(=O)O CNP0178580.0 [0,2,0,0,0,0|2,0,0]=4 517 B10R0.96 CC(C)OC(=O)CCC(=O)O CNP0547700.0 [0,2,0,0,0,0|1,0,0]=3 518 B10R0.96 CN(C)NC(=O)CCC(=O)O CNP0506194.0 [0,2,0,0,0,0|2,0,0]=4 519 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,1]=3 522 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [1,0,0,1,0,0|2,0,0]=4 523 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [1,0,0,1,0,0|2,0,0]=4 524 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,0,0,1,0,0|1,0,1]=4 525 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,0]=3 526 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,0,0,1,0,0|1,0,1]=4 527 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [1,0,0,1,0,0|1,0,1]=4 528 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|1,0,1]=4 529 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|1,0,1]=4 530 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|2,0,0]=4 531 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [1,0,0,1,0,0|1,0,1]=4 532 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [1,0,0,1,0,0|0,0,2]=4 533 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [1,0,0,1,0,0|1,0,0]=3 534 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,0,0,1,0,0|0,0,0]=2 535 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [1,0,0,1,0,0|2,0,0]=4 536 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|1,0,1]=4 537 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [1,0,0,1,0,0|1,0,1]=4 538 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|1,0,1]=4 539 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [1,0,0,1,0,0|1,0,1]=4 540 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|0,0,1]=3 541 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,1,0,0|1,0,0]=3 542 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [1,0,0,1,0,0|2,0,0]=4 543 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [1,0,0,1,0,0|1,0,0]=3 544 B8R1.50 CN1C(=O)CNC1=O CNP0217683.0 [1,0,0,1,0,0|2,0,0]=4 545 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [1,0,0,1,0,0|2,0,0]=4 546 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,0,0,1,0,0|2,0,0]=4 547 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|1,0,0]=3 548 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,1]=4 549 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,1]=4 550 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [1,0,0,1,0,0|2,0,0]=4 551 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,0,0,1,1,0|2,0,0]=4 552 B8R1.18 CN1CC(=O)NC1=O CNP0220202.0 [0,0,0,1,1,0|2,0,0]=4 553 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,0,0,1,1,0|2,0,0]=4 554 B10R1.13 C=C(C)C1CCC(=O)CC1 CNP0563054.0 [0,0,0,1,0,1|2,0,0]=4 555 B10R1.13 C=C1CCC(CC1)C(=O)C CNP0061704.0 [0,0,0,1,0,1|2,0,0]=4 556 B10R1.13 CC(=O)C1=CNC(=O)CC1 CNP0234990.0 [0,0,0,1,0,1|1,0,1]=4 557 B10R1.13 CC(=O)N1CCC(=O)CC1 CNP0046291.0 [0,0,0,1,0,1|1,0,0]=3 558 B10R1.13 CC(=O)[C@@H]1CC=C(CC1)C CNP0292588.1 [0,0,0,1,0,1|2,0,0]=4 559 B10R1.13 CC(=O)[C@H]1CC=C(CC1)C CNP0292588.2 [0,0,0,1,0,1|2,0,0]=4 560 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 CNP0187318.1 [0,0,0,1,0,1|2,0,0]=4 561 B10R1.14 COC(=O)C1=CCC(=O)N1 CNP0609465.0 [0,0,0,1,0,1|1,0,1]=4 562 B10R1.14 COC(=O)[C@@H]1CCC(=N1)O CNP0499878.1 [0,0,0,1,0,1|1,0,1]=4 563 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CNP0373996.2 [0,0,0,1,0,1|1,0,0]=3 564 B10R1.14 COC(=O)[C@@H]1CS[S@@+](C1)[O-] CNP0482624.1 [0,0,0,1,0,1|1,0,1]=4 565 B10R1.14 COC(=O)[C@@H]1CS[S@@H+](C1)[O-] CNP0496688.1 [0,0,0,1,0,1|1,0,1]=4 566 B10R1.14 COC(=O)[C@H]1CCC(=N1)O CNP0499878.2 [0,0,0,1,0,1|1,0,1]=4 567 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CNP0373996.1 [0,0,0,1,0,1|1,0,0]=3 568 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O CNP0033658.1 [0,0,0,1,0,1|0,0,2]=4 569 B10R1.54 CC(=O)O[C@H]1CNC(=O)C1 CNP0109144.1 [0,0,0,1,0,1|1,0,0]=3 570 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [0,0,0,1,0,1|2,0,0]=4 571 B10R1.54 O=C(O)C[C@H]1COC(=O)C1 CNP0303223.1 [0,0,0,1,0,1|1,0,0]=3 572 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@H]1C CNP0176461.1 [0,0,0,1,0,1|1,0,0]=3 573 B10R1.194 CC1C(=O)CC[C@H]1C(=O)O CNP0156871.3 [0,0,0,1,0,1|2,0,0]=4 574 B10R1.194 C[C@@H]1C(=O)CC[C@@H]1C(=O)O CNP0156871.2 [0,0,0,1,0,1|2,0,0]=4 575 B10R1.194 C[C@@H]1C(=O)CC[C@H]1C(=O)O CNP0156871.1 [0,0,0,1,0,1|2,0,0]=4 576 B10R1.194 C[C@H]1C(=O)CC[C@@H]1C(=O)O CNP0156871.4 [0,0,0,1,0,1|2,0,0]=4 577 B10R1.194 C[C@H]1C(=O)OC[C@@H]1C(=O)O CNP0122387.1 [0,0,0,1,0,1|2,0,0]=4 578 B10R1.197 COC1=CCCC(=O)CC1 CNP0219290.0 [0,0,0,1,0,1|1,0,0]=3 579 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,1,0,0|0,0,2]=4 580 B10R1.470 O=C1C[C@](CO1)(O)C(=O)O CNP0159921.1 [0,1,0,1,0,0|1,0,0]=3 581 B10R1.64 CC(=O)NC1SCCC1=O CNP0498587.0 [0,1,0,1,0,0|2,0,0]=4 582 B10R1.64 CC(=O)N[C@@H]1CCSC1=O CNP0583672.2 [0,1,0,1,0,0|1,1,0]=4 583 B10R1.64 CC(=O)N[C@@H]1CON=C1O CNP0479969.1 [0,1,0,1,0,0|1,0,1]=4 584 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,1,0,1,0,0|1,0,0]=3 585 B10R1.64 CC(=O)N[C@H]1CCSC1=O CNP0583672.1 [0,1,0,1,0,0|1,1,0]=4 586 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,1,0,1,0,0|2,0,0]=4 587 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,1,0,1,0,0|2,0,0]=4 588 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,1,0,1,0,0|2,0,0]=4 589 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,1,0,1,0,0|2,0,0]=4 590 B10R1.107 CC(=O)N[C@@H]1C(=O)O[C@@H]1C CNP0213056.1 [0,1,0,1,0,0|1,0,0]=3 591 B10R1.107 CC(=O)N[C@H]1C(=O)O[C@H]1C CNP0213056.2 [0,1,0,1,0,0|1,0,0]=3 592 B10R1.330 O=C1CCC(=O)CC(C1)O CNP0144196.0 [0,1,0,1,0,0|1,0,0]=3 593 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,0,0,0,1,0|1,0,0]=3 594 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [1,0,0,0,1,0|1,0,1]=4 595 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,0,0,0,1,0|0,0,2]=4 596 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,0,0,0,1,0|1,0,1]=4 597 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,0,0,0,1,0|0,0,2]=4 598 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,0,0,1,0|1,0,1]=4 599 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,0,0,0,1,0|1,0,0]=3 600 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,0,0,1,0|1,0,1]=4 601 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,0,0,0,1,0|0,0,2]=4 602 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,0,0,0,1,0|0,0,0]=2 603 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,0,0,0,1,0|1,0,0]=3 604 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,0,0,0,1,0|0,0,0]=2 605 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,0,0,1,0|1,0,1]=4 606 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,0,0,0,1,0|0,0,2]=4 607 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,0,0,0,1,0|0,0,2]=4 608 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [1,0,0,0,1,0|1,0,0]=3 609 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [1,0,0,0,1,0|2,0,0]=4 610 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,0,0,0,1,0|1,0,0]=3 611 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [1,0,0,0,1,0|1,0,0]=3 612 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,0,0,0,1,0|2,0,0]=4 613 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,0,0,0,1,0|1,0,1]=4 614 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,0,0,0,1,0|0,0,2]=4 615 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,0,0,0,1,0|1,0,1]=4 616 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,0,0,0,1,0|0,0,2]=4 617 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,0,0,0,1,0|1,0,1]=4 618 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,0,0,0,1,0|1,0,1]=4 619 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,0,0,0,1,0|2,0,0]=4 620 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [1,0,0,0,1,0|2,0,0]=4 621 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [1,0,0,0,1,0|1,0,0]=3 622 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [1,0,0,0,1,0|2,0,0]=4 623 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [1,0,0,0,1,0|2,0,0]=4 624 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,0,0,0,1,0|1,0,0]=3 625 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,0,0,0,2,0|1,0,0]=3 626 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,0,0,0,2,0|1,0,1]=4 627 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,0,0,2,0|2,0,0]=4 628 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,0,0,2,0|1,0,0]=3 629 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,0,0,0,2,0|2,0,0]=4 630 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,0,0,0,2,0|2,0,0]=4 631 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,0,0,0,2,0|0,0,0]=2 632 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,0,0,0,2,0|1,0,0]=3 633 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,0,0,0,2,0|1,0,0]=3 634 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,0,0,0,2,0|1,0,1]=4 635 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,0,0,0,2,0|1,0,1]=4 636 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,0,0,0,2,0|0,0,2]=4 637 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,0,0,0,2,0|1,0,1]=4 638 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,0,0,0,2,0|0,0,2]=4 639 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,0,0,0,2,0|1,0,1]=4 640 B10R0.55 C=CC(=O)CCCOC(=O)C CNP0357217.0 [0,0,0,0,0,2|1,0,1]=4 641 B10R0.55 CC(=O)OCCCC(=O)CO CNP0357573.0 [0,0,0,0,0,2|2,0,0]=4 642 B10R0.55 CCC(=O)CCC=CC(=O)C CNP0534993.0 [0,0,0,0,0,2|1,0,0]=3 643 B10R0.55 COC(=O)CC=COC(=O)C CNP0064090.0 [0,0,0,0,0,2|0,0,1]=3 644 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,0,0,0,0,2|0,0,0]=2 645 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,0,0,0,0,2|1,0,0]=3 646 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,0,0,0,0,2|1,0,1]=4 647 B10R0.55 COC(=O)CCCNC(=N)N CNP0188338.0 [0,0,0,0,0,2|2,0,0]=4