0 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.6 CC(=O)NNC(=O)N CNP0300547.0 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,0,0,0,0,0|1,0,1]=2 20 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.6 N=C(N)NCC(=O)O CNP0177921.0 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.6 N=C(O)C=CC(=O)O CNP0546682.0 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.6 NC(=CC=C(N)O)O CNP0445751.0 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.6 NC(=NCC(=O)O)N CNP0491691.0 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.6 NC(=O)C#CC(=O)N CNP0111468.0 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.6 NC(=O)C=CC(=O)N CNP0214096.0 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,0,0,0,0,0|1,0,2]=3 35 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,0,0,0,0,0|1,0,0]=1 37 B7R0.6 NC(=O)N=NC(=O)N CNP0081464.0 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.6 O=C(Cl)CC[N+](=O)[O-] CNP0468600.0 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.6 O=C(O)C#CC(=O)O CNP0197927.0 [0,0,0,0,0,0|0,0,2]=2 43 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [0,0,0,0,0,0|0,0,2]=2 44 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,0,0,0,0,0|0,0,0]=0 45 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [0,0,0,0,0,0|1,0,1]=2 46 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,0,0,0,0,0|1,0,0]=1 47 B7R0.6 O=C(O)CN[N+](=O)[O-] CNP0570107.0 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [0,0,0,0,0,0|0,0,3]=3 49 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0497869.0 [0,0,0,0,0,0|0,0,4]=4 50 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0507497.0 [0,0,0,0,0,0|0,0,4]=4 51 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0533924.0 [0,0,0,0,0,0|0,0,4]=4 52 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0554203.0 [0,0,0,0,0,0|0,0,4]=4 53 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0574790.0 [0,0,0,0,0,0|0,0,4]=4 54 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [0,0,0,0,0,0|0,0,2]=2 55 B6R0.4 C#CNCC(=O)O CNP0073758.0 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.4 N=C(N)NCC=O CNP0478435.0 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,0,0,0,0|1,0,1]=3 84 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,0,0,0,0|1,0,1]=3 85 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,0,0,0,0|0,0,3]=4 86 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|0,0,1]=2 87 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,0,0,0,0|0,0,2]=3 88 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|0,0,0]=1 89 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [1,0,0,0,0,0|1,0,2]=4 91 B8R0.9 C=CC(=O)NCC(=O)O CNP0077507.0 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,0,0,0,0|3,0,0]=4 97 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,0,0,0,0|3,0,0]=4 102 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,1,0,0,0,0|3,0,0]=4 106 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,1,0,0,0,0|1,0,2]=4 107 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,1,0,0,0,0|0,0,2]=3 108 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,1,0,0,0,0|0,0,0]=1 112 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,1,0,0,0,0|2,0,0]=3 114 B8R0.9 COC(=O)NNC(=O)N CNP0304679.0 [0,1,0,0,0,0|3,0,0]=4 115 B8R0.9 N#CC(N)CCC(=O)O CNP0028484.0 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,1,0,0,0,0|1,0,0]=2 117 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,1,0,0,0,0|2,0,0]=3 118 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,1,0,0,0,0|0,0,0]=1 123 B8R0.9 O=C(O)CCC(=O)NO CNP0136196.0 [0,1,0,0,0,0|0,0,0]=1 124 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,1,0,0,0,0|0,0,2]=3 125 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,1,0,0,0,0|0,0,1]=2 126 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl CNP0326877.0 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.23 C=C(CC(=O)N)C(=O)N CNP0145469.0 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.23 C=C(CC(=O)O)C(=O)O CNP0269442.0 [0,1,0,0,0,0|0,0,1]=2 129 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O CNP0106223.1 [0,1,0,0,0,0|2,0,0]=3 130 B8R0.23 C=C(Cl)[C@H](O)CC(=O)N CNP0072044.1 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.23 CC(=CC(=O)N)C(=O)O CNP0166908.0 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,1,0,0,0,0|0,0,2]=3 133 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,1,0,0,0,0|1,0,0]=2 137 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.23 CC(=O)OC(C)C(=O)Cl CNP0312300.0 [0,1,0,0,0,0|3,0,0]=4 140 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,0,0|3,0,0]=4 141 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,1,0,0,0,0|1,0,0]=2 143 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.23 CC(NC(=N)N)C(=O)O CNP0082989.0 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,1,0,0,0,0|1,0,1]=3 151 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,1,0,0,0,0|1,0,2]=4 152 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.23 CN(CC(=O)O)C(=N)N CNP0156562.0 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.23 CN(CC(=O)O)C(=O)N CNP0548599.0 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.23 CN(CC(=O)O)C(=S)S CNP0495623.0 [0,1,0,0,0,0|1,2,0]=4 156 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,1,0,0,0,0|0,0,0]=1 157 B8R0.23 C[C@@H](NC(=O)N)C(=O)O CNP0369812.2 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,1,0,0,0,0|1,0,1]=3 159 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,1,0,0,0,0|1,0,1]=3 160 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,1,0,0,0,0|0,0,0]=1 161 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.23 C[C@H](NC(=O)N)C(=O)O CNP0369812.1 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,1,0,0,0,0|1,0,1]=3 165 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,1,0,0,0,0|2,0,0]=3 173 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,1,0,0,0,0|2,0,0]=3 174 B8R0.23 N=C(CC(=O)O)C(=O)O CNP0417649.0 [0,1,0,0,0,0|0,0,1]=2 175 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,1,0,0,0,0|1,0,0]=2 176 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,1,0,0,0,0|1,0,0]=2 177 B8R0.23 NC(=O)NC(=O)C(=O)O CNP0197878.0 [0,1,0,0,0,0|2,0,1]=4 178 B8R0.23 NC(=O)N[C@@H](O)C(=O)O CNP0085588.2 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.23 NC(=O)N[C@H](N)C(=O)O CNP0313342.1 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.23 NC(=O)N[C@H](O)C(=O)O CNP0085588.1 [0,1,0,0,0,0|2,0,0]=3 181 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,1,0,0,0,0|1,0,0]=2 182 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,1,0,0,0,0|0,0,1]=2 183 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,1,0,0,0,0|0,0,1]=2 184 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] CNP0541821.0 [0,1,0,0,0,0|0,0,2]=3 185 B8R0.23 NC(CS(=O)=O)C(=O)O CNP0422129.0 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,1,0,0,0,0|1,0,0]=2 187 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,1,0,0,0,0|0,0,0]=1 188 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,1,0,0,0,0|0,0,0]=1 189 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,1,0,0,0,0|1,0,0]=2 191 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,1,0,0,0,0|1,0,0]=2 192 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,1,0,0,0,0|1,0,0]=2 193 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,1,0,0,0,0|1,0,0]=2 194 B8R0.23 N[C@@H](C[S](=O)=O)C(=O)O CNP0002376.1 [0,1,0,0,0,0|1,0,1]=3 195 B8R0.23 N[C@@H](C[SeH](=O)=O)C(=O)O CNP0497016.1 [0,1,0,0,0,0|1,0,1]=3 196 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,1,0,0,0,0|0,0,0]=1 197 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,1,0,0,0,0|1,0,0]=2 198 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,1,0,0,0,0|1,0,0]=2 199 B8R0.23 O=C(O)C(=O)CP(=O)=O CNP0343422.0 [0,1,0,0,0,0|1,0,2]=4 200 B8R0.23 O=C(O)C(=O)CS(=O)O CNP0083680.0 [0,1,0,0,0,0|1,0,1]=3 201 B8R0.23 O=C(O)C=C(O)C(=O)O CNP0279115.0 [0,1,0,0,0,0|0,0,2]=3 202 B8R0.23 O=C(O)CC(=O)C(=O)O CNP0390338.0 [0,1,0,0,0,0|0,0,1]=2 203 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,1,0,0,0,0|0,0,0]=1 204 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,1,0,0,0,0|0,0,0]=1 205 B8R0.23 O=C(O)CN(O)C(=O)O CNP0547380.0 [0,1,0,0,0,0|1,0,0]=2 206 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,1,0,0,0,0|0,0,0]=1 207 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,1,0,0,0,0|0,0,0]=1 208 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,1,0,0,0,0|0,0,0]=1 209 B8R0.23 O=C(O)[C@H](O)C=C(O)O CNP0478842.1 [0,1,0,0,0,0|0,0,2]=3 210 B8R0.23 O=C([Na])C[C@@H](O)C(=O)[Na] CNP0467255.1 [0,1,0,0,0,0|2,0,0]=3 211 B8R0.23 O=C([O-])CC(O)C(=O)O CNP0534895.0 [0,1,0,0,0,0|0,0,1]=2 212 B8R0.23 O=C([O-])CC([S-])C(=O)[O-] CNP0547285.0 [0,1,0,0,0,0|0,0,2]=3 213 B8R0.29 CC(=O)CCS(=O)(=O)C CNP0178964.0 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.29 CS(=O)(=O)CCC(=O)O CNP0352253.0 [0,1,0,0,0,0|1,0,1]=3 215 B8R0.29 O=C(O)CCP(=O)(O)O CNP0502443.0 [0,1,0,0,0,0|1,0,0]=2 216 B8R0.29 O=C(O)CCS(=O)(=O)O CNP0551286.0 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.29 O=C(O)COP(=O)(O)O CNP0359504.0 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,1,0,0|3,0,0]=4 219 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,0,0,1,0,0|2,0,0]=3 221 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,0,0,1,0,0|1,0,2]=4 222 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,1,0,0|2,0,0]=3 223 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,0,0|1,0,0]=2 224 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.3 OC1=NCC(=NC1)O CNP0546971.0 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [0,0,0,1,0,0|2,0,0]=3 227 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,0,0,1,0|3,0,0]=4 228 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,0,0,0,1,0|2,0,0]=3 229 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,0,0,0,1,0|1,0,0]=2 230 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,0,0,1,0|2,0,1]=4 231 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,0,0,0,1,0|1,0,1]=3 232 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,0,0,1,0|3,0,0]=4 233 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,0,0,1,0|2,0,1]=4 234 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,1,0|2,0,0]=3 235 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,0,0,0,1,0|2,0,0]=3 236 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,0,0,0,1,0|1,0,0]=2 237 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,1,0|2,0,1]=4 238 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,1,0|2,0,1]=4 239 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,0,0,1,0|3,0,0]=4 240 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,0,0,0,1,0|3,0,0]=4 241 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,0,0,1,0|3,0,0]=4 242 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,0,0,1,0|3,0,0]=4 243 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,0,0,1,0|2,0,1]=4 244 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,0,0,1,0|3,0,0]=4 245 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,0,0,1,0|2,0,1]=4 246 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,1,0|1,0,1]=3 247 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,0,0,1,0|2,0,1]=4 248 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,1,0|1,0,1]=3 249 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,0,0,1,0|2,0,1]=4 250 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,0,0,1,0|2,0,1]=4 251 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,0,0,1,0|3,0,0]=4 252 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,0,0,0,1,0|2,0,0]=3 253 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,0,0,0,1,0|1,0,0]=2 254 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,0,0,0,1,0|2,0,0]=3 255 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,0,0,0,1,0|2,0,0]=3 256 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,0,0,0,1,0|2,0,1]=4 257 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,0,0,0,1,0|2,0,1]=4 258 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,0,0,0,1,0|2,0,1]=4 259 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,0,0,0,1,0|0,0,0]=1 260 B6R0.2 O=S(O)OS(=O)O CNP0441675.0 [0,0,0,0,1,0|3,0,0]=4 261 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,0,0,0,0,1|3,0,0]=4 262 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,0,0,0,0,1|3,0,0]=4 263 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,0,0,0,0,1|3,0,0]=4 264 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,0,0,0,0,1|2,0,0]=3 265 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,0,0,0,0,1|1,0,0]=2 266 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,0,0,0,0,1|2,0,0]=3 267 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,0,0,0,0,1|1,0,0]=2 268 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,0,0,0,0,1|2,0,1]=4 269 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,0,0,0,0,1|1,0,2]=4 270 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,0,0,0,0,1|3,0,0]=4 271 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,0,0,0,0,1|1,0,1]=3 272 B8R0.28 N=C(N)NCCC(=O)O CNP0480617.0 [0,0,0,0,0,1|2,0,0]=3 273 B8R0.28 NC(=NCCC(=O)O)N CNP0139818.0 [0,0,0,0,0,1|2,0,0]=3 274 B8R0.28 NC(=O)CCCC(=O)N CNP0251512.0 [0,0,0,0,0,1|2,0,0]=3 275 B8R0.28 NC(=O)NC=CC(=O)O CNP0395039.0 [0,0,0,0,0,1|1,0,2]=4 276 B8R0.28 NC(=O)NCCC(=O)O CNP0350035.0 [0,0,0,0,0,1|1,0,0]=2 277 B8R0.28 NC(=O)NCNC(=O)O CNP0206621.0 [0,0,0,0,0,1|2,0,0]=3 278 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,0,0,0,0,1|0,0,1]=2 279 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,0,0,0,0,1|0,0,0]=1 280 B8R0.28 O=C(O)CCO[N+](=O)[O-] CNP0488226.0 [0,0,0,0,0,1|1,0,1]=3 281 B8R0.28 O=C(O)CNCC(=O)O CNP0080016.0 [0,0,0,0,0,1|0,0,0]=1 282 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [0,0,0,0,0,1|0,0,0]=1 283 B8R0.28 O=C(O)CSCC(=O)O CNP0310100.0 [0,0,0,0,0,1|0,0,0]=1 284 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|0,0,2]=4 285 B5R0.1 C=C(Br)CCO CNP0595001.0 [2,0,0,0,0,0|2,0,0]=4 286 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,1]=4 288 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|1,0,1]=4 289 B5R0.1 C=CCC(=O)N CNP0292806.0 [2,0,0,0,0,0|1,0,1]=4 290 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,1]=3 291 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,0]=3 292 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|1,1,0]=4 293 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|1,0,1]=4 294 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|1,0,1]=4 295 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,1]=4 296 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,1]=3 297 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,2]=4 298 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,1]=4 299 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,1]=4 300 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,1]=4 301 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,1]=4 302 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,1]=4 303 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|1,0,1]=4 304 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [2,0,0,0,0,0|1,0,1]=4 305 B5R0.1 C[C@H](O)CCO CNP0110972.1 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,1]=4 307 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,1]=4 308 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 309 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 310 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 311 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 313 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 314 B5R0.1 O=C(O)C=CBr CNP0310992.0 [2,0,0,0,0,0|1,0,1]=4 315 B5R0.1 O=C(O)C=CCl CNP0293481.0 [2,0,0,0,0,0|1,0,1]=4 316 B5R0.1 O=C(O)C=CI CNP0239582.0 [2,0,0,0,0,0|1,0,1]=4 317 B5R0.1 O=C(O)C=NO CNP0286362.0 [2,0,0,0,0,0|1,0,1]=4 318 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|0,0,0]=2 319 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|0,1,0]=3 320 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|0,0,0]=2 322 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [2,0,0,0,0,0|1,0,1]=4 323 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|1,0,1]=4 324 B5R0.2 C=CCCC=C CNP0079781.0 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|1,0,1]=4 327 B5R0.2 C=CCOC=O CNP0541341.0 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|1,0,1]=4 329 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|1,0,1]=4 330 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.2 N#CCCC=O CNP0181263.0 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|1,0,1]=4 333 B5R0.2 O=CCCC=O CNP0053830.0 [2,0,0,0,0,0|0,0,0]=2 334 B5R0.2 OCCCCO CNP0080008.0 [2,0,0,0,0,0|0,0,2]=4 335 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [1,1,0,0,0,0|1,0,0]=3 336 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [1,1,0,0,0,0|2,0,0]=4 337 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,1,0,0,0,0|0,0,1]=3 338 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|1,0,1]=4 340 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|1,0,1]=4 341 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [1,1,0,0,0,0|1,0,1]=4 343 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [1,1,0,0,0,0|1,0,1]=4 344 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,1,0,0,0,0|1,0,1]=4 345 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,1,0,0,0,0|1,0,1]=4 347 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,1,0,0,0,0|0,1,1]=4 349 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,1,0,0,0,0|0,0,0]=2 350 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,1,0,0,0,0|0,0,1]=3 351 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,1,0,0,0,0|0,0,1]=3 352 B7R0.2 O=CN(O)CC(=O)O CNP0278033.0 [1,1,0,0,0,0|1,0,0]=3 353 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [1,1,0,0,0,0|2,0,0]=4 354 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,1,0,0,0,0|1,0,0]=3 355 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,1,0,0,0,0|0,0,0]=2 358 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,1,0,0,0,0|2,0,0]=4 359 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,1,0,0,0,0|1,0,0]=3 361 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,1,0,0,0,0|1,0,0]=3 362 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,1,0,0,0,0|1,0,0]=3 363 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,1,0,0,0,0|1,0,0]=3 364 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,1,0,0,0,0|1,0,1]=4 366 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|1,0,1]=4 367 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|1,0,1]=4 368 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,1,0,0,0,0|1,0,1]=4 370 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,1,0,0,0,0|1,0,1]=4 371 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,1,0,0,0,0|1,0,1]=4 372 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,1,0,0,0,0|1,0,1]=4 373 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,1,0,0,0,0|1,0,1]=4 375 B7R0.4 NN=CNCC(=O)O CNP0018426.0 [1,1,0,0,0,0|2,0,0]=4 376 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,1,0,0,0,0|0,0,1]=3 377 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,1,0,0,0,0|0,0,1]=3 378 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,1,0,0,0,0|0,0,0]=2 379 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [1,1,0,0,0,0|1,0,1]=4 380 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [1,1,0,0,0,0|1,0,1]=4 381 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,1,0,0,0,0|0,0,2]=4 382 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,1,0,0,0,0|1,0,0]=3 383 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,1,0,0,0,0|1,0,0]=3 384 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,1,0,0,0,0|1,0,0]=3 385 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,1,0,0,0,0|1,0,1]=4 386 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,1,0,0,0,0|1,0,1]=4 387 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,1,0,0,0,0|1,0,1]=4 388 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,1,0,0,0,0|1,0,1]=4 389 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,1,0,0,0,0|1,0,1]=4 390 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,1,0,0,0,0|2,0,0]=4 392 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,1,0,0,0,0|2,0,0]=4 393 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,1,0,0,0,0|1,0,1]=4 397 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,1,0,0,0,0|2,0,0]=4 398 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [1,1,0,0,0,0|1,0,1]=4 399 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [1,1,0,0,0,0|1,0,0]=3 401 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,1,0,0,0,0|1,0,1]=4 403 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [1,1,0,0,0,0|2,0,0]=4 404 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,1,0,0,0,0|0,0,0]=2 405 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,1,0,0,0,0|0,0,1]=3 406 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,1,0,0,0,0|0,1,1]=4 407 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,1,0,0,0,0|0,1,1]=4 408 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [1,1,0,0,0,0|1,0,0]=3 409 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [1,1,0,0,0,0|1,1,0]=4 410 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [1,1,0,0,0,0|1,1,0]=4 411 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [1,1,0,0,0,0|1,0,0]=3 412 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,1,0,0,0,0|0,0,0]=2 413 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,1,0,0,0,0|0,0,1]=3 414 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,1,0,0,0,0|0,1,1]=4 415 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [1,1,0,0,0,0|1,1,0]=4 416 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,1,0,0,0,0|0,0,2]=4 417 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,1,0,0,0,0|0,0,1]=3 418 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [1,1,0,0,0,0|0,0,1]=3 419 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,1,0,0,1,0|1,0,1]=4 420 B7R0.9 O=C(O)CP(=O)(O)O CNP0167519.0 [0,1,0,0,1,0|1,0,0]=3 421 B7R0.9 O=C(O)CS(=O)(=O)O CNP0082810.0 [0,1,0,0,1,0|1,0,0]=3 422 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,1,0,0,1,0|1,0,1]=4 423 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,1,0,0,1,0|2,0,0]=4 424 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,1,0|1,0,0]=3 425 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,1,0|1,0,0]=3 426 B7R0.16 CC(C(=O)N)C(=O)N CNP0110933.0 [0,1,0,0,1,0|2,0,0]=4 427 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,1,0,0,1,0|0,0,0]=2 428 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,1,0,0,1,0|1,0,0]=3 429 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,1,0,0,1,0|1,0,1]=4 430 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,0,0,1,0|1,0,1]=4 431 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,1,0,0,1,0|1,0,1]=4 432 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,1,0,0,1,0|1,0,1]=4 433 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,1,0,0,1,0|1,0,1]=4 434 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,1,0,0,1,0|1,0,1]=4 435 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,0,0,1,0|1,0,1]=4 436 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,0,0,1,0|1,0,1]=4 437 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,1,0,0,1,0|1,0,1]=4 438 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,0,0,1,0|1,0,1]=4 439 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,1,0,0,1,0|1,0,1]=4 440 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,1,0,0,1,0|0,0,0]=2 441 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,1,0,0,1,0|0,0,1]=3 442 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,1,0,0,1,0|0,0,0]=2 443 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [0,1,0,0,0,1|2,0,0]=4 444 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,1,0,0,0,1|1,0,0]=3 445 B9R0.1 COC(=O)CCCC(=O)Cl CNP0360552.0 [0,1,0,0,0,1|1,0,0]=3 446 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,1,0,0,0,1|0,0,0]=2 447 B9R0.1 COC(=O)CONC(=O)C CNP0170381.0 [0,1,0,0,0,1|2,0,0]=4 448 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,1,0,0,0,1|2,0,0]=4 449 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,1,0,0,0,1|2,0,0]=4 450 B9R0.7 C=C(CCC(=O)O)C(=O)O CNP0610121.0 [0,1,0,0,0,1|0,0,0]=2 451 B9R0.7 C=C(Cl)CC[C@@H](N)C(=O)O CNP0253011.1 [0,1,0,0,0,1|2,0,0]=4 452 B9R0.7 C=C(Cl)CC[C@H](N)C(=O)O CNP0253011.2 [0,1,0,0,0,1|2,0,0]=4 453 B9R0.7 CC(=CCC(=O)O)C(=O)O CNP0023661.0 [0,1,0,0,0,1|0,0,1]=3 454 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,1,0,0,0,1|2,0,0]=4 455 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,1,0,0,0,1|1,0,0]=3 456 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,1,0,0,0,1|1,0,0]=3 457 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,1,0,0,0,1|1,0,0]=3 458 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,1,0,0,0,1|1,0,0]=3 459 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,1,0,0,0,1|1,0,0]=3 460 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,1,0,0,0,1|1,0,0]=3 461 B9R0.7 CC(=O)[C@@H](C)CCC(=O)O CNP0449435.1 [0,1,0,0,0,1|1,0,0]=3 462 B9R0.7 CC(=O)[C@H](C)CCC(=O)O CNP0449435.2 [0,1,0,0,0,1|1,0,0]=3 463 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,1,0,0,0,1|0,0,0]=2 464 B9R0.7 CC(CNC(=O)N)C(=O)O CNP0374758.0 [0,1,0,0,0,1|1,0,0]=3 465 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,1,0,0,0,1|1,0,1]=4 466 B9R0.7 C[C@@H](O)C(=O)CCC(=O)O CNP0134105.1 [0,1,0,0,0,1|1,0,1]=4 467 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CNP0313110.1 [0,1,0,0,0,1|0,0,0]=2 468 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,1,0,0,0,1|1,0,1]=4 469 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,1,0,0,0,1|2,0,0]=4 470 B9R0.7 NC(=O)CCC(=O)C(=O)O CNP0032107.0 [0,1,0,0,0,1|1,0,0]=3 471 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CNP0361973.2 [0,1,0,0,0,1|1,0,0]=3 472 B9R0.7 NC(=O)CC[C@H](N)C(=O)N CNP0387642.1 [0,1,0,0,0,1|2,0,0]=4 473 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CNP0361973.1 [0,1,0,0,0,1|1,0,0]=3 474 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O CNP0532146.2 [0,1,0,0,0,1|1,0,0]=3 475 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CNP0532146.1 [0,1,0,0,0,1|1,0,0]=3 476 B9R0.7 NC(=O)OC[C@@H](N)C(=O)O CNP0393327.1 [0,1,0,0,0,1|1,0,0]=3 477 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CNP0595376.1 [0,1,0,0,0,1|1,0,0]=3 478 B9R0.7 NC(CCC(=O)O)C(=O)[O-] CNP0535517.0 [0,1,0,0,0,1|0,0,1]=3 479 B9R0.7 NC(CCS(=O)O)C(=O)O CNP0027333.0 [0,1,0,0,0,1|1,0,0]=3 480 B9R0.7 NC(CC[P+](=O)O)C(=O)O CNP0250837.0 [0,1,0,0,0,1|1,0,0]=3 481 B9R0.7 NC(CNC(=O)O)C(=O)O CNP0158277.0 [0,1,0,0,0,1|0,0,0]=2 482 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CNP0191057.1 [0,1,0,0,0,1|0,0,0]=2 483 B9R0.7 N[C@@H](CCP(=O)O)C(=O)O CNP0424644.2 [0,1,0,0,0,1|1,0,0]=3 484 B9R0.7 N[C@@H](CC[P@@H](=O)O)C(=O)O CNP0424644.1 [0,1,0,0,0,1|1,0,0]=3 485 B9R0.7 N[C@@H](CN[N+](=O)[O-])C(=O)O CNP0526957.1 [0,1,0,0,0,1|1,0,1]=4 486 B9R0.7 N[C@@H](CS[As](O)O)C(=O)O CNP0546239.1 [0,1,0,0,0,1|1,0,1]=4 487 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CNP0191057.2 [0,1,0,0,0,1|0,0,0]=2 488 B9R0.7 O=C(O)C(=O)CC[P@@H](=O)O CNP0360014.1 [0,1,0,0,0,1|1,0,0]=3 489 B9R0.7 O=C(O)C(=O)CC[PH+]([O-])O CNP0610320.0 [0,1,0,0,0,1|1,0,1]=4 490 B9R0.7 O=C(O)CCC(=O)C(=O)O CNP0115442.0 [0,1,0,0,0,1|0,0,0]=2 491 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O CNP0156996.1 [0,1,0,0,0,1|0,0,0]=2 492 B9R0.7 O=C(O)CC[C@H](O)C(=O)O CNP0156996.2 [0,1,0,0,0,1|0,0,0]=2 493 B9R0.7 O=C([O-])CCC(=O)C(=O)O CNP0505801.0 [0,1,0,0,0,1|0,0,1]=3 494 B9R0.53 CC(=CC(=O)O)CC(=O)O CNP0273372.0 [0,1,0,0,0,1|0,0,1]=3 495 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,1,0,0,0,1|2,0,0]=4 496 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,1,0,0,0,1|1,0,0]=3 497 B9R0.53 CC(CC(=O)O)CC(=O)O CNP0316583.0 [0,1,0,0,0,1|0,0,0]=2 498 B9R0.53 C[C@@H](CC(=O)O)O[N+](=O)[O-] CNP0602674.2 [0,1,0,0,0,1|1,0,1]=4 499 B9R0.53 C[C@H](CC(=O)O)O[N+](=O)[O-] CNP0602674.1 [0,1,0,0,0,1|1,0,1]=4 500 B9R0.53 NC(CC(=O)O)CC(=O)O CNP0324847.0 [0,1,0,0,0,1|0,0,0]=2 501 B9R0.53 O=C(O)CC(=O)CC(=O)O CNP0280291.0 [0,1,0,0,0,1|0,0,0]=2 502 B9R0.53 O=C(O)CC(=O)C[N+](=O)[O-] CNP0495768.0 [0,1,0,0,0,1|1,0,1]=4 503 B9R0.53 O=C(O)CC(O)CC(=O)O CNP0395942.0 [0,1,0,0,0,1|0,0,0]=2 504 B9R0.56 CC(=O)NCCP(=O)(O)O CNP0381814.0 [0,1,0,0,0,1|2,0,0]=4 505 B9R0.56 CC(=O)NCCS(=O)(=O)O CNP0083041.0 [0,1,0,0,0,1|2,0,0]=4 506 B9R0.56 O=C(O)CNCP(=O)(O)O CNP0340108.0 [0,1,0,0,0,1|1,0,0]=3 507 B9R0.21 C=C(C=O)CCP(=O)(O)O CNP0489893.0 [0,2,0,0,0,0|2,0,0]=4 508 B9R0.21 COC(=O)CCS(=O)(=O)C CNP0017539.0 [0,2,0,0,0,0|1,0,1]=4 509 B9R0.21 O=C(CO)COP(=O)(O)O CNP0257378.0 [0,2,0,0,0,0|2,0,0]=4 510 B9R0.21 O=C(CO)COS(=O)(=O)O CNP0086985.0 [0,2,0,0,0,0|2,0,0]=4 511 B9R0.21 O=C(COP(=O)(O)O)NO CNP0591186.0 [0,2,0,0,0,0|2,0,0]=4 512 B9R0.21 O=CN(O)CCP(=O)(O)O CNP0524920.0 [0,2,0,0,0,0|2,0,0]=4 513 B9R0.23 COC(=O)C(=CC(=O)O)C CNP0215692.0 [0,2,0,0,0,0|0,0,2]=4 514 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [0,2,0,0,0,0|0,0,0]=2 515 B9R0.23 COC(=O)[C@@H](N)CC(=O)N CNP0041402.1 [0,2,0,0,0,0|1,0,0]=3 516 B9R0.23 COC(=O)[C@@H](O)CC(=O)C CNP0113476.2 [0,2,0,0,0,0|1,0,0]=3 517 B9R0.23 COC(=O)[C@H](N)CC(=O)N CNP0041402.2 [0,2,0,0,0,0|1,0,0]=3 518 B9R0.23 COC(=O)[C@H](O)CC(=O)C CNP0113476.1 [0,2,0,0,0,0|1,0,0]=3 519 B9R0.23 COC(=O)[C@H](O)CC(=O)O CNP0269332.1 [0,2,0,0,0,0|0,0,0]=2 520 B9R0.23 NC(CC(=O)O)C(=O)O[K+] CNP0611577.0 [0,2,0,0,0,0|0,0,0]=2 521 B9R0.23 N[C@H](CC(=O)O)C(=O)O[K+] CNP0611577.1 [0,2,0,0,0,0|0,0,0]=2 522 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO CNP0393490.1 [0,2,0,0,0,0|0,0,2]=4 523 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,2,0,0,0,0|2,0,0]=4 524 B9R0.24 COC(=O)C#CC(=O)OC CNP0341643.0 [0,2,0,0,0,0|0,0,2]=4 525 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [0,2,0,0,0,0|0,0,2]=4 526 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,2,0,0,0,0|1,0,0]=3 527 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,2,0,0,0,0|0,0,0]=2 528 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,2,0,0,0,0|0,0,0]=2 529 B9R0.24 COC(=O)NNC(=O)OC CNP0145555.0 [0,2,0,0,0,0|2,0,0]=4 530 B9R0.24 O=C(C=CC(=O)OCl)OCl CNP0202607.0 [0,2,0,0,0,0|0,0,2]=4 531 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O CNP0239105.1 [0,2,0,0,0,0|1,0,1]=4 532 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,2,0,0,0,0|2,0,0]=4 533 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,2,0,0,0,0|2,0,0]=4 534 B9R0.42 C=C(CC(=O)OC)C(=O)O CNP0268165.0 [0,2,0,0,0,0|0,0,1]=3 535 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,2,0,0,0,0|2,0,0]=4 536 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [0,2,0,0,0,0|1,0,0]=3 537 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,2,0,0,0,0|1,0,0]=3 538 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,2,0,0,0,0|1,0,1]=4 539 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [0,2,0,0,0,0|1,0,0]=3 540 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,2,0,0,0,0|0,0,0]=2 541 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,2,0,0,0,0|0,0,0]=2 542 B9R0.42 C[C@@H](NC(=O)CN)C(=O)O CNP0299268.2 [0,2,0,0,0,0|2,0,0]=4 543 B9R0.42 C[C@H](NC(=O)CN)C(=O)O CNP0299268.1 [0,2,0,0,0,0|2,0,0]=4 544 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,2,0,0,0,0|1,0,1]=4 545 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,2,0,0,0,0|1,0,1]=4 546 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,2,0,0,0,0|0,0,0]=2 547 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O CNP0289364.1 [0,2,0,0,0,0|0,0,0]=2 548 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O CNP0186686.1 [0,2,0,0,0,0|1,0,0]=3 549 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O CNP0264056.1 [0,2,0,0,0,0|0,0,1]=3 550 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,2,0,0,0,0|0,0,2]=4 551 B9R0.42 N[C@@H](C[N+](=NO)[O-])C(=O)O CNP0568394.1 [0,2,0,0,0,0|1,0,1]=4 552 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,2,0,0,0,0|0,0,2]=4 553 B9R0.48 C=CCC(=O)NCC(=O)O CNP0002379.0 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,2,0,0,0,0|2,0,0]=4 556 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,2,0,0,0,0|1,0,1]=4 557 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,2,0,0,0,0|1,0,1]=4 558 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,2,0,0,0,0|0,0,2]=4 559 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,2,0,0,0,0|1,0,0]=3 560 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,2,0,0,0,0|1,0,0]=3 561 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,2,0,0,0,0|0,0,0]=2 562 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,2,0,0,0,0|1,0,1]=4 563 B9R0.48 COCC(=O)NCC(=O)O CNP0277433.0 [0,2,0,0,0,0|1,0,0]=3 564 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [0,2,0,0,0,0|1,0,0]=3 565 B9R0.11 CC(=O)NC(C)(C)C(=O)O CNP0548833.0 [0,2,0,0,0,0|2,0,0]=4 566 B9R0.11 CC(=O)OC(C)(C)C(=O)O CNP0299656.0 [0,2,0,0,0,0|2,0,0]=4 567 B9R0.11 CC(C)(CC(=O)O)C(=O)O CNP0354982.0 [0,2,0,0,0,0|0,0,0]=2 568 B9R0.11 C[C@@](O)(CC(=O)O)C(=O)O CNP0272259.2 [0,2,0,0,0,0|0,0,0]=2 569 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CNP0128541.1 [0,2,0,0,0,0|0,0,0]=2 570 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O CNP0272259.1 [0,2,0,0,0,0|0,0,0]=2 571 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CNP0157865.1 [0,2,0,0,0,0|2,0,0]=4 572 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CNP0541980.2 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.39 CC(=O)N[C@H](CO)C(=O)O CNP0157865.2 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.39 CC(=O)N[C@H](CS)C(=O)O CNP0541980.1 [0,2,0,0,0,0|2,0,0]=4 575 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CNP0177941.1 [0,2,0,0,0,0|0,0,0]=2 576 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CNP0177941.2 [0,2,0,0,0,0|0,0,0]=2 577 B9R0.39 COC(=CC(=O)O)C(=O)O CNP0187597.0 [0,2,0,0,0,0|0,0,2]=4 578 B9R0.39 O=C(O)CC(=NO)C(=O)O CNP0331381.0 [0,2,0,0,0,0|0,0,1]=3 579 B9R0.39 O=C(O)CC(S[Au])C(=O)[O-] CNP0546891.0 [0,2,0,0,0,0|0,0,1]=3 580 B9R0.39 O=C(O)C[C@H](NO)C(=O)O CNP0495196.1 [0,2,0,0,0,0|0,0,0]=2 581 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,2,0,0,0,0|1,0,1]=4 582 B9R0.57 C[C@@H](OP(=O)(O)O)C(=O)O CNP0541755.1 [0,2,0,0,0,0|2,0,0]=4 583 B9R0.57 C[Se](=O)(=O)C[C@H](N)C(=O)O CNP0250364.1 [0,2,0,0,0,0|1,0,1]=4 584 B9R0.57 NC(=O)[C@@H](N)CS(=O)(=O)O CNP0330582.1 [0,2,0,0,0,0|2,0,0]=4 585 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O CNP0302280.1 [0,2,0,0,0,0|1,0,0]=3 586 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CNP0171540.1 [0,2,0,0,0,0|1,0,0]=3 587 B9R0.57 N[C@@H](C[Se](=O)(=O)O)C(=O)O CNP0178375.1 [0,2,0,0,0,0|1,0,0]=3 588 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O CNP0302280.2 [0,2,0,0,0,0|1,0,0]=3 589 B9R0.57 N[C@H](CS(=O)(=O)O)C(=O)O CNP0171540.2 [0,2,0,0,0,0|1,0,0]=3 590 B9R0.57 O=C(O)C(=O)CP(=O)(O)O CNP0170314.0 [0,2,0,0,0,0|1,0,1]=4 591 B9R0.57 O=C(O)C(=O)CS(=O)(=O)O CNP0249927.0 [0,2,0,0,0,0|1,0,1]=4 592 B9R0.57 O=C(O)[C@@H](O)CS(=O)(=O)O CNP0441591.2 [0,2,0,0,0,0|1,0,0]=3 593 B9R0.57 O=C(O)[C@H](O)CS(=O)(=O)O CNP0441591.1 [0,2,0,0,0,0|1,0,0]=3 594 B9R0.79 C=C(C(=C)C(=O)O)C(=O)O CNP0156637.0 [0,2,0,0,0,0|0,0,2]=4 595 B9R0.79 C=C(O)C(O)C(O)C(=C)O CNP0085612.0 [0,2,0,0,0,0|2,0,0]=4 596 B9R0.79 CC(=C(C)C(=O)O)C(=O)O CNP0229389.0 [0,2,0,0,0,0|0,0,2]=4 597 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,2,0,0,0,0|1,0,0]=3 598 B9R0.79 CC(C(=O)O)C(O)C(=O)O CNP0389403.0 [0,2,0,0,0,0|0,0,0]=2 599 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CNP0207254.1 [0,2,0,0,0,0|1,0,1]=4 600 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.3 [0,2,0,0,0,0|0,0,0]=2 601 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O CNP0145272.1 [0,2,0,0,0,0|1,0,1]=4 602 B9R0.79 C[C@@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.6 [0,2,0,0,0,0|1,0,1]=4 603 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](N)C(=O)O CNP0207254.7 [0,2,0,0,0,0|1,0,1]=4 604 B9R0.79 C[C@@H]([C@H](C)O)[C@H](N)C(=O)O CNP0207254.3 [0,2,0,0,0,0|1,0,1]=4 605 B9R0.79 C[C@@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.4 [0,2,0,0,0,0|1,0,1]=4 606 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O CNP0165783.1 [0,2,0,0,0,0|0,0,0]=2 607 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.2 [0,2,0,0,0,0|0,0,0]=2 608 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.5 [0,2,0,0,0,0|1,0,1]=4 609 B9R0.79 C[C@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.2 [0,2,0,0,0,0|1,0,1]=4 610 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O CNP0276088.1 [0,2,0,0,0,0|1,0,0]=3 611 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)N CNP0226713.1 [0,2,0,0,0,0|2,0,0]=4 612 B9R0.79 NC(=O)[C@H](O)[C@H](N)C(=O)O CNP0276088.2 [0,2,0,0,0,0|1,0,0]=3 613 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.3 [0,2,0,0,0,0|0,0,0]=2 614 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.4 [0,2,0,0,0,0|0,0,0]=2 615 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.2 [0,2,0,0,0,0|0,0,0]=2 616 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O CNP0266358.1 [0,2,0,0,0,0|0,0,0]=2 617 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.1 [0,2,0,0,0,0|0,0,0]=2 618 B9R0.79 O=C(O)C(=C(O)C(=O)O)O CNP0237095.0 [0,2,0,0,0,0|0,0,2]=4 619 B9R0.79 O=C(O)C(O)C(O)C(=O)O CNP0549774.0 [0,2,0,0,0,0|0,0,0]=2 620 B9R0.79 O=C(O)[C@@H](Br)[C@@H](Br)C(=O)O CNP0444588.2 [0,2,0,0,0,0|0,0,0]=2 621 B9R0.79 O=C(O)[C@@H](Br)[C@H](Br)C(=O)O CNP0444588.1 [0,2,0,0,0,0|0,0,0]=2 622 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O CNP0131308.3 [0,2,0,0,0,0|0,0,0]=2 623 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O CNP0131308.1 [0,2,0,0,0,0|0,0,0]=2 624 B9R0.79 O=C(O)[C@@H](S)[C@@H](S)C(=O)O CNP0437061.1 [0,2,0,0,0,0|0,0,0]=2 625 B9R0.79 O=C(O)[C@H](Br)[C@@H](Br)C(=O)O CNP0444588.3 [0,2,0,0,0,0|0,0,0]=2 626 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CNP0131308.2 [0,2,0,0,0,0|0,0,0]=2 627 B9R0.79 O=C([O-])C(O)C(O)C(=O)O CNP0547326.0 [0,2,0,0,0,0|0,0,1]=3 628 B9R0.79 O=C([O-])C(O)C(O)C(=O)O CNP0567725.0 [0,2,0,0,0,0|0,0,1]=3 629 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] CNP0548568.0 [0,2,0,0,0,0|0,0,2]=4 630 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] CNP0563528.0 [0,2,0,0,0,0|0,0,2]=4 631 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O CNP0542801.1 [0,2,0,0,0,0|0,0,1]=3 632 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O CNP0584343.1 [0,2,0,0,0,0|0,0,1]=3 633 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] CNP0536809.1 [0,2,0,0,0,0|0,0,2]=4 634 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,1,0,0|2,0,0]=4 635 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|1,0,1]=4 636 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|1,0,1]=4 637 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|1,0,1]=4 638 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [1,0,0,1,0,0|2,0,0]=4 639 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,0,0,1,0,0|0,0,2]=4 640 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [1,0,0,1,0,0|1,0,0]=3 641 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,0,0,1,0,0|1,0,0]=3 642 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [1,0,0,1,0,0|1,0,0]=3 643 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,1,0,0|0,0,0]=2 644 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,1,0,0|1,0,1]=4 645 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,1,0,0|1,0,1]=4 646 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [1,0,0,1,0,0|1,0,1]=4 649 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|1,0,0]=3 651 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|1,0,1]=4 652 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [1,0,0,1,0,0|2,0,0]=4 653 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [1,0,0,1,0,0|2,0,0]=4 654 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [1,0,0,1,0,0|1,0,1]=4 655 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,1,0,0|1,0,1]=4 656 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,1,0,0|1,0,1]=4 657 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,0,0,1,0,1|2,0,0]=4 658 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,0,0,1,0,1|1,0,0]=3 659 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,0,0,1,0,1|1,0,1]=4 660 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,0,0,1,0,1|1,0,1]=4 661 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CNP0295319.2 [0,0,0,1,0,1|2,0,0]=4 662 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 CNP0295319.1 [0,0,0,1,0,1|2,0,0]=4 663 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,0,0,1,0,1|1,0,0]=3 664 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,0,0,1,0,1|1,0,1]=4 665 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [0,0,0,1,0,1|1,0,0]=3 666 B9R1.35 O=C(O)[C@@H]1CSC(=N1)S CNP0535446.1 [0,0,0,1,0,1|1,1,0]=4 667 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 CNP0338820.1 [0,0,0,1,0,1|1,1,0]=4 668 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,0,0,1,0,1|1,0,1]=4 669 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,0,0,1,0,1|1,0,1]=4 670 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [0,0,0,1,0,1|1,0,0]=3 671 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [0,0,0,1,0,1|1,1,0]=4 672 B9R1.35 O=C(O)[C@H]1CSC(=S)N1 CNP0338820.2 [0,0,0,1,0,1|1,1,0]=4 673 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,0,0,1,0,1|1,0,1]=4 674 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,0,0,1,0,1|1,0,1]=4 675 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,0,0,1,0,1|1,0,1]=4 676 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,0,0,1,0,1|1,0,0]=3 677 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,0,0,1,0,1|0,0,0]=2 678 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,0,0,1,0,1|1,0,0]=3 679 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,1,0,1|1,0,0]=3 680 B9R1.35 O=C1NCC(N1)C(=O)O CNP0324165.0 [0,0,0,1,0,1|1,0,0]=3 681 B9R1.35 O=C1N[C@@H](CS1)C(=O)O CNP0361457.2 [0,0,0,1,0,1|1,0,0]=3 682 B9R1.35 O=C1N[C@H](CS1)C(=O)O CNP0361457.1 [0,0,0,1,0,1|1,0,0]=3 683 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CNP0465575.1 [0,0,0,1,0,1|0,0,0]=2 684 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O CNP0251636.1 [0,0,0,1,0,1|0,0,0]=2 685 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O CNP0465575.2 [0,0,0,1,0,1|0,0,0]=2 686 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CNP0465575.3 [0,0,0,1,0,1|0,0,0]=2 687 B9R1.161 O=C(O)[C@H]1N[C@@H]1C(=O)O CNP0156205.1 [0,0,0,1,0,1|0,0,0]=2 688 B9R1.161 O=C(O)[C@H]1N[C@H]1C(=O)O CNP0156205.2 [0,0,0,1,0,1|0,0,0]=2 689 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O CNP0251636.3 [0,0,0,1,0,1|0,0,0]=2 690 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O CNP0251636.2 [0,0,0,1,0,1|0,0,0]=2 691 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|1,0,1]=4 693 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,1,0,0|1,0,1]=4 695 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,1,0,1,0,0|1,0,1]=4 699 B9R1.198 CS1(=O)(CCC(=O)O1)O CNP0407926.0 [0,1,0,1,0,0|1,0,0]=3 700 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,0,0,2,0|2,0,0]=4 701 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,0,0,0,2,0|2,0,0]=4 702 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,0,0,0,2,0|2,0,0]=4 703 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,0,0,0,2,0|1,0,0]=3 704 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,0,0,0,2,0|2,0,0]=4 705 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,0,0,2,0|2,0,0]=4 706 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,0,0,0,2,0|2,0,0]=4 707 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,0,0,0,2,0|1,0,0]=3 708 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,2,0|1,0,1]=4 709 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,2,0|1,0,1]=4 710 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,0,0,0,2,0|2,0,0]=4 711 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,0,0,0,2,0|1,0,0]=3 712 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,0,0,0,2,0|1,0,1]=4 713 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,0,0,0,2,0|2,0,0]=4 714 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,0,0,0,2,0|0,0,0]=2 715 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,0,0,0,2,0|0,0,2]=4 716 B5R0.5 O=S(O)S(=O)O CNP0446885.0 [0,0,0,0,2,0|2,0,0]=4 717 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,0,0,0,2,0|0,0,0]=2 718 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,0,0,0,0,2|1,0,0]=3 719 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [0,0,0,0,0,2|2,0,0]=4 720 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [0,0,0,0,0,2|1,0,1]=4 721 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [0,0,0,0,0,2|1,0,0]=3 722 B9R0.55 CC(=O)NCCNC(=O)C CNP0287260.0 [0,0,0,0,0,2|2,0,0]=4 723 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,0,0,0,0,2|1,0,1]=4 724 B9R0.55 N=C(N)NCCCC(=O)O CNP0565409.0 [0,0,0,0,0,2|2,0,0]=4 725 B9R0.55 NC(=NCCCC(=O)O)N CNP0333230.0 [0,0,0,0,0,2|2,0,0]=4 726 B9R0.55 NC(=O)CCCCC(=O)N CNP0104382.0 [0,0,0,0,0,2|2,0,0]=4 727 B9R0.55 NC(=O)NCCCC(=O)O CNP0167058.0 [0,0,0,0,0,2|1,0,0]=3 728 B9R0.55 O=C(Cl)CCCCC(=O)Cl CNP0235392.0 [0,0,0,0,0,2|2,0,0]=4 729 B9R0.55 O=C(O)C=CC=CC(=O)O CNP0248591.0 [0,0,0,0,0,2|0,0,2]=4 730 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,0,0,0,0,2|0,0,0]=2 731 B9R0.55 O=C(O)CC=CCC(=O)O CNP0098647.0 [0,0,0,0,0,2|0,0,0]=2 732 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [0,0,0,0,0,2|0,0,0]=2 733 B9R0.55 O=C(O)CCNCC(=O)O CNP0174380.0 [0,0,0,0,0,2|0,0,0]=2