0 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,0,0,0,0|0,0,1]=1 7 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,0,0,0,0|0,0,1]=1 8 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.6 CC(=O)NNC(=O)N CNP0300547.0 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 CC(=O)ONC(=N)N CNP0548365.0 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,0,0,0,0,0|1,0,3]=4 20 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,0,0,0,0,0|1,0,1]=2 23 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,0,0,0,0,0|0,0,2]=2 25 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,0,0,0,0,0|1,0,1]=2 31 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.6 N=C(N)NCC(=O)O CNP0177921.0 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.6 N=C(O)C=CC(=O)O CNP0546682.0 [0,0,0,0,0,0|1,0,3]=4 35 B7R0.6 NC(=NCC(=O)O)N CNP0491691.0 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.6 NC(=O)C#CC(=O)N CNP0111468.0 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.6 NC(=O)C=CC(=O)N CNP0214096.0 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,0,0,0,0,0|1,0,2]=3 39 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.6 NC(=O)N=NC(=O)N CNP0081464.0 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [0,0,0,0,0,0|2,0,0]=2 44 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [0,0,0,0,0,0|2,0,0]=2 45 B7R0.6 O=C(Cl)CC[N+](=O)[O-] CNP0468600.0 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.6 O=C(O)C#CC(=O)O CNP0197927.0 [0,0,0,0,0,0|1,0,2]=3 47 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,0,0,0,0,0|1,0,0]=1 49 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [0,0,0,0,0,0|2,0,0]=2 50 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.6 O=C(O)CN[N+](=O)[O-] CNP0570107.0 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [0,0,0,0,0,0|1,0,2]=3 53 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0497869.0 [0,0,0,0,0,0|1,0,3]=4 54 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0507497.0 [0,0,0,0,0,0|1,0,3]=4 55 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0533924.0 [0,0,0,0,0,0|1,0,3]=4 56 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0554203.0 [0,0,0,0,0,0|1,0,3]=4 57 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0574790.0 [0,0,0,0,0,0|1,0,3]=4 58 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [0,0,0,0,0,0|1,0,1]=2 59 B6R0.4 C#CNCC(=O)O CNP0073758.0 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,0,0,0,0|0,0,3]=4 62 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,0,0,0,0|0,0,1]=2 65 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|0,0,0]=1 71 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,0,0,0,0|1,1,1]=4 74 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.4 CC(C)CCCO CNP0344466.0 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.4 CC(C)COC=O CNP0232692.0 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,0,0,0,0|0,0,1]=2 82 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,0,0,0,0,0|1,0,2]=4 83 B6R0.4 CC=CCS(=S)O CNP0514093.0 [1,0,0,0,0,0|1,1,1]=4 84 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|0,0,3]=4 85 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.4 CCCCB(O)O CNP0482760.0 [1,0,0,0,0,0|1,0,2]=4 87 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|1,0,1]=3 89 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|0,0,1]=2 90 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|0,0,1]=2 91 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|1,0,2]=4 93 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|1,0,1]=3 97 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|1,0,0]=2 100 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,0,0,0,0|1,0,2]=4 101 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,0,0,0,0|2,0,0]=3 103 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|1,0,0]=2 104 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,0,0,0,0|1,0,1]=3 107 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.4 N=C(N)NCC=O CNP0478435.0 [1,0,0,0,0,0|3,0,0]=4 109 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,0,0,0,0|1,0,1]=3 111 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,0,0,0,0|1,0,1]=3 112 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|0,0,2]=3 113 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|0,0,0]=1 115 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [1,0,0,0,0,0|2,0,1]=4 117 B8R0.9 C=CC(=O)NCC(=O)O CNP0077507.0 [0,1,0,0,0,0|1,0,1]=3 118 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [0,1,0,0,0,0|1,0,2]=4 121 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [0,1,0,0,0,0|0,0,1]=2 122 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,1,0,0,0,0|0,0,2]=3 124 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,1,0,0,0,0|1,0,2]=4 125 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,1,0,0,0,0|1,0,2]=4 126 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,1,0,0,0,0|3,0,0]=4 128 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [0,1,0,0,0,0|1,0,0]=2 129 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,1,0,0,0,0|1,0,2]=4 130 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,0,0,0,0|1,0,0]=2 132 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,0,0,0,0|0,0,0]=1 133 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,0,0,0,0|1,0,1]=3 135 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,1,0,0,0,0|1,0,0]=2 137 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,0,0,0,0|1,0,1]=3 139 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,0,0,0,0|1,0,1]=3 140 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,1,0,0,0,0|1,0,2]=4 142 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,1,0,0,0,0|0,0,2]=3 143 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,1,0,0,0,0|1,0,1]=3 144 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,0,0,0,0|0,0,0]=1 145 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,1,0,0,0,0|0,0,0]=1 147 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,0,0,0,0|1,0,1]=3 148 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,1,0,0,0,0|1,0,0]=2 149 B8R0.9 COC(=O)NNC(=O)N CNP0304679.0 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,0,0,0,0|1,1,1]=4 151 B8R0.9 N#CC(N)CCC(=O)O CNP0028484.0 [0,1,0,0,0,0|1,0,2]=4 152 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,1,0,0,0,0|0,0,0]=1 153 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,1,0,0,0,0|1,0,0]=2 154 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,1,0,0,0,0|1,0,1]=3 155 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,1,0,0,0,0|0,0,2]=3 156 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [0,1,0,0,0,0|1,0,1]=3 158 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,1,0,0,0,0|0,0,0]=1 159 B8R0.9 O=C(O)CCC(=O)NO CNP0136196.0 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,1,0,0,0,0|0,0,2]=3 161 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,1,0,0,0,0|0,0,1]=2 162 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl CNP0326877.0 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.23 C=C(CC(=O)N)C(=O)N CNP0145469.0 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.23 C=C(CC(=O)O)C(=O)O CNP0269442.0 [0,1,0,0,0,0|1,0,1]=3 166 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,1,0,0,0,0|1,0,2]=4 167 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O CNP0106223.1 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.23 C=C(Cl)[C@H](O)CC(=O)N CNP0072044.1 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.23 CC(=CC(=O)N)C(=O)O CNP0166908.0 [0,1,0,0,0,0|1,0,2]=4 170 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,1,0,0,0,0|0,0,1]=2 173 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,1,0,0,0,0|0,0,0]=1 174 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,1,0,0,0,0|1,0,0]=2 176 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,1,0,0,0,0|0,0,0]=1 177 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,1,0,0,0,0|0,0,0]=1 178 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,1,0,0,0,0|1,0,0]=2 179 B8R0.23 CC(=O)OC(C)C(=O)Cl CNP0312300.0 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,0,0|2,0,0]=3 181 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,1,0,0,0,0|1,0,0]=2 182 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,1,0,0,0,0|0,0,0]=1 183 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,0,0,0,0|1,0,2]=4 184 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,1,0,0,0,0|1,0,1]=3 187 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,1,0,0,0,0|1,0,1]=3 189 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,1,0,0,0,0|1,0,1]=3 191 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,1,0,0,0,0|1,0,1]=3 192 B8R0.23 CC(NC(=N)N)C(=O)O CNP0082989.0 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,1,0,0,0,0|0,0,2]=3 194 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,1,0,0,0,0|0,0,3]=4 195 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,1,0,0,0,0|2,0,0]=3 196 B8R0.23 CN(CC(=O)O)C(=N)N CNP0156562.0 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.23 CN(CC(=O)O)C(=O)N CNP0548599.0 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.23 CN(CC(=O)O)C(=S)S CNP0495623.0 [0,1,0,0,0,0|2,1,0]=4 199 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,1,0,0,0,0|1,0,0]=2 200 B8R0.23 C[C@@H](NC(=O)N)C(=O)O CNP0369812.2 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,1,0,0,0,0|0,0,2]=3 202 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,1,0,0,0,0|0,0,2]=3 203 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,1,0,0,0,0|1,0,0]=2 204 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,1,0,0,0,0|1,0,1]=3 205 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,1,0,0,0,0|1,0,1]=3 206 B8R0.23 C[C@H](NC(=O)N)C(=O)O CNP0369812.1 [0,1,0,0,0,0|2,0,0]=3 207 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,1,0,0,0,0|0,0,2]=3 208 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [0,1,0,0,0,0|1,0,1]=3 209 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [0,1,0,0,0,0|1,0,1]=3 211 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [0,1,0,0,0,0|1,0,1]=3 212 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [0,1,0,0,0,0|1,0,1]=3 213 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [0,1,0,0,0,0|1,0,1]=3 214 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [0,1,0,0,0,0|1,0,1]=3 215 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,1,0,0,0,0|1,0,0]=2 216 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.23 N=C(CC(=O)O)C(=O)O CNP0417649.0 [0,1,0,0,0,0|1,0,1]=3 218 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,1,0,0,0,0|1,0,0]=2 219 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,1,0,0,0,0|1,0,0]=2 220 B8R0.23 NC(=O)NC(=O)C(=O)O CNP0197878.0 [0,1,0,0,0,0|2,0,1]=4 221 B8R0.23 NC(=O)N[C@@H](O)C(=O)O CNP0085588.2 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.23 NC(=O)N[C@H](N)C(=O)O CNP0313342.1 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.23 NC(=O)N[C@H](O)C(=O)O CNP0085588.1 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,1,0,0,0,0|1,0,0]=2 225 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,1,0,0,0,0|1,0,0]=2 226 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,1,0,0,0,0|1,0,0]=2 227 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] CNP0541821.0 [0,1,0,0,0,0|1,0,1]=3 228 B8R0.23 NC(CS(=O)=O)C(=O)O CNP0422129.0 [0,1,0,0,0,0|2,0,0]=3 229 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,1,0,0,0,0|2,0,0]=3 230 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,1,0,0,0,0|1,0,0]=2 231 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [0,1,0,0,0,0|2,0,1]=4 233 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,1,0,0,0,0|2,0,0]=3 234 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,1,0,0,0,0|2,0,0]=3 235 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,1,0,0,0,0|2,0,0]=3 236 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,1,0,0,0,0|2,0,0]=3 237 B8R0.23 N[C@@H](C[S](=O)=O)C(=O)O CNP0002376.1 [0,1,0,0,0,0|2,0,0]=3 238 B8R0.23 N[C@@H](C[SeH](=O)=O)C(=O)O CNP0497016.1 [0,1,0,0,0,0|2,0,0]=3 239 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,1,0,0,0,0|1,0,0]=2 240 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,1,0,0,0,0|2,0,0]=3 241 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,1,0,0,0,0|2,0,0]=3 242 B8R0.23 O=C(O)C(=O)CP(=O)=O CNP0343422.0 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.23 O=C(O)C(=O)CS(=O)O CNP0083680.0 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.23 O=C(O)C=C(O)C(=O)O CNP0279115.0 [0,1,0,0,0,0|1,0,2]=4 245 B8R0.23 O=C(O)CC(=O)C(=O)O CNP0390338.0 [0,1,0,0,0,0|1,0,1]=3 246 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,1,0,0,0,0|1,0,0]=2 247 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,1,0,0,0,0|1,0,0]=2 248 B8R0.23 O=C(O)CN(O)C(=O)O CNP0547380.0 [0,1,0,0,0,0|2,0,0]=3 249 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,1,0,0,0,0|1,0,0]=2 250 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,1,0,0,0,0|1,0,0]=2 251 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,1,0,0,0,0|1,0,0]=2 252 B8R0.23 O=C(O)[C@H](O)C=C(O)O CNP0478842.1 [0,1,0,0,0,0|1,0,2]=4 253 B8R0.23 O=C([Na])C[C@@H](O)C(=O)[Na] CNP0467255.1 [0,1,0,0,0,0|2,0,0]=3 254 B8R0.23 O=C([O-])CC(O)C(=O)O CNP0534895.0 [0,1,0,0,0,0|1,0,0]=2 255 B8R0.23 O=C([O-])CC([S-])C(=O)[O-] CNP0547285.0 [0,1,0,0,0,0|1,0,1]=3 256 B8R0.29 CC(=O)CCS(=O)(=O)C CNP0178964.0 [0,1,0,0,0,0|1,0,1]=3 257 B8R0.29 CN(C)CCP(=O)(O)O CNP0185687.0 [0,1,0,0,0,0|3,0,0]=4 258 B8R0.29 CN(C)CCS(=O)(=O)O CNP0155138.0 [0,1,0,0,0,0|3,0,0]=4 259 B8R0.29 CS(=O)(=O)CCC(=O)O CNP0352253.0 [0,1,0,0,0,0|1,0,0]=2 260 B8R0.29 C[As+](C)(C)CCC(=O)[O-] CNP0065909.0 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CNP0359196.0 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.29 O=C(O)CCP(=O)(O)O CNP0502443.0 [0,1,0,0,0,0|2,0,0]=3 263 B8R0.29 O=C(O)CCS(=O)(=O)O CNP0551286.0 [0,1,0,0,0,0|2,0,0]=3 264 B8R0.29 O=C(O)COP(=O)(O)O CNP0359504.0 [0,1,0,0,0,0|3,0,0]=4 265 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,1,0,0|1,0,1]=3 268 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,0,0,1,0,0|1,0,1]=3 270 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,0,0,1,0,0|0,0,2]=3 271 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,1,0,0|1,0,0]=2 272 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,0,0|0,0,0]=1 273 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.3 OC1=NCC(=NC1)O CNP0546971.0 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [0,0,0,1,0,0|1,0,0]=2 276 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,0,1,0,0|2,0,1]=4 277 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,0,0,1,0|2,0,0]=3 278 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,0,0,0,1,0|1,0,1]=3 279 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,0,0,0,1,0|0,0,2]=3 280 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,0,0,0,1,0|2,0,1]=4 281 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,0,0,0,1,0|2,0,1]=4 282 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,0,0,1,0|1,0,1]=3 283 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,0,0,0,1,0|0,0,2]=3 284 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,0,0,1,0|2,0,1]=4 285 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,0,0,1,0|2,0,0]=3 286 B6R0.2 CC(=N)C[N+](=O)[O-] CNP0571090.0 [0,0,0,0,1,0|2,0,1]=4 287 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,0,0,1,0|2,0,1]=4 288 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,0,0,1,0|1,0,1]=3 289 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,1,0|1,0,0]=2 290 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,0,0,0,1,0|1,0,0]=2 291 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,0,0,0,1,0|0,0,0]=1 292 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,0,0,1,0|2,0,1]=4 293 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,1,0|1,0,1]=3 294 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,1,0|1,0,1]=3 295 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,0,0,0,1,0|3,0,0]=4 296 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,0,0,1,0|2,0,0]=3 297 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,0,0,0,1,0|2,0,0]=3 298 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,0,0,0,1,0|2,1,0]=4 299 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,0,0,1,0|2,0,0]=3 300 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,0,0,1,0|2,0,0]=3 301 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,0,0,1,0|2,0,1]=4 302 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,0,0,1,0|1,0,2]=4 303 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,0,0,1,0|3,0,0]=4 304 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,0,0,1,0|3,0,0]=4 305 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,0,0,1,0|2,0,0]=3 306 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,0,0,1,0|1,0,1]=3 307 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,1,0|0,0,2]=3 308 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,0,0,1,0|1,0,1]=3 309 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,1,0|0,0,2]=3 310 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,0,0,1,0|1,0,1]=3 311 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,0,0,1,0|1,0,1]=3 312 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,0,0,1,0|2,0,0]=3 313 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,0,0,1,0|2,0,1]=4 314 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,0,0,0,1,0|2,0,0]=3 315 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,0,0,0,1,0|1,0,0]=2 316 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,0,0,0,1,0|2,0,0]=3 317 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,0,0,0,1,0|2,0,0]=3 318 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,0,0,0,1,0|2,0,1]=4 319 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,0,0,0,1,0|2,0,1]=4 320 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,0,0,0,1,0|2,0,1]=4 321 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,0,0,0,1,0|1,0,0]=2 322 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,0,0,0,0,1|3,0,0]=4 323 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,0,0,0,0,1|2,0,0]=3 324 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,0,0,0,0,1|2,0,1]=4 325 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,0,0,0,0,1|2,0,0]=3 326 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,0,0,0,0,1|2,0,1]=4 327 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,0,0,0,0,1|2,0,1]=4 328 B8R0.28 CC(=CCNC(=O)N)C CNP0278805.0 [0,0,0,0,0,1|2,0,1]=4 329 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,0,0,0,0,1|2,0,0]=3 330 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,0,0,0,0,1|1,0,0]=2 331 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,0,0,0,0,1|0,0,0]=1 332 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,0,0,0,0,1|2,0,1]=4 333 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,0,0,0,0,1|1,0,0]=2 334 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,0,0,0,0,1|0,0,0]=1 335 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,0,0,0,0,1|2,0,1]=4 336 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,0,0,0,0,1|2,0,1]=4 337 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,0,0,0,0,1|2,0,1]=4 338 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,0,0,0,0,1|1,1,1]=4 339 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,0,0,0,0,1|2,0,1]=4 340 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,0,0,0,0,1|1,0,2]=4 341 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,0,0,0,0,1|2,0,1]=4 342 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,0,0,0,0,1|1,0,1]=3 343 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,0,0,0,0,1|1,1,1]=4 344 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,0,0,0,0,1|0,0,3]=4 345 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,0,0,0,0,1|2,0,0]=3 346 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,0,0,0,0,1|0,0,2]=3 347 B8R0.28 N=C(N)NCCC(=O)O CNP0480617.0 [0,0,0,0,0,1|2,0,0]=3 348 B8R0.28 NC(=NCCC(=O)O)N CNP0139818.0 [0,0,0,0,0,1|2,0,0]=3 349 B8R0.28 NC(=O)CCCC(=O)N CNP0251512.0 [0,0,0,0,0,1|2,0,0]=3 350 B8R0.28 NC(=O)NC=CC(=O)O CNP0395039.0 [0,0,0,0,0,1|1,0,2]=4 351 B8R0.28 NC(=O)NCCC(=O)O CNP0350035.0 [0,0,0,0,0,1|1,0,0]=2 352 B8R0.28 NC(=O)NCNC(=O)O CNP0206621.0 [0,0,0,0,0,1|2,0,0]=3 353 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,0,0,0,0,1|1,0,1]=3 354 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,0,0,0,0,1|1,0,0]=2 355 B8R0.28 O=C(O)CCO[N+](=O)[O-] CNP0488226.0 [0,0,0,0,0,1|2,0,0]=3 356 B8R0.28 O=C(O)CNCC(=O)O CNP0080016.0 [0,0,0,0,0,1|1,0,0]=2 357 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [0,0,0,0,0,1|1,0,0]=2 358 B8R0.28 O=C(O)CSCC(=O)O CNP0310100.0 [0,0,0,0,0,1|1,0,0]=2 359 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|0,0,2]=4 360 B5R0.1 C=C(Br)CCO CNP0595001.0 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|1,0,0]=3 363 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,0]=3 364 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|0,0,1]=3 365 B5R0.1 C=CCC(=O)N CNP0292806.0 [2,0,0,0,0,0|1,0,1]=4 366 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,1]=3 367 B5R0.1 C=COC(=O)C CNP0003526.0 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.1 CC(=CC=O)C CNP0325416.0 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.1 CC(=CCO)C CNP0241702.0 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.1 CC(=O)C=NO CNP0397193.0 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|0,0,0]=2 372 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|0,1,0]=3 373 B5R0.1 CC(=O)OCS CNP0547679.0 [2,0,0,0,0,0|1,1,0]=4 374 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|1,0,1]=4 375 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|1,0,1]=4 376 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|1,0,1]=4 377 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [2,0,0,0,0,0|1,0,1]=4 378 B5R0.1 CC=CC(=O)N CNP0376163.0 [2,0,0,0,0,0|1,0,1]=4 379 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,1]=3 380 B5R0.1 CC=CC(=O)S CNP0128183.0 [2,0,0,0,0,0|0,1,1]=4 381 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|1,0,1]=4 382 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|0,0,1]=3 383 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 384 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,0]=2 385 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,1]=3 386 B5R0.1 CCCC(O)O CNP0076336.0 [2,0,0,0,0,0|0,0,2]=4 387 B5R0.1 CCCS(=S)O CNP0558357.0 [2,0,0,0,0,0|1,1,0]=4 388 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|1,0,1]=4 389 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|1,0,1]=4 390 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|1,0,1]=4 391 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|1,0,1]=4 392 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|2,0,0]=4 393 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 394 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|1,0,1]=4 395 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|1,0,1]=4 396 B5R0.1 CN(C)CCO CNP0230038.0 [2,0,0,0,0,0|2,0,0]=4 397 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,0]=3 399 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,0]=3 402 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,0]=3 404 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|0,0,2]=4 405 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [2,0,0,0,0,0|0,0,2]=4 406 B5R0.1 C[C@H](O)CCO CNP0110972.1 [2,0,0,0,0,0|0,0,2]=4 407 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,0]=3 408 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,0]=3 409 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 410 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 411 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.1 O=C(O)C=CBr CNP0310992.0 [2,0,0,0,0,0|1,0,1]=4 416 B5R0.1 O=C(O)C=CCl CNP0293481.0 [2,0,0,0,0,0|1,0,1]=4 417 B5R0.1 O=C(O)C=CI CNP0239582.0 [2,0,0,0,0,0|1,0,1]=4 418 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|0,0,1]=3 419 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|0,1,0]=3 420 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|1,0,1]=4 421 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|0,0,0]=2 422 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|1,0,1]=4 424 B5R0.2 C=CCC=CC CNP0292090.0 [2,0,0,0,0,0|1,0,1]=4 425 B5R0.2 C=CCCC=C CNP0079781.0 [2,0,0,0,0,0|1,0,1]=4 426 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|0,0,1]=3 427 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|1,0,1]=4 428 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|0,0,2]=4 429 B5R0.2 C=CCOC=O CNP0541341.0 [2,0,0,0,0,0|1,0,1]=4 430 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,1]=3 431 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|0,0,2]=4 432 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|0,0,2]=4 433 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,0,1]=3 434 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,0,2]=4 435 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|1,0,1]=4 436 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|1,0,1]=4 437 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|1,0,0]=3 438 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|1,0,1]=4 439 B5R0.2 N#CCCC=O CNP0181263.0 [2,0,0,0,0,0|1,0,1]=4 440 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|1,0,1]=4 441 B5R0.2 O=CCCC=O CNP0053830.0 [2,0,0,0,0,0|0,0,0]=2 442 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [1,1,0,0,0,0|0,0,1]=3 443 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,1,0,0,0,0|1,0,1]=4 448 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,1,0,0,0,0|1,0,1]=4 450 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,1,0,0,0,0|1,0,1]=4 451 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,1,0,0,0,0|1,0,1]=4 452 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,1,0,0,0,0|0,0,2]=4 453 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [1,1,0,0,0,0|1,0,1]=4 454 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|0,0,1]=3 455 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|0,0,2]=4 456 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|1,0,1]=4 457 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|0,0,1]=3 458 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,1,0,0,0,0|1,0,1]=4 459 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,1,0,0,0,0|1,0,1]=4 460 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|0,0,1]=3 461 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|0,0,1]=3 463 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [1,1,0,0,0,0|0,0,2]=4 465 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [1,1,0,0,0,0|0,0,2]=4 466 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,1,0,0,0,0|1,0,1]=4 467 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,1,0,0,0,0|1,0,1]=4 469 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,1,0,0,0,0|1,0,1]=4 470 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,1,0,0,0,0|0,1,1]=4 471 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,1,0,0,0,0|0,0,0]=2 472 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,1,0,0,0,0|0,0,2]=4 473 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,1,0,0,0,0|0,0,2]=4 474 B7R0.2 O=CN(O)CC(=O)O CNP0278033.0 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [1,1,0,0,0,0|1,0,1]=4 477 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,1,0,0,0,0|0,0,1]=3 479 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,1,0,0,0,0|2,0,0]=4 480 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,1,0,0,0,0|0,0,2]=4 481 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,1,0,0,0,0|2,0,0]=4 482 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|0,0,1]=3 485 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,1,0,0,0,0|0,0,0]=2 489 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,1,0,0,0,0|1,0,0]=3 490 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,1,0,0,0,0|0,0,1]=3 494 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,1,0,0,0,0|0,0,1]=3 495 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [1,1,0,0,0,0|1,0,1]=4 496 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,1,0,0,0,0|0,0,0]=2 497 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,1,0,0,0,0|0,0,0]=2 498 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,1,0,0,0,0|0,1,1]=4 499 B7R0.4 CC(C)CCNC=O CNP0473179.0 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.4 CC(C)CCOC=O CNP0324042.0 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,1,0,0,0,0|0,0,2]=4 502 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,1,0,0,0,0|0,0,0]=2 503 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,1,0,0,0,0|0,0,1]=3 505 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,1,0,0,0,0|0,0,2]=4 506 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|0,0,1]=3 509 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,1,0,0,0,0|0,1,1]=4 510 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|0,0,1]=3 511 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|0,0,1]=3 514 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,1,0,0,0,0|0,0,1]=3 515 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,1,0,0,0,0|0,0,1]=3 516 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,1,0,0,0,0|0,0,2]=4 518 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,1,0,0,0,0|0,0,1]=3 521 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.4 NN=CNCC(=O)O CNP0018426.0 [1,1,0,0,0,0|2,0,0]=4 523 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,1,0,0,0,0|0,0,1]=3 524 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,1,0,0,0,0|0,0,2]=4 525 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,1,0,0,0,0|0,0,0]=2 526 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [1,1,0,0,0,0|0,0,2]=4 527 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [1,1,0,0,0,0|0,0,2]=4 528 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,1,0,0,0,0|0,0,1]=3 529 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,1,0,0,0,0|0,0,1]=3 530 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,1,0,0,0,0|0,0,1]=3 531 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,1,0,0,0,0|0,0,2]=4 532 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,1,0,0,0,0|0,0,2]=4 533 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,1,0,0,0,0|0,0,2]=4 534 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,1,0,0,0,0|0,0,1]=3 535 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|0,0,2]=4 536 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,1,0,0,0,0|0,0,1]=3 540 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,1,0,0,0,0|0,0,1]=3 541 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,1,0,0,0,0|1,0,1]=4 542 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,1,0,0,0,0|1,0,1]=4 543 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,1,0,0,0,0|1,0,1]=4 544 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,1,0,0,0,0|0,0,1]=3 545 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,1,0,0,0,0|0,0,1]=3 547 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,1,0,0,0,0|0,0,1]=3 548 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,1,0,0,0,0|1,0,0]=3 549 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,1,0,0,0,0|1,0,0]=3 550 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,1,0,0,0,0|1,0,0]=3 551 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,1,0,0,0,0|1,0,0]=3 552 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,1,0,0,0,0|1,0,1]=4 554 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,1,0,0,0,0|1,0,0]=3 555 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [1,1,0,0,0,0|1,0,0]=3 558 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,1,0,0,0,0|1,0,1]=4 560 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [1,1,0,0,0,0|2,0,0]=4 561 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,1,0,0,0,0|0,0,0]=2 562 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,1,0,0,0,0|0,0,2]=4 563 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,1,0,0,0,0|0,1,1]=4 564 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,1,0,0,0,0|0,1,1]=4 565 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [1,1,0,0,0,0|1,0,1]=4 566 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [1,1,0,0,0,0|1,1,0]=4 567 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [1,1,0,0,0,0|1,1,0]=4 568 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [1,1,0,0,0,0|1,0,0]=3 569 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,1,0,0,0,0|0,0,0]=2 570 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,1,0,0,0,0|0,0,2]=4 571 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,1,0,0,0,0|0,1,1]=4 572 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [1,1,0,0,0,0|1,1,0]=4 573 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,1,0,0,0,0|0,0,2]=4 574 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [1,1,0,0,0,0|0,0,1]=3 575 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [1,1,0,0,0,0|1,0,1]=4 576 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [1,1,0,0,0,0|1,0,1]=4 577 B7R0.8 CNCCP(=O)(O)O CNP0289826.0 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.8 CNCCS(=O)(=O)O CNP0173861.0 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.8 CSCCS(=O)(=O)O CNP0358914.0 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,1,0,0,1,0|1,0,1]=4 581 B7R0.9 CC(=O)OP(=O)(O)O CNP0284907.0 [0,1,0,0,1,0|2,0,0]=4 582 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,1,0,0,1,0|0,0,2]=4 583 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,1,0,0,1,0|2,0,0]=4 584 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,1,0,0,1,0|2,0,0]=4 585 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,1,0,0,1,0|2,0,0]=4 586 B7R0.9 O=C(O)CP(=O)(O)O CNP0167519.0 [0,1,0,0,1,0|2,0,0]=4 587 B7R0.9 O=C(O)CS(=O)(=O)O CNP0082810.0 [0,1,0,0,1,0|2,0,0]=4 588 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,1,0|1,0,1]=4 589 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,1,0|1,0,1]=4 590 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,1,0,0,1,0|0,0,1]=3 591 B7R0.16 CC(=O)C(=N)C(=O)[O] CNP0577857.0 [0,1,0,0,1,0|0,0,2]=4 592 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,1,0,0,1,0|1,0,0]=3 593 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,1,0|0,0,0]=2 594 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,1,0,0,1,0|2,0,0]=4 595 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,1,0|0,0,0]=2 596 B7R0.16 CC(C(=O)N)C(=O)N CNP0110933.0 [0,1,0,0,1,0|2,0,0]=4 597 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,1,0,0,1,0|1,0,0]=3 598 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,0,0,1,0|1,0,1]=4 599 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,0,0,1,0|1,0,1]=4 600 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,0,0,1,0|1,0,1]=4 601 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,0,0,1,0|1,0,1]=4 602 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,1,0,0,1,0|1,0,1]=4 603 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,1,0,0,1,0|1,0,1]=4 604 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,1,0,0,1,0|1,0,0]=3 605 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,1,0,0,1,0|2,0,0]=4 606 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,1,0,0,1,0|1,0,1]=4 607 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,1,0,0,1,0|1,0,1]=4 608 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,1,0,0,1,0|0,0,2]=4 609 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,0,0,1,0|0,0,2]=4 610 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,1,0,0,1,0|0,0,2]=4 611 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,1,0,0,1,0|0,0,2]=4 612 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,1,0,0,1,0|0,0,2]=4 613 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,1,0,0,1,0|0,0,2]=4 614 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,1,0,0,1,0|0,1,1]=4 615 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,1,0,0,1,0|0,1,1]=4 616 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,1,0,0,1,0|1,0,1]=4 617 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,1,0,0,1,0|1,0,1]=4 618 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,0,0,1,0|0,0,2]=4 619 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,1,0,0,1,0|1,0,1]=4 620 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,1,0,0,1,0|1,0,1]=4 621 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,0,0,1,0|0,0,2]=4 622 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,1,0,0,1,0|0,0,2]=4 623 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,0,0,1,0|0,0,2]=4 624 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,1,0,0,1,0|0,0,2]=4 625 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,1,0,0,1,0|0,1,1]=4 626 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,1,0,0,1,0|0,1,1]=4 627 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,1,0,0,1,0|1,0,0]=3 628 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,1,0,0,1,0|1,0,1]=4 629 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,1,0,0,1,0|1,0,0]=3 630 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,0,0,1,0|1,0,1]=4 631 B9R0.1 CC(=CCCC(=NO)C)C CNP0212502.0 [0,1,0,0,0,1|2,0,0]=4 632 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [0,1,0,0,0,1|1,0,0]=3 633 B9R0.1 CC(=O)OCC=C(C)CO CNP0248303.0 [0,1,0,0,0,1|1,0,1]=4 634 B9R0.1 CCC(=O)OCC[N+](=O)[O-] CNP0502112.0 [0,1,0,0,0,1|1,0,1]=4 635 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,1,0,0,0,1|1,0,1]=4 636 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,1,0,0,0,1|0,0,0]=2 637 B9R0.1 COC(=O)CCCC(=O)Cl CNP0360552.0 [0,1,0,0,0,1|1,0,0]=3 638 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,1,0,0,0,1|0,0,0]=2 639 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,1|1,0,1]=4 640 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,1,0,0,0,1|2,0,0]=4 641 B9R0.1 COC(=O)CONC(=O)C CNP0170381.0 [0,1,0,0,0,1|1,0,0]=3 642 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,1,0,0,0,1|1,0,0]=3 643 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,1,0,0,0,1|1,0,0]=3 644 B9R0.7 C=C(CCC(=O)O)C(=O)O CNP0610121.0 [0,1,0,0,0,1|1,0,0]=3 645 B9R0.7 C=C(Cl)CC[C@@H](N)C(=O)O CNP0253011.1 [0,1,0,0,0,1|1,0,1]=4 646 B9R0.7 C=C(Cl)CC[C@H](N)C(=O)O CNP0253011.2 [0,1,0,0,0,1|1,0,1]=4 647 B9R0.7 CC(=CCC(=O)O)C(=O)O CNP0023661.0 [0,1,0,0,0,1|1,0,1]=4 648 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,1,0,0,0,1|1,0,0]=3 649 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,1,0,0,0,1|0,0,0]=2 650 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,1,0,0,0,1|0,0,0]=2 651 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,1,0,0,0,1|0,0,0]=2 652 B9R0.7 CC(=O)NN=C(C)C(=O)O CNP0443489.0 [0,1,0,0,0,1|1,0,1]=4 653 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,1,0,0,0,1|0,0,0]=2 654 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,1,0,0,0,1|0,0,0]=2 655 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,1,0,0,0,1|0,0,0]=2 656 B9R0.7 CC(=O)[C@@H](C)CCC(=O)O CNP0449435.1 [0,1,0,0,0,1|0,0,0]=2 657 B9R0.7 CC(=O)[C@H](C)CCC(=O)O CNP0449435.2 [0,1,0,0,0,1|0,0,0]=2 658 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,1,0,0,0,1|1,0,1]=4 659 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,1,0,0,0,1|1,0,1]=4 660 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,1,0,0,0,1|1,0,1]=4 661 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,1,0,0,0,1|1,0,0]=3 662 B9R0.7 CC(CNC(=O)N)C(=O)O CNP0374758.0 [0,1,0,0,0,1|1,0,0]=3 663 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,1,0,0,0,1|1,0,1]=4 664 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,1,0,0,0,1|0,0,2]=4 665 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,1,0,0,0,1|2,0,0]=4 666 B9R0.7 C[As](C)SC[C@H](N)C(=O)O CNP0580448.1 [0,1,0,0,0,1|2,0,0]=4 667 B9R0.7 C[C@@H](O)C(=O)CCC(=O)O CNP0134105.1 [0,1,0,0,0,1|0,0,2]=4 668 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CNP0313110.1 [0,1,0,0,0,1|1,0,0]=3 669 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,1,0,0,0,1|0,0,2]=4 670 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,1,0,0,0,1|2,0,0]=4 671 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,1,0,0,0,1|2,0,0]=4 672 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [0,1,0,0,0,1|1,0,1]=4 673 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [0,1,0,0,0,1|1,0,1]=4 674 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [0,1,0,0,0,1|1,0,1]=4 675 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [0,1,0,0,0,1|1,0,1]=4 676 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [0,1,0,0,0,1|1,0,1]=4 677 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [0,1,0,0,0,1|1,0,1]=4 678 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [0,1,0,0,0,1|1,0,1]=4 679 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,1,0,0,0,1|2,0,0]=4 680 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,1,0,0,0,1|2,0,0]=4 681 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,1,0,0,0,1|2,0,0]=4 682 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,1,0,0,0,1|2,0,0]=4 683 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,1,0,0,0,1|1,0,0]=3 684 B9R0.7 NC(=O)CCC(=O)C(=O)O CNP0032107.0 [0,1,0,0,0,1|1,0,0]=3 685 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CNP0361973.2 [0,1,0,0,0,1|1,0,0]=3 686 B9R0.7 NC(=O)CC[C@H](N)C(=O)N CNP0387642.1 [0,1,0,0,0,1|2,0,0]=4 687 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CNP0361973.1 [0,1,0,0,0,1|1,0,0]=3 688 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O CNP0532146.2 [0,1,0,0,0,1|1,0,0]=3 689 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CNP0532146.1 [0,1,0,0,0,1|1,0,0]=3 690 B9R0.7 NC(=O)OC[C@@H](N)C(=O)O CNP0393327.1 [0,1,0,0,0,1|1,0,0]=3 691 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CNP0595376.1 [0,1,0,0,0,1|1,0,0]=3 692 B9R0.7 NC(CCC(=O)O)C(=O)[O-] CNP0535517.0 [0,1,0,0,0,1|1,0,0]=3 693 B9R0.7 NC(CCS(=O)O)C(=O)O CNP0027333.0 [0,1,0,0,0,1|2,0,0]=4 694 B9R0.7 NC(CC[P+](=O)O)C(=O)O CNP0250837.0 [0,1,0,0,0,1|2,0,0]=4 695 B9R0.7 NC(CNC(=O)O)C(=O)O CNP0158277.0 [0,1,0,0,0,1|1,0,0]=3 696 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CNP0191057.1 [0,1,0,0,0,1|1,0,0]=3 697 B9R0.7 N[C@@H](CCP(=O)O)C(=O)O CNP0424644.2 [0,1,0,0,0,1|2,0,0]=4 698 B9R0.7 N[C@@H](CC[P@@H](=O)O)C(=O)O CNP0424644.1 [0,1,0,0,0,1|2,0,0]=4 699 B9R0.7 N[C@@H](CN[N+](=O)[O-])C(=O)O CNP0526957.1 [0,1,0,0,0,1|2,0,0]=4 700 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CNP0191057.2 [0,1,0,0,0,1|1,0,0]=3 701 B9R0.7 O=C(O)C(=O)CC[P@@H](=O)O CNP0360014.1 [0,1,0,0,0,1|2,0,0]=4 702 B9R0.7 O=C(O)CCC(=O)C(=O)O CNP0115442.0 [0,1,0,0,0,1|1,0,0]=3 703 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O CNP0156996.1 [0,1,0,0,0,1|1,0,0]=3 704 B9R0.7 O=C(O)CC[C@H](O)C(=O)O CNP0156996.2 [0,1,0,0,0,1|1,0,0]=3 705 B9R0.7 O=C([O-])CCC(=O)C(=O)O CNP0505801.0 [0,1,0,0,0,1|1,0,0]=3 706 B9R0.53 CC(=CC(=O)O)CC(=O)O CNP0273372.0 [0,1,0,0,0,1|1,0,1]=4 707 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,1,0,0,0,1|1,0,0]=3 708 B9R0.53 CC(=O)OC(C)OC(=O)C CNP0079847.0 [0,1,0,0,0,1|2,0,0]=4 709 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,1,0,0,0,1|0,0,0]=2 710 B9R0.53 CC(=O)SC(C)SC(=O)C CNP0002805.0 [0,1,0,0,0,1|2,0,0]=4 711 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,1,0,0,0,1|1,0,1]=4 712 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,1,0,0,0,1|1,0,1]=4 713 B9R0.53 CC(CC(=O)O)CC(=O)O CNP0316583.0 [0,1,0,0,0,1|1,0,0]=3 714 B9R0.53 C[C@@H](CC(=O)O)O[N+](=O)[O-] CNP0602674.2 [0,1,0,0,0,1|2,0,0]=4 715 B9R0.53 C[C@H](CC(=O)O)O[N+](=O)[O-] CNP0602674.1 [0,1,0,0,0,1|2,0,0]=4 716 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,1,0,0,0,1|1,0,1]=4 717 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,1,0,0,0,1|1,0,1]=4 718 B9R0.53 NC(CC(=O)O)CC(=O)O CNP0324847.0 [0,1,0,0,0,1|1,0,0]=3 719 B9R0.53 O=C(O)CC(=O)CC(=O)O CNP0280291.0 [0,1,0,0,0,1|1,0,0]=3 720 B9R0.53 O=C(O)CC(=O)C[N+](=O)[O-] CNP0495768.0 [0,1,0,0,0,1|2,0,0]=4 721 B9R0.53 O=C(O)CC(O)CC(=O)O CNP0395942.0 [0,1,0,0,0,1|1,0,0]=3 722 B9R0.56 C=C(C)CCOP(=O)(O)O CNP0343478.0 [0,1,0,0,0,1|2,0,0]=4 723 B9R0.56 CC(=O)NCCP(=O)(O)O CNP0381814.0 [0,1,0,0,0,1|1,0,0]=3 724 B9R0.56 CC(=O)NCCS(=O)(=O)O CNP0083041.0 [0,1,0,0,0,1|1,0,0]=3 725 B9R0.56 CC(=O)OCCS(=O)(=O)Cl CNP0150555.0 [0,1,0,0,0,1|1,0,1]=4 726 B9R0.56 C[N+](C)(C)CCCC(=O)O CNP0083679.0 [0,1,0,0,0,1|2,0,0]=4 727 B9R0.56 O=C(O)CNCP(=O)(O)O CNP0340108.0 [0,1,0,0,0,1|2,0,0]=4 728 B9R0.21 C=C(C=O)CCP(=O)(O)O CNP0489893.0 [0,2,0,0,0,0|1,0,1]=4 729 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [0,2,0,0,0,0|1,0,1]=4 730 B9R0.21 COC(=O)CCS(=O)(=O)C CNP0017539.0 [0,2,0,0,0,0|1,0,0]=3 731 B9R0.21 NCC(=O)COP(=O)(O)O CNP0333059.0 [0,2,0,0,0,0|2,0,0]=4 732 B9R0.21 O=C(CO)COP(=O)(O)O CNP0257378.0 [0,2,0,0,0,0|2,0,0]=4 733 B9R0.21 O=C(CO)COS(=O)(=O)O CNP0086985.0 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [0,2,0,0,0,0|1,0,1]=4 735 B9R0.23 CCC(=O)[C@H](C)NC(=O)C CNP0481788.1 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,2,0,0,0,0|1,0,1]=4 737 B9R0.23 COC(=O)C(=CC(=O)O)C CNP0215692.0 [0,2,0,0,0,0|0,0,2]=4 738 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [0,2,0,0,0,0|0,0,0]=2 739 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,2,0,0,0,0|1,0,1]=4 740 B9R0.23 COC(=O)[C@@H](N)CC(=O)N CNP0041402.1 [0,2,0,0,0,0|1,0,0]=3 741 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,2,0,0,0,0|1,0,1]=4 742 B9R0.23 COC(=O)[C@@H](O)CC(=O)C CNP0113476.2 [0,2,0,0,0,0|0,0,0]=2 743 B9R0.23 COC(=O)[C@H](N)CC(=O)N CNP0041402.2 [0,2,0,0,0,0|1,0,0]=3 744 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,2,0,0,0,0|1,0,1]=4 745 B9R0.23 COC(=O)[C@H](O)CC(=O)C CNP0113476.1 [0,2,0,0,0,0|0,0,0]=2 746 B9R0.23 COC(=O)[C@H](O)CC(=O)O CNP0269332.1 [0,2,0,0,0,0|0,0,0]=2 747 B9R0.23 CSC(=O)C(C)OC(=O)C CNP0019263.0 [0,2,0,0,0,0|1,1,0]=4 748 B9R0.23 NC(CC(=O)O)C(=O)O[K+] CNP0611577.0 [0,2,0,0,0,0|1,0,0]=3 749 B9R0.23 N[C@H](CC(=O)O)C(=O)O[K+] CNP0611577.1 [0,2,0,0,0,0|1,0,0]=3 750 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO CNP0393490.1 [0,2,0,0,0,0|0,0,2]=4 751 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,2,0,0,0,0|1,0,0]=3 752 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,2,0,0,0,0|1,0,1]=4 753 B9R0.24 CNC(=O)CNC(=O)CN CNP0047702.0 [0,2,0,0,0,0|2,0,0]=4 754 B9R0.24 COC(=O)C#CC(=O)OC CNP0341643.0 [0,2,0,0,0,0|0,0,2]=4 755 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [0,2,0,0,0,0|0,0,2]=4 756 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,2,0,0,0,0|0,0,0]=2 757 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,2,0,0,0,0|0,0,0]=2 758 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,2,0,0,0,0|0,0,0]=2 759 B9R0.24 COC(=O)NNC(=O)OC CNP0145555.0 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.42 C#C[C@H](C)C[C@H](N)C(=O)O CNP0212234.1 [0,2,0,0,0,0|1,0,1]=4 761 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,2,0,0,0,0|1,0,0]=3 762 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,2,0,0,0,0|1,0,0]=3 763 B9R0.42 C=C(CC(=O)OC)C(=O)O CNP0268165.0 [0,2,0,0,0,0|0,0,1]=3 764 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,2,0,0,0,0|1,0,0]=3 765 B9R0.42 C=C[C@@H](C)C[C@H](N)C(=O)O CNP0160242.1 [0,2,0,0,0,0|1,0,1]=4 766 B9R0.42 C=C[C@H](C)C[C@H](N)C(=O)O CNP0160242.2 [0,2,0,0,0,0|1,0,1]=4 767 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,2,0,0,0,0|1,0,1]=4 768 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [0,2,0,0,0,0|0,0,0]=2 769 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,2,0,0,0,0|0,0,0]=2 770 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,2,0,0,0,0|1,0,1]=4 771 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,2,0,0,0,0|0,0,2]=4 772 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,2,0,0,0,0|1,0,1]=4 773 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [0,2,0,0,0,0|1,0,1]=4 774 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [0,2,0,0,0,0|1,0,1]=4 775 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [0,2,0,0,0,0|1,0,1]=4 776 B9R0.42 CNC(=O)NC(=O)C(=O)O CNP0105144.0 [0,2,0,0,0,0|1,0,1]=4 777 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [0,2,0,0,0,0|0,0,0]=2 778 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,2,0,0,0,0|0,0,0]=2 779 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,2,0,0,0,0|0,0,0]=2 780 B9R0.42 C[C@@H](NC(=O)CN)C(=O)O CNP0299268.2 [0,2,0,0,0,0|1,0,0]=3 781 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,2,0,0,0,0|1,0,1]=4 782 B9R0.42 C[C@H](NC(=O)CN)C(=O)O CNP0299268.1 [0,2,0,0,0,0|1,0,0]=3 783 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,2,0,0,0,0|0,0,2]=4 784 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,2,0,0,0,0|0,0,2]=4 785 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,2,0,0,0,0|0,0,0]=2 786 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O CNP0289364.1 [0,2,0,0,0,0|1,0,0]=3 787 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O CNP0186686.1 [0,2,0,0,0,0|2,0,0]=4 788 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O CNP0264056.1 [0,2,0,0,0,0|1,0,1]=4 789 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,2,0,0,0,0|0,0,2]=4 790 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,2,0,0,0,0|0,0,2]=4 791 B9R0.48 C=CCC(=O)NCC(=O)O CNP0002379.0 [0,2,0,0,0,0|1,0,0]=3 792 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,2,0,0,0,0|1,0,0]=3 793 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,2,0,0,0,0|2,0,0]=4 794 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,2,0,0,0,0|1,0,0]=3 795 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,2,0,0,0,0|1,0,1]=4 796 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,2,0,0,0,0|0,0,2]=4 797 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,2,0,0,0,0|1,0,1]=4 798 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,2,0,0,0,0|0,0,2]=4 799 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,2,0,0,0,0|0,0,2]=4 800 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,2,0,0,0,0|0,0,0]=2 801 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,2,0,0,0,0|1,0,0]=3 802 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,2,0,0,0,0|0,0,0]=2 803 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,2,0,0,0,0|1,0,1]=4 804 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,2,0,0,0,0|1,0,1]=4 805 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,2,0,0,0,0|1,0,1]=4 806 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,2,0,0,0,0|1,1,0]=4 807 B9R0.48 COCC(=O)NCC(=O)O CNP0277433.0 [0,2,0,0,0,0|1,0,0]=3 808 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [0,2,0,0,0,0|0,0,0]=2 809 B9R0.64 C=CS(=O)(=O)CCC(=O)C CNP0167386.0 [0,2,0,0,0,0|1,0,1]=4 810 B9R0.11 CC(=O)NC(C)(C)C(=O)O CNP0548833.0 [0,2,0,0,0,0|1,0,0]=3 811 B9R0.11 CC(=O)OC(C)(C)C(=O)O CNP0299656.0 [0,2,0,0,0,0|1,0,0]=3 812 B9R0.11 CC(C)(CC(=O)O)C(=O)O CNP0354982.0 [0,2,0,0,0,0|1,0,0]=3 813 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CNP0508050.1 [0,2,0,0,0,0|1,0,1]=4 814 B9R0.11 CC(C)[C@@](C)(O)CC(=O)O CNP0235534.2 [0,2,0,0,0,0|1,0,1]=4 815 B9R0.11 CC(C)[C@](C)(O)CC(=O)O CNP0235534.1 [0,2,0,0,0,0|1,0,1]=4 816 B9R0.11 C[C@@](O)(CC(=O)O)C(=O)O CNP0272259.2 [0,2,0,0,0,0|1,0,0]=3 817 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CNP0128541.1 [0,2,0,0,0,0|1,0,0]=3 818 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O CNP0272259.1 [0,2,0,0,0,0|1,0,0]=3 819 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CNP0157865.1 [0,2,0,0,0,0|1,0,0]=3 820 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CNP0541980.2 [0,2,0,0,0,0|1,0,0]=3 821 B9R0.39 CC(=O)N[C@@H](CS)C(=O)[O-] CNP0541980.3 [0,2,0,0,0,0|1,0,1]=4 822 B9R0.39 CC(=O)N[C@H](CO)C(=O)O CNP0157865.2 [0,2,0,0,0,0|1,0,0]=3 823 B9R0.39 CC(=O)N[C@H](CS)C(=O)O CNP0541980.1 [0,2,0,0,0,0|1,0,0]=3 824 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [0,2,0,0,0,0|1,0,1]=4 825 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,2,0,0,0,0|1,0,1]=4 826 B9R0.39 CC[C@@H](CC(=O)O)C(C)C CNP0293988.1 [0,2,0,0,0,0|1,0,1]=4 827 B9R0.39 CC[C@H](CC(=O)O)C(C)C CNP0293988.2 [0,2,0,0,0,0|1,0,1]=4 828 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CNP0177941.1 [0,2,0,0,0,0|1,0,0]=3 829 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,2,0,0,0,0|1,0,1]=4 830 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CNP0177941.2 [0,2,0,0,0,0|1,0,0]=3 831 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,2,0,0,0,0|1,0,1]=4 832 B9R0.39 CO[C@@H](C[S+](C)C)C(=O)O CNP0328625.1 [0,2,0,0,0,0|2,0,0]=4 833 B9R0.39 O=C(O)CC(=NO)C(=O)O CNP0331381.0 [0,2,0,0,0,0|1,0,1]=4 834 B9R0.39 O=C(O)CC(S[Au])C(=O)[O-] CNP0546891.0 [0,2,0,0,0,0|1,0,0]=3 835 B9R0.39 O=C(O)C[C@H](NO)C(=O)O CNP0495196.1 [0,2,0,0,0,0|1,0,0]=3 836 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,2,0,0,0,0|0,0,2]=4 837 B9R0.57 C[Se](=O)(=O)C[C@H](N)C(=O)O CNP0250364.1 [0,2,0,0,0,0|1,0,0]=3 838 B9R0.57 NC(=O)[C@@H](N)CS(=O)(=O)O CNP0330582.1 [0,2,0,0,0,0|2,0,0]=4 839 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O CNP0302280.1 [0,2,0,0,0,0|2,0,0]=4 840 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CNP0171540.1 [0,2,0,0,0,0|2,0,0]=4 841 B9R0.57 N[C@@H](C[Se](=O)(=O)O)C(=O)O CNP0178375.1 [0,2,0,0,0,0|2,0,0]=4 842 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O CNP0302280.2 [0,2,0,0,0,0|2,0,0]=4 843 B9R0.57 N[C@H](CS(=O)(=O)O)C(=O)O CNP0171540.2 [0,2,0,0,0,0|2,0,0]=4 844 B9R0.57 O=C(O)[C@@H](O)CS(=O)(=O)O CNP0441591.2 [0,2,0,0,0,0|2,0,0]=4 845 B9R0.57 O=C(O)[C@H](O)CS(=O)(=O)O CNP0441591.1 [0,2,0,0,0,0|2,0,0]=4 846 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,2,0,0,0,0|0,0,0]=2 847 B9R0.79 CC(C(=O)O)C(O)C(=O)O CNP0389403.0 [0,2,0,0,0,0|1,0,0]=3 848 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,2,0,0,0,0|1,0,1]=4 849 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,2,0,0,0,0|1,0,1]=4 850 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,2,0,0,0,0|1,0,1]=4 851 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CNP0207254.1 [0,2,0,0,0,0|0,0,2]=4 852 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.3 [0,2,0,0,0,0|1,0,0]=3 853 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O CNP0145272.1 [0,2,0,0,0,0|0,0,2]=4 854 B9R0.79 C[C@@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.6 [0,2,0,0,0,0|0,0,2]=4 855 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](N)C(=O)O CNP0207254.7 [0,2,0,0,0,0|0,0,2]=4 856 B9R0.79 C[C@@H]([C@H](C)O)[C@H](N)C(=O)O CNP0207254.3 [0,2,0,0,0,0|0,0,2]=4 857 B9R0.79 C[C@@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.4 [0,2,0,0,0,0|0,0,2]=4 858 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O CNP0165783.1 [0,2,0,0,0,0|1,0,0]=3 859 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.2 [0,2,0,0,0,0|1,0,0]=3 860 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.5 [0,2,0,0,0,0|0,0,2]=4 861 B9R0.79 C[C@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.2 [0,2,0,0,0,0|0,0,2]=4 862 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O CNP0276088.1 [0,2,0,0,0,0|1,0,0]=3 863 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)N CNP0226713.1 [0,2,0,0,0,0|2,0,0]=4 864 B9R0.79 NC(=O)[C@H](O)[C@H](N)C(=O)O CNP0276088.2 [0,2,0,0,0,0|1,0,0]=3 865 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.3 [0,2,0,0,0,0|1,0,0]=3 866 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.4 [0,2,0,0,0,0|1,0,0]=3 867 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.2 [0,2,0,0,0,0|1,0,0]=3 868 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O CNP0266358.1 [0,2,0,0,0,0|1,0,0]=3 869 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.1 [0,2,0,0,0,0|1,0,0]=3 870 B9R0.79 O=C(O)C(O)C(O)C(=O)O CNP0549774.0 [0,2,0,0,0,0|1,0,0]=3 871 B9R0.79 O=C(O)[C@@H](Br)[C@@H](Br)C(=O)O CNP0444588.2 [0,2,0,0,0,0|1,0,0]=3 872 B9R0.79 O=C(O)[C@@H](Br)[C@H](Br)C(=O)O CNP0444588.1 [0,2,0,0,0,0|1,0,0]=3 873 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O CNP0131308.3 [0,2,0,0,0,0|1,0,0]=3 874 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O CNP0131308.1 [0,2,0,0,0,0|1,0,0]=3 875 B9R0.79 O=C(O)[C@@H](S)[C@@H](S)C(=O)O CNP0437061.1 [0,2,0,0,0,0|1,0,0]=3 876 B9R0.79 O=C(O)[C@H](Br)[C@@H](Br)C(=O)O CNP0444588.3 [0,2,0,0,0,0|1,0,0]=3 877 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CNP0131308.2 [0,2,0,0,0,0|1,0,0]=3 878 B9R0.79 O=C([O-])C(O)C(O)C(=O)O CNP0547326.0 [0,2,0,0,0,0|1,0,0]=3 879 B9R0.79 O=C([O-])C(O)C(O)C(=O)O CNP0567725.0 [0,2,0,0,0,0|1,0,0]=3 880 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] CNP0548568.0 [0,2,0,0,0,0|1,0,1]=4 881 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] CNP0563528.0 [0,2,0,0,0,0|1,0,1]=4 882 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O CNP0542801.1 [0,2,0,0,0,0|1,0,0]=3 883 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O CNP0584343.1 [0,2,0,0,0,0|1,0,0]=3 884 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] CNP0536809.1 [0,2,0,0,0,0|1,0,1]=4 885 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,1,0,0|1,0,0]=3 886 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,0,0,1,0,0|2,0,0]=4 887 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,1,0,0|2,0,0]=4 888 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [1,0,0,1,0,0|1,1,0]=4 889 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|0,0,1]=3 890 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|1,0,1]=4 891 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|1,0,1]=4 892 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|0,1,1]=4 893 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,1]=4 894 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|0,0,1]=3 895 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|0,0,1]=3 896 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [1,0,0,1,0,0|1,0,1]=4 897 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,0,0,1,0,0|0,0,2]=4 898 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,0,0,1,0,0|0,0,2]=4 899 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [1,0,0,1,0,0|1,0,0]=3 900 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,0,0,1,0,0|0,0,0]=2 901 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [1,0,0,1,0,0|1,0,0]=3 902 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,1,0,0|0,0,0]=2 903 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,1,0,0|1,0,1]=4 904 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,1,0,0|1,0,1]=4 905 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [1,0,0,1,0,0|2,0,0]=4 906 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [1,0,0,1,0,0|2,0,0]=4 907 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|1,0,1]=4 908 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|1,0,1]=4 909 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|1,0,1]=4 910 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|1,0,1]=4 911 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,1,0,0|2,0,0]=4 912 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,1,0,0|1,0,0]=3 913 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|0,0,1]=3 914 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|1,0,1]=4 915 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,1]=4 916 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,1]=3 917 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,1,0,0|2,0,0]=4 918 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,1,0,0|1,0,1]=4 919 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|1,0,1]=4 920 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,1]=4 921 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [1,0,0,1,0,0|1,0,0]=3 922 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [1,0,0,1,0,0|1,0,1]=4 923 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [1,0,0,1,0,0|1,0,0]=3 924 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [1,0,0,1,0,0|0,0,2]=4 925 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|0,1,1]=4 926 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,1,0,0|1,0,1]=4 927 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,1,0,0|1,0,1]=4 928 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,0,0,1,0,1|1,0,0]=3 929 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,0,0,1,0,1|0,0,0]=2 930 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,0,0,1,0,1|1,0,1]=4 931 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,0,0,1,0,1|1,0,1]=4 932 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,0,0,1,0,1|1,0,1]=4 933 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,0,0,1,0,1|2,0,0]=4 934 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,0,0,1,0,1|0,0,2]=4 935 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,1|1,0,1]=4 936 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,1,0,1|1,0,1]=4 937 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,1,0,1|1,0,1]=4 938 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,0,0,1,0,1|0,0,2]=4 939 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,1,0,1|1,0,1]=4 940 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,1,0,1|1,0,1]=4 941 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,1,0,1|1,0,1]=4 942 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CNP0295319.2 [0,0,0,1,0,1|2,0,0]=4 943 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 CNP0295319.1 [0,0,0,1,0,1|2,0,0]=4 944 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,0,0,1,0,1|1,0,0]=3 945 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,0,0,1,0,1|1,0,1]=4 946 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,0,0,1,0,1|1,0,1]=4 947 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,0,0,1,0,1|0,0,2]=4 948 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [0,0,0,1,0,1|1,0,1]=4 949 B9R1.35 O=C(O)[C@@H]1CSC(=N1)S CNP0535446.1 [0,0,0,1,0,1|1,1,0]=4 950 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 CNP0338820.1 [0,0,0,1,0,1|1,1,0]=4 951 B9R1.35 O=C(O)[C@@H]1CS[S+](C1)[O-] CNP0513817.2 [0,0,0,1,0,1|1,0,1]=4 952 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,0,0,1,0,1|0,0,2]=4 953 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,0,0,1,0,1|0,0,2]=4 954 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [0,0,0,1,0,1|1,0,1]=4 955 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [0,0,0,1,0,1|0,1,0]=3 956 B9R1.35 O=C(O)[C@H]1CSC(=S)N1 CNP0338820.2 [0,0,0,1,0,1|1,1,0]=4 957 B9R1.35 O=C(O)[C@H]1CS[S+](C1)[O-] CNP0513817.3 [0,0,0,1,0,1|1,0,1]=4 958 B9R1.35 O=C(O)[C@H]1CS[S@+](C1)[O-] CNP0513817.1 [0,0,0,1,0,1|1,0,1]=4 959 B9R1.35 O=C(O)[C@H]1CS[S@@+](C1)[O-] CNP0513817.4 [0,0,0,1,0,1|1,0,1]=4 960 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,0,0,1,0,1|0,0,2]=4 961 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,0,0,1,0,1|0,0,2]=4 962 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,0,0,1,0,1|1,0,1]=4 963 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,0,0,1,0,1|1,0,0]=3 964 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,0,0,1,0,1|1,0,0]=3 965 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,0,0,1,0,1|1,0,0]=3 966 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,1,0,1|0,0,0]=2 967 B9R1.35 O=C1NCC(N1)C(=O)O CNP0324165.0 [0,0,0,1,0,1|1,0,0]=3 968 B9R1.35 O=C1N[C@@H](CS1)C(=O)O CNP0361457.2 [0,0,0,1,0,1|1,0,0]=3 969 B9R1.35 O=C1N[C@H](CS1)C(=O)O CNP0361457.1 [0,0,0,1,0,1|1,0,0]=3 970 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,0,0,1,0,1|1,0,1]=4 971 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,0,0,1,0,1|1,0,1]=4 972 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,0,0,1,0,1|1,0,1]=4 973 B9R1.161 C[S+](C)C1CC1C(=O)O CNP0340277.0 [0,0,0,1,0,1|2,0,0]=4 974 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CNP0465575.1 [0,0,0,1,0,1|1,0,0]=3 975 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O CNP0251636.1 [0,0,0,1,0,1|1,0,0]=3 976 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O CNP0465575.2 [0,0,0,1,0,1|1,0,0]=3 977 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CNP0465575.3 [0,0,0,1,0,1|1,0,0]=3 978 B9R1.161 O=C(O)[C@H]1N[C@@H]1C(=O)O CNP0156205.1 [0,0,0,1,0,1|1,0,0]=3 979 B9R1.161 O=C(O)[C@H]1N[C@H]1C(=O)O CNP0156205.2 [0,0,0,1,0,1|1,0,0]=3 980 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O CNP0251636.3 [0,0,0,1,0,1|1,0,0]=3 981 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O CNP0251636.2 [0,0,0,1,0,1|1,0,0]=3 982 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,1,0,1,0,0|1,0,1]=4 983 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|1,0,0]=3 984 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|0,0,2]=4 986 B9R1.69 CN1CCC(=O)NC1=O CNP0053056.0 [0,1,0,1,0,0|2,0,0]=4 987 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,1,0,1,0,0|1,0,1]=4 988 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|1,0,1]=4 989 B9R1.69 C[C@@H]1NC(=O)CNC1=O CNP0190271.1 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|1,0,1]=4 991 B9R1.69 C[C@H]1NC(=O)CNC1=O CNP0190271.2 [0,1,0,1,0,0|2,0,0]=4 992 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,1,0,1,0,0|0,0,2]=4 993 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,1,0,0|0,0,2]=4 994 B9R1.125 C=CC1(CCC(=O)O1)C CNP0341884.0 [0,1,0,1,0,0|1,0,1]=4 995 B9R1.38 CC1(OC(=O)C[C@H]1O)C CNP0199015.1 [0,1,0,1,0,0|1,0,1]=4 996 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [0,1,0,1,0,0|1,0,0]=3 997 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [0,1,0,1,0,0|1,0,0]=3 998 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [0,1,0,1,0,0|1,0,0]=3 999 B9R1.112 CC(=O)[C@H](C)CC1=CC1 CNP0344604.1 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,1,0,1,0,0|1,0,1]=4 1001 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,1,0,1,0,0|0,0,2]=4 1002 B9R1.198 CS1(=O)(CCC(=O)O1)O CNP0407926.0 [0,1,0,1,0,0|1,0,0]=3 1003 B9R2.150 O=C(O)[C@H]1N[C@H]2[C@@H]1C2 CNP0249310.1 [0,0,0,2,0,0|1,0,1]=4 1004 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,0,0,2,0|2,0,0]=4 1005 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,0,0,0,2,0|2,0,0]=4 1006 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,0,0,0,2,0|2,0,0]=4 1007 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,0,0,2,0|1,0,0]=3 1008 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,0,0,0,2,0|1,0,1]=4 1009 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,0,0,0,2,0|1,0,1]=4 1010 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,0,0,0,2,0|0,0,2]=4 1011 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,0,0,2,0|2,0,0]=4 1012 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,0,0,0,2,0|1,0,0]=3 1013 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,0,0,2,0|1,0,0]=3 1014 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,0,0,0,2,0|1,0,0]=3 1015 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,0,0,0,2,0|0,0,0]=2 1016 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,0,0,0,2,0|0,0,2]=4 1017 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,0,0,0,2,0|1,0,1]=4 1018 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,0,0,0,2,0|1,0,1]=4 1019 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,0,0,0,2,0|1,0,1]=4 1020 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,0,0,0,2,0|1,0,1]=4 1021 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,2,0|0,0,2]=4 1022 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,0,0,0,2,0|1,0,1]=4 1023 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,2,0|0,0,2]=4 1024 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,0,0,0,2,0|0,1,1]=4 1025 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,0,0,0,2,0|2,0,0]=4 1026 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,0,0,0,2,0|1,0,0]=3 1027 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,0,0,0,2,0|2,0,0]=4 1028 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,0,0,0,2,0|1,0,0]=3 1029 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,0,0,0,2,0|1,0,0]=3 1030 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,0,0,0,0,2|0,0,0]=2 1031 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [0,0,0,0,0,2|1,0,0]=3 1032 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [0,0,0,0,0,2|0,0,1]=3 1033 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [0,0,0,0,0,2|0,0,0]=2 1034 B9R0.55 CC(=O)NCCNC(=O)C CNP0287260.0 [0,0,0,0,0,2|1,0,0]=3 1035 B9R0.55 CC(=O)OCCC[N+](=O)[O-] CNP0400993.0 [0,0,0,0,0,2|1,0,1]=4 1036 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,0,0,0,0,2|1,0,1]=4 1037 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,0,0,0,0,2|0,0,2]=4 1038 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,0,0,0,0,2|2,0,0]=4 1039 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,0,0,0,0,2|2,0,0]=4 1040 B9R0.55 N=C(N)NCCCC(=O)O CNP0565409.0 [0,0,0,0,0,2|2,0,0]=4 1041 B9R0.55 NC(=NCCCC(=O)O)N CNP0333230.0 [0,0,0,0,0,2|2,0,0]=4 1042 B9R0.55 NC(=O)CCCCC(=O)N CNP0104382.0 [0,0,0,0,0,2|2,0,0]=4 1043 B9R0.55 NC(=O)NCCCC(=O)O CNP0167058.0 [0,0,0,0,0,2|1,0,0]=3 1044 B9R0.55 O=C(Cl)CCCCC(=O)Cl CNP0235392.0 [0,0,0,0,0,2|2,0,0]=4 1045 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,0,0,0,0,2|1,0,0]=3 1046 B9R0.55 O=C(O)CC=CCC(=O)O CNP0098647.0 [0,0,0,0,0,2|1,0,0]=3 1047 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [0,0,0,0,0,2|1,0,0]=3 1048 B9R0.55 O=C(O)CCNCC(=O)O CNP0174380.0 [0,0,0,0,0,2|1,0,0]=3