0 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,0,0,0,0,0|1,0,3]=4 13 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,0,0,0,0,0|0,0,2]=2 15 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,0,0,0,0,0|1,0,1]=2 18 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,0,0,0,0,0|0,0,0]=0 24 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,0,0,0,0,0|1,0,0]=1 25 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,0,0,0,0,0|0,0,0]=0 29 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,0,0,0,0,0|1,0,0]=1 32 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,0,0,0,0,0|1,0,0]=1 33 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,0,0,0,0,0|1,0,0]=1 42 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,0,0,0,0,0|2,0,0]=2 60 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,0,0,0,0,0|2,0,2]=4 64 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [1,0,0,0,0,0|0,0,2]=3 68 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.1 CC=NN(C)C=O CNP0241743.0 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,0,0,0,0,0|0,0,2]=3 72 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,0,0,0,0,0|0,0,3]=4 73 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,0,0,0,0|1,0,1]=3 75 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.1 CCCC(C)C#N CNP0583202.0 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,0,0,0,0,0|0,0,0]=1 78 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,0,0,0,0,0|0,0,1]=2 80 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,0,0,0,0,0|0,0,1]=2 84 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.1 CCOC(C)CC CNP0086282.0 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.1 CCOC(C)OC CNP0612171.0 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.1 CCSC(C)SC CNP0611888.0 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.1 COC[C@H](O)CO CNP0105123.2 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.1 NC(C=O)CC=O CNP0515395.0 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [1,0,0,0,0,0|1,0,2]=4 99 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,0,0,0,0,0|0,0,2]=3 101 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [1,0,0,0,0,0|1,0,2]=4 102 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [1,0,0,0,0,0|1,0,2]=4 104 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [1,0,0,0,0,0|1,0,2]=4 105 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,0,0,0,0,0|0,0,2]=3 110 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,0,0,0,0,0|1,0,2]=4 111 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.3 CCC(O)C(C)O CNP0519497.0 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,0,0,0,0,0|1,0,0]=2 118 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,0,0,0,0,0|1,0,0]=2 119 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,0,0,0,0,0|1,0,0]=2 120 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,0,0,0,0,0|0,0,0]=1 121 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [1,0,0,0,0,0|0,0,2]=3 122 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [1,0,0,0,0,0|1,0,1]=3 123 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,0,0,0,0,0|1,0,0]=2 124 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,0,0,0,0,0|1,0,0]=2 126 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,0,0,0,0,0|1,0,0]=2 127 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,0,0,0,0,0|1,0,0]=2 128 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,0,0,0,0,0|1,0,0]=2 129 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,0,0,0,0,0|0,0,0]=1 130 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [1,0,0,0,0,0|1,0,1]=3 132 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,0,0,0,0,0|1,0,0]=2 133 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,0,0,0,0,0|1,0,0]=2 134 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [1,0,0,0,0,0|1,0,0]=2 136 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [1,0,0,0,0,0|1,0,0]=2 137 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [1,0,0,0,0,0|1,0,1]=3 141 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [1,0,0,0,0,0|1,0,0]=2 142 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [1,0,0,0,0,0|1,0,0]=2 143 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [1,0,0,0,0,0|1,0,0]=2 145 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [1,0,0,0,0,0|1,0,0]=2 146 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [1,0,0,0,0,0|2,0,0]=3 150 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [1,0,0,0,0,0|2,0,0]=3 155 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [1,0,0,0,0,0|2,0,0]=3 156 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [1,0,0,0,0,0|2,0,0]=3 158 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [1,0,0,0,0,0|2,0,0]=3 160 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [1,0,0,0,0,0|2,0,0]=3 161 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [1,0,0,0,0,0|2,0,0]=3 162 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [1,0,0,0,0,0|1,0,1]=3 171 B6R0.4 C#CNCC(=O)O CNP0073758.0 [1,0,0,0,0,0|1,0,2]=4 172 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|1,0,2]=4 174 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,0,0,0,0,0|1,0,2]=4 175 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,0,0,0,0|0,0,2]=3 176 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|2,0,1]=4 177 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,0,0,0,0|0,0,2]=3 184 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|1,0,2]=4 185 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|0,0,2]=3 186 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.4 CCCCB(O)O CNP0482760.0 [1,0,0,0,0,0|1,0,1]=3 188 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|1,0,0]=2 189 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|1,0,0]=2 190 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|0,0,0]=1 191 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|0,0,0]=1 193 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|1,0,1]=3 194 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|1,0,1]=3 195 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,0,0,0,0|2,0,0]=3 196 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,0,0,0,0|2,0,0]=3 198 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|1,0,0]=2 199 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,0,0,0,0|2,0,0]=3 200 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|1,0,0]=2 201 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,0,0,0,0,0|2,0,1]=4 202 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|1,0,0]=2 203 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,0,0,0,0|1,0,2]=4 204 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,0,0,0,0|2,0,0]=3 206 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|1,0,0]=2 207 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,0,0,0,0|1,0,1]=3 210 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,0,0,0,0|1,0,2]=4 213 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,0,0,0,0|1,0,0]=2 214 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,0,0,0,0|1,0,2]=4 215 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|1,0,0]=2 216 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,0,0,0,0|1,0,1]=3 217 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|1,0,1]=3 218 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.2 C#C[C@@H](O)[C@H](N)C(=O)O CNP0244576.1 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,1,0,0,0,0|1,0,2]=4 223 B8R0.2 C=C(C(=O)O)[C@H](O)CO CNP0177304.1 [0,1,0,0,0,0|1,0,2]=4 224 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,1,0,0,0,0|1,0,1]=3 225 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,1,0,0,0,0|1,0,1]=3 226 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,1,0,0,0,0|1,0,2]=4 229 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,1,0,0,0,0|1,0,2]=4 230 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,1,0,0,0,0|0,0,1]=2 231 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,1,0,0,0,0|1,0,1]=3 232 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,1,0,0,0,0|1,0,0]=2 234 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,0,0,0,0|1,0,1]=3 235 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,1,0,0,0,0|1,0,0]=2 236 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,1,0,0,0,0|1,0,0]=2 237 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,1,0,0,0,0|1,0,0]=2 238 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,1,0,0,0,0|1,0,0]=2 239 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,1,0,0,0,0|0,0,0]=1 240 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,1,0,0,0,0|0,0,0]=1 241 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,0,0,0,0|1,0,1]=3 242 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,1,0,0,0,0|1,0,0]=2 243 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,1,0,0,0,0|1,0,0]=2 244 B8R0.2 CC[C@H](C)[C@H](C)C(C)C CNP0324956.1 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,1,0,0,0,0|1,0,0]=2 246 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,1,0,0,0,0|1,0,0]=2 247 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,1,0,0,0,0|0,0,0]=1 248 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,1,0,0,0,0|0,0,0]=1 249 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,1,0,0,0,0|1,0,0]=2 250 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,1,0,0,0,0|2,0,0]=3 252 B8R0.2 NC(=O)[C@H](O)[C@H](O)CO CNP0299919.1 [0,1,0,0,0,0|3,0,0]=4 253 B8R0.2 NCC(=O)[C@H](O)C(=O)O CNP0311404.1 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [0,1,0,0,0,0|2,0,0]=3 258 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,1,0,0,0,0|2,0,0]=3 259 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,1,0,0,0,0|2,0,0]=3 260 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [0,1,0,0,0,0|2,0,0]=3 261 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,1,0,0,0,0|2,0,0]=3 262 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [0,1,0,0,0,0|2,0,0]=3 263 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,1,0,0,0,0|2,0,0]=3 264 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,1,0,0,0,0|2,0,0]=3 266 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,1,0,0,0,0|2,0,0]=3 267 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,1,0,0,0,0|2,0,0]=3 268 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,1,0,0,0,0|2,0,0]=3 269 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CNP0144827.5 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,1,0,0,0,0|1,0,2]=4 271 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,1,0,0,0,0|1,0,2]=4 272 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,0,0,0,0|2,0,1]=4 273 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,1,0,0,0,0|1,0,0]=2 274 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,1,0,0,0,0|1,0,1]=3 275 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,1,0,0,0,0|2,0,1]=4 276 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,1,0,0,0,0|1,0,0]=2 277 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,1,0,0,0,0|0,0,0]=1 278 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,1,0,0,0,0|2,0,1]=4 279 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,1,0,0,0,0|1,0,1]=3 280 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,1,0,0,0,0|2,0,1]=4 281 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,1,0,0,0,0|1,0,1]=3 282 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,1,0,0,0,0|1,0,0]=2 283 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,1,0,0,0,0|2,0,0]=3 284 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,1,0,0,0,0|2,0,0]=3 285 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [0,1,0,0,0,0|1,0,1]=3 286 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [0,1,0,0,0,0|1,0,1]=3 287 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,1,0,0,0,0|1,0,1]=3 288 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,1,0,0,0,0|1,0,1]=3 289 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,1,0,0,0,0|1,0,1]=3 290 B8R0.8 C=C=CC[C@H](N)C(=O)O CNP0263596.1 [0,1,0,0,0,0|1,0,2]=4 291 B8R0.8 C=CSC[C@H](N)C(=O)O CNP0135574.1 [0,1,0,0,0,0|1,0,2]=4 292 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [0,1,0,0,0,0|1,0,1]=3 293 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [0,1,0,0,0,0|3,0,0]=4 294 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,1,0,0,0,0|1,0,1]=3 295 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,1,0,0,0,0|1,0,1]=3 296 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,1,0,0,0,0|0,0,3]=4 297 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,1,0,0,0,0|1,0,2]=4 298 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,1,0,0,0,0|1,0,1]=3 299 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,1,0,0,0,0|0,0,1]=2 300 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,0,0,0,0|2,0,1]=4 301 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,0,0,0,0|1,0,1]=3 302 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,1,0,0,0,0|1,0,1]=3 303 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,1,0,0,0,0|0,0,0]=1 304 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,1,0,0,0,0|1,0,0]=2 305 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,1,0,0,0,0|2,0,0]=3 306 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,1,0,0,0,0|1,0,0]=2 307 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,1,0,0,0,0|1,0,0]=2 309 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,1,0,0,0,0|1,0,0]=2 310 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,1,0,0,0,0|1,0,0]=2 311 B8R0.8 CN(CCC#N)C(=O)N CNP0085962.0 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [0,1,0,0,0,0|1,0,2]=4 313 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [0,1,0,0,0,0|1,0,2]=4 314 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,0,0,0,0|2,0,1]=4 315 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,1,0,0,0,0|1,0,1]=3 316 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,1,0,0,0,0|1,0,0]=2 317 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,1,0,0,0,0|1,0,0]=2 318 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,1,0,0,0,0|1,0,0]=2 319 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [0,1,0,0,0,0|2,0,0]=3 320 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [0,1,0,0,0,0|2,0,0]=3 321 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [0,1,0,0,0,0|2,0,0]=3 322 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,1,0,0,0,0|0,0,0]=1 323 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [0,1,0,0,0,0|2,0,1]=4 324 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [0,1,0,0,0,0|2,0,1]=4 325 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,1,0,0,0,0|1,0,0]=2 326 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [0,1,0,0,0,0|2,0,1]=4 327 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [0,1,0,0,0,0|2,0,0]=3 328 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,1,0,0,0,0|1,0,0]=2 329 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [0,1,0,0,0,0|1,0,1]=3 330 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,1,0,0,0,0|1,0,1]=3 331 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,1,0,0,0,0|1,0,0]=2 332 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,1,0,0,0,0|1,0,0]=2 333 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,1,0,0,0,0|1,0,0]=2 334 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [0,1,0,0,0,0|2,0,0]=3 335 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [0,1,0,0,0,0|2,0,0]=3 336 B8R0.8 N[C@@H](C/C=C/Cl)C(=O)O CNP0123957.2 [0,1,0,0,0,0|1,0,2]=4 337 B8R0.8 N[C@@H](C/C=C\Cl)C(=O)O CNP0123957.1 [0,1,0,0,0,0|1,0,2]=4 338 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [0,1,0,0,0,0|1,0,1]=3 339 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,1,0,0,0,0|1,0,0]=2 340 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O CNP0489303.1 [0,1,0,0,0,0|3,0,0]=4 341 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,1,0,0,0,0|1,0,0]=2 342 B8R0.12 C=CCC(C)(N)C(=O)O CNP0555901.0 [0,1,0,0,0,0|0,0,2]=3 343 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [0,1,0,0,0,0|0,0,0]=1 344 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [0,1,0,0,0,0|0,0,0]=1 345 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [0,1,0,0,0,0|0,0,0]=1 346 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [0,1,0,0,0,0|1,0,0]=2 347 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [0,1,0,0,0,0|1,0,0]=2 348 B8R0.12 CNCC(C)(C)C(=O)C CNP0433251.0 [0,1,0,0,0,0|2,0,0]=3 349 B8R0.12 COC[C@@](C)(N)C(=O)O CNP0546199.2 [0,1,0,0,0,0|1,0,0]=2 350 B8R0.12 COC[C@](C)(N)C(=O)O CNP0546199.1 [0,1,0,0,0,0|1,0,0]=2 351 B8R0.12 O=C(O)C(O)(O)CCO CNP0527367.0 [0,1,0,0,0,0|2,0,0]=3 352 B8R0.14 N[C@@H](CCS)S(=O)(=O)O CNP0045993.1 [0,1,0,0,0,0|3,0,0]=4 353 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [0,1,0,0,0,0|0,0,2]=3 354 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [0,1,0,0,0,0|0,0,2]=3 355 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.15 CCCC(CC)C(C)C CNP0495520.0 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,1,0,0,0,0|0,0,0]=1 358 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [0,1,0,0,0,0|1,0,0]=2 359 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O CNP0106223.1 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,1,0,0,0,0|0,0,2]=3 361 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,1,0,0,0,0|2,0,0]=3 363 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,1,0,0,0,0|1,0,2]=4 364 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,1,0,0,0,0|1,0,1]=3 365 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,1,0,0,0,0|1,0,1]=3 367 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,1,0,0,0,0|1,0,1]=3 368 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,1,0,0,0,0|1,0,1]=3 369 B8R0.23 CC(=O)OC(C)C(=O)Cl CNP0312300.0 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,1,0,0,0,0|1,0,1]=3 372 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,0,0,0,0|1,0,1]=3 374 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,1,0,0,0,0|2,0,0]=3 375 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,1,0,0,0,0|1,0,0]=2 376 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,1,0,0,0,0|1,0,0]=2 377 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,1,0,0,0,0|2,0,0]=3 379 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,1,0,0,0,0|1,0,0]=2 380 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,1,0,0,0,0|1,0,0]=2 381 B8R0.23 CC(NC(=N)N)C(=O)O CNP0082989.0 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,1,0,0,0,0|1,0,1]=3 383 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,1,0,0,0,0|1,0,1]=3 385 B8R0.23 C[C@@H](NC(=O)N)C(=O)O CNP0369812.2 [0,1,0,0,0,0|2,0,1]=4 386 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,1,0,0,0,0|1,0,0]=2 387 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,1,0,0,0,0|1,0,0]=2 388 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,1,0,0,0,0|1,0,1]=3 389 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,1,0,0,0,0|1,0,0]=2 390 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,1,0,0,0,0|1,0,0]=2 391 B8R0.23 C[C@H](NC(=O)N)C(=O)O CNP0369812.1 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,1,0,0,0,0|1,0,0]=2 393 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [0,1,0,0,0,0|2,0,0]=3 394 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [0,1,0,0,0,0|2,0,0]=3 395 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [0,1,0,0,0,0|2,0,0]=3 397 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [0,1,0,0,0,0|2,0,0]=3 398 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [0,1,0,0,0,0|2,0,0]=3 399 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,1,0,0,0,0|2,0,0]=3 400 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,1,0,0,0,0|2,0,0]=3 401 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,1,0,0,0,0|2,0,1]=4 402 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.23 NC(CS(=O)=O)C(=O)O CNP0422129.0 [0,1,0,0,0,0|3,0,0]=4 405 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,1,0,0,0,0|3,0,0]=4 406 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [0,1,0,0,0,0|2,0,0]=3 409 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,1,0,0,0,0|3,0,0]=4 410 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,1,0,0,0,0|3,0,0]=4 412 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,1,0,0,0,0|3,0,0]=4 413 B8R0.23 N[C@@H](C[S](=O)=O)C(=O)O CNP0002376.1 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.23 N[C@@H](C[SeH](=O)=O)C(=O)O CNP0497016.1 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,1,0,0,0,0|3,0,0]=4 418 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.23 O=C([O-])CC(O)C(=O)O CNP0534895.0 [0,1,0,0,0,0|2,0,1]=4 424 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,0,1,0,0|2,0,0]=3 425 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,0,0,1,0,0|3,0,0]=4 426 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,0,0,1,0,0|2,0,0]=3 427 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,1,0,0|1,0,0]=2 428 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,0,0,1,0,0|1,0,1]=3 429 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,0,1,0,0|0,0,0]=1 430 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,0,0,1,0,0|2,0,1]=4 431 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,0,0,1,0,0|2,0,1]=4 432 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [0,0,0,1,0,0|2,0,1]=4 433 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [0,0,0,1,0,0|2,0,1]=4 434 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,0,0,1,0,0|2,0,0]=3 435 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [0,0,0,1,0,0|2,0,1]=4 436 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [0,0,0,1,0,0|2,0,1]=4 437 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,0,0,1,0,0|2,0,1]=4 438 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,0,0,1,0,0|2,0,1]=4 439 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,0,0,1,0,0|2,0,1]=4 440 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,0,1,0,0|2,0,0]=3 441 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [0,0,0,1,0,0|2,0,1]=4 442 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [0,0,0,1,0,0|2,0,1]=4 443 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [0,0,0,1,0,0|2,0,1]=4 444 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [0,0,0,1,0,0|2,0,1]=4 445 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,0,1,0,0|2,0,1]=4 446 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,0,1,0,0|2,0,0]=3 447 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,0,0,1,0,0|3,0,0]=4 448 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [0,0,0,1,0,0|2,0,1]=4 449 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [0,0,0,1,0,0|1,0,1]=3 450 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,0,0,1,0,0|2,0,0]=3 451 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,0,0,1,0,0|2,0,0]=3 452 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,0,0,1,0,0|1,0,1]=3 453 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,0,0,1,0,0|1,0,2]=4 454 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,0,0,1,0,0|1,0,2]=4 455 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,0,0,1,0,0|0,0,0]=1 456 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,0,0,1,0,0|1,0,0]=2 457 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,0,0,1,0,0|2,0,0]=3 458 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [0,0,0,1,0,0|2,0,0]=3 459 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,0,0,1,0,0|0,0,2]=3 460 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,0,0,1,0,0|1,0,1]=3 461 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,0,0,1,0,0|1,0,0]=2 462 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,0,0,1,0,0|1,0,0]=2 463 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,0,0,1,0,0|2,0,0]=3 464 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [0,0,0,1,0,0|2,0,0]=3 465 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,0,0,1,0,0|1,0,0]=2 466 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,0,0,1,0,0|1,0,0]=2 467 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,0,0,1,0,0|1,0,0]=2 468 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,0,0,1,0,0|2,0,0]=3 469 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [0,0,0,1,0,0|2,0,0]=3 470 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [0,0,0,1,0,0|2,0,1]=4 471 B8R1.7 S=C(S)N1CCCC1 CNP0337104.0 [0,0,0,1,0,0|1,2,0]=4 472 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,0,0,1,0,0|0,0,2]=3 473 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,0,0,1,0,0|0,0,2]=3 474 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,0,0,1,0,0|1,0,2]=4 475 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,0,0,1,0,0|3,0,0]=4 476 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,0,0,1,0,0|3,0,0]=4 477 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,0,0,1,0,0|1,0,2]=4 478 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,0,0,1,0,0|1,0,1]=3 479 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,0,0,1,0,0|1,0,0]=2 480 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,0,0,1,0,0|2,0,0]=3 481 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,0,0,1,0,0|2,0,1]=4 482 B8R1.18 CC1O[C@@H]([C@H](O1)C)C CNP0305493.1 [0,0,0,1,0,0|2,0,1]=4 483 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,0,0,1,0,0|2,0,1]=4 484 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,0,0,1,0,0|0,0,0]=1 485 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,0,0,1,0,0|1,0,0]=2 486 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,0,0,1,0,0|2,0,1]=4 487 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,0,0,1,0,0|1,0,1]=3 488 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [0,0,0,1,0,0|2,0,1]=4 489 B8R1.37 CCCC(C)C1CO1 CNP0076696.0 [0,0,0,1,0,0|1,0,1]=3 490 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,0,0,1,0,0|2,0,0]=3 491 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [0,0,0,1,0,0|1,0,0]=2 492 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [0,0,0,1,0,0|1,0,0]=2 493 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [0,0,0,0,0,1|1,0,2]=4 494 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [0,0,0,0,0,1|1,0,2]=4 495 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,0,0,0,0,1|2,0,0]=3 496 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,0,0,0,0,1|1,0,1]=3 497 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,0,0,0,0,1|1,0,1]=3 498 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,0,0,0,0,1|0,0,1]=2 499 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,0,0,0,0,1|2,0,1]=4 500 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,0,0,0,0,1|1,0,1]=3 501 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,0,0,0,0,1|1,0,0]=2 502 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,0,0,0,0,1|2,0,1]=4 503 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,0,0,0,0,1|1,0,1]=3 504 B8R0.5 CCCC(N)NC(=N)N CNP0547045.0 [0,0,0,0,0,1|3,0,0]=4 505 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,0,0,0,0,1|1,0,0]=2 506 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,0,0,0,0,1|0,0,0]=1 507 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,0,0,0,0,1|1,0,0]=2 508 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,0,0,0,0,1|1,0,0]=2 509 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,0,0,0,0,1|2,0,1]=4 510 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,0,0,0,0,1|2,0,0]=3 511 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [0,0,0,0,0,1|3,0,0]=4 512 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,0,0,0,0,1|2,0,0]=3 513 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|0,0,2]=4 514 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|0,0,1]=3 515 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|1,0,1]=4 516 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,0]=3 517 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,2]=4 518 B5R0.1 C=CCC(C)O CNP0594112.0 [2,0,0,0,0,0|0,0,2]=4 519 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,1]=4 520 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|1,0,1]=4 521 B5R0.1 CC(C)CCN CNP0107663.0 [2,0,0,0,0,0|1,0,1]=4 522 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|1,0,1]=4 523 B5R0.1 CC(C)CCS CNP0222694.0 [2,0,0,0,0,0|1,0,1]=4 524 B5R0.1 CC(O)CCS CNP0002409.0 [2,0,0,0,0,0|1,0,0]=3 525 B5R0.1 CC(S)CCS CNP0003105.0 [2,0,0,0,0,0|1,1,0]=4 526 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,2]=4 527 B5R0.1 CC=CC(C)O CNP0150168.0 [2,0,0,0,0,0|0,0,2]=4 528 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|0,0,2]=4 529 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|0,0,1]=3 530 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 531 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,0]=2 532 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,1]=3 533 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|0,0,1]=3 534 B5R0.1 CCCC(C)S CNP0029638.0 [2,0,0,0,0,0|0,1,0]=3 535 B5R0.1 CCCC(O)O CNP0076336.0 [2,0,0,0,0,0|1,0,0]=3 536 B5R0.1 CCCS(=S)O CNP0558357.0 [2,0,0,0,0,0|1,1,0]=4 537 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|0,0,0]=2 538 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|0,0,0]=2 539 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|1,0,1]=4 540 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|1,0,1]=4 541 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|2,0,0]=4 542 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 543 B5R0.1 CCOC(C)C CNP0604172.0 [2,0,0,0,0,0|1,0,1]=4 544 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|1,0,1]=4 545 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|1,0,1]=4 546 B5R0.1 CCSC(C)C CNP0254931.0 [2,0,0,0,0,0|1,0,1]=4 547 B5R0.1 CCSC(C)S CNP0579398.0 [2,0,0,0,0,0|1,1,0]=4 548 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,0]=3 549 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,0]=3 550 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|1,0,1]=4 551 B5R0.1 CNCC(C)C CNP0273998.0 [2,0,0,0,0,0|1,0,1]=4 552 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|1,0,1]=4 553 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,0]=3 554 B5R0.1 COCC(C)C CNP0528468.0 [2,0,0,0,0,0|1,0,1]=4 555 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|1,0,1]=4 556 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,0]=3 557 B5R0.1 CSCC(C)C CNP0405087.0 [2,0,0,0,0,0|1,0,1]=4 558 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [2,0,0,0,0,0|1,0,1]=4 559 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|1,0,1]=4 560 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [2,0,0,0,0,0|1,0,0]=3 561 B5R0.1 C[C@H](O)CCO CNP0110972.1 [2,0,0,0,0,0|1,0,0]=3 562 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,0]=3 563 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,0]=3 564 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 565 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 566 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 567 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 568 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 569 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 570 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|1,0,0]=3 571 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|1,0,0]=3 572 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|2,0,0]=4 573 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|1,0,1]=4 574 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|1,0,1]=4 575 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|0,0,2]=4 576 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|1,0,0]=3 577 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|2,0,0]=4 578 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|2,0,0]=4 579 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,2]=4 580 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|1,0,1]=4 581 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|0,0,2]=4 582 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|0,0,1]=3 583 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|1,0,1]=4 584 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 585 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,0,0]=2 586 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,1]=4 587 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|1,0,1]=4 588 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,1]=4 589 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,1]=4 590 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,0,1]=3 591 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|0,1,1]=4 592 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|2,0,0]=4 593 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|2,0,0]=4 594 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|2,0,0]=4 595 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|1,0,0]=3 596 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|1,0,0]=3 597 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|1,0,1]=4 598 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|1,0,1]=4 599 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|1,0,0]=3 600 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|1,0,1]=4 601 B5R0.2 N#CCCC=O CNP0181263.0 [2,0,0,0,0,0|1,0,1]=4 602 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|1,0,0]=3 603 B5R0.2 NCCCCO CNP0514594.0 [2,0,0,0,0,0|1,0,1]=4 604 B5R0.2 O=CCCC=O CNP0053830.0 [2,0,0,0,0,0|1,0,1]=4 605 B5R0.2 OCCCCBr CNP0083982.0 [2,0,0,0,0,0|1,0,1]=4 606 B5R0.2 OCCCCCl CNP0079807.0 [2,0,0,0,0,0|1,0,1]=4 607 B5R0.2 OCCCCO CNP0080008.0 [2,0,0,0,0,0|1,0,1]=4 608 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|2,0,0]=4 609 B5R0.3 C=C(C=O)CC CNP0542605.0 [2,0,0,0,0,0|0,0,2]=4 610 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [2,0,0,0,0,0|2,0,0]=4 611 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [2,0,0,0,0,0|2,0,0]=4 612 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [2,0,0,0,0,0|2,0,0]=4 613 B5R0.3 CC(CO)CO CNP0282467.0 [2,0,0,0,0,0|1,0,1]=4 614 B5R0.3 CC=C(C)C=O CNP0281160.0 [2,0,0,0,0,0|0,0,2]=4 615 B5R0.3 CC=C(C)CC CNP0247687.0 [2,0,0,0,0,0|1,0,1]=4 616 B5R0.3 CCC(=CS)C CNP0025997.0 [2,0,0,0,0,0|0,1,1]=4 617 B5R0.3 CCC(=O)C=O CNP0301331.0 [2,0,0,0,0,0|1,0,1]=4 618 B5R0.3 CCC(C)CC CNP0316485.0 [2,0,0,0,0,0|1,0,1]=4 619 B5R0.3 CCC(C)CS CNP0003009.0 [2,0,0,0,0,0|0,1,1]=4 620 B5R0.3 CCC(O)CO CNP0534149.0 [2,0,0,0,0,0|1,0,1]=4 621 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [2,0,0,0,0,0|0,0,0]=2 622 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [2,0,0,0,0,0|0,0,1]=3 623 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [2,0,0,0,0,0|1,0,1]=4 624 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [2,0,0,0,0,0|0,0,0]=2 625 B5R0.3 CC[C@H](C)CN CNP0233909.1 [2,0,0,0,0,0|1,0,1]=4 626 B5R0.3 CC[C@H](C)CO CNP0185673.2 [2,0,0,0,0,0|0,0,1]=3 627 B5R0.3 CC[C@H](C)NC CNP0236959.1 [2,0,0,0,0,0|2,0,0]=4 628 B5R0.3 CN(C=O)CO CNP0412364.0 [2,0,0,0,0,0|2,0,0]=4 629 B5R0.3 COC(C)CO CNP0485411.0 [2,0,0,0,0,0|1,0,1]=4 630 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [2,0,0,0,0,0|2,0,0]=4 631 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [2,0,0,0,0,0|0,0,2]=4 632 B5R0.5 C=C(O)C(C)C CNP0150035.0 [2,0,0,0,0,0|1,0,0]=3 633 B5R0.5 CC(=C(C)O)C CNP0164530.0 [2,0,0,0,0,0|1,0,1]=4 634 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [2,0,0,0,0,0|1,0,1]=4 635 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [2,0,0,0,0,0|1,0,1]=4 636 B5R0.5 CC(=O)C(C)C CNP0209504.0 [2,0,0,0,0,0|1,0,0]=3 637 B5R0.5 CC(=O)C(C)S CNP0409589.0 [2,0,0,0,0,0|2,0,0]=4 638 B5R0.5 CC(=O)N(C)C CNP0083052.0 [2,0,0,0,0,0|2,0,0]=4 639 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [2,0,0,0,0,0|2,0,0]=4 640 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [2,0,0,0,0,0|2,0,0]=4 641 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [2,0,0,0,0,0|1,0,0]=3 642 B5R0.5 CC(C)C(=O)N CNP0226996.0 [2,0,0,0,0,0|1,0,0]=3 643 B5R0.5 CC(C)C(=O)O CNP0197560.0 [2,0,0,0,0,0|0,0,0]=2 644 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [2,0,0,0,0,0|1,0,1]=4 645 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [2,0,0,0,0,0|1,0,1]=4 646 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [2,0,0,0,0,0|1,0,1]=4 647 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [2,0,0,0,0,0|1,0,1]=4 648 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [2,0,0,0,0,0|1,0,1]=4 649 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [2,0,0,0,0,0|1,0,1]=4 650 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [2,0,0,0,0,0|1,0,1]=4 651 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [2,0,0,0,0,0|1,0,1]=4 652 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [2,0,0,0,0,0|1,0,0]=3 653 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [2,0,0,0,0,0|1,0,0]=3 654 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [2,0,0,0,0,0|1,0,0]=3 655 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [2,0,0,0,0,0|1,0,0]=3 656 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [2,0,0,0,0,0|1,0,0]=3 657 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [2,0,0,0,0,0|2,0,0]=4 658 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [2,0,0,0,0,0|2,0,0]=4 659 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [2,0,0,0,0,0|2,0,0]=4 660 B5R0.5 O=C(O)C(I)I CNP0320084.0 [2,0,0,0,0,0|2,0,0]=4 661 B5R0.5 O=C(O)C(O)O CNP0603869.0 [2,0,0,0,0,0|2,0,0]=4 662 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [2,0,0,0,0,0|2,0,0]=4 663 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [2,0,0,0,0,0|2,0,0]=4 664 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [2,0,0,0,0,0|2,0,0]=4 665 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [2,0,0,0,0,0|2,0,0]=4 666 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [1,1,0,0,0,0|1,0,0]=3 667 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [1,1,0,0,0,0|0,0,2]=4 668 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [1,1,0,0,0,0|1,0,1]=4 669 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,1,0,0,0,0|1,0,0]=3 670 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,1,0,0,0,0|1,0,0]=3 671 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,1,0,0,0,0|1,0,0]=3 672 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,1,0,0,0,0|1,0,0]=3 673 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,1,0,0,0,0|1,0,0]=3 674 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,1,0,0,0,0|1,0,0]=3 675 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [1,1,0,0,0,0|1,0,1]=4 676 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,1,0,0,0,0|0,0,0]=2 677 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [1,1,0,0,0,0|1,0,1]=4 678 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,1,0,0,0,0|1,0,1]=4 679 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [1,1,0,0,0,0|1,0,0]=3 680 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [1,1,0,0,0,0|1,0,0]=3 681 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,1,0,0,0,0|0,0,2]=4 682 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,1,0,0,0,0|1,0,1]=4 683 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,1,0,0,0,0|1,0,0]=3 684 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,1,0,0,0,0|1,0,1]=4 687 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|0,0,1]=3 688 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,1,0,0,0,0|1,0,1]=4 689 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,1,0,0,0,0|0,0,0]=2 690 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|1,0,1]=4 691 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|1,0,1]=4 692 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|0,0,1]=3 693 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,1,0,0,0,0|1,0,0]=3 694 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [1,1,0,0,0,0|2,0,0]=4 695 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [1,1,0,0,0,0|2,0,0]=4 696 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [1,1,0,0,0,0|1,0,1]=4 697 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [1,1,0,0,0,0|1,0,1]=4 698 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [1,1,0,0,0,0|1,0,1]=4 699 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [1,1,0,0,0,0|1,0,1]=4 700 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,1,0,0,0,0|1,0,0]=3 701 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,1,0,0,0,0|2,0,0]=4 702 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,1,0,0,0,0|1,0,1]=4 703 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,1,0,0,0,0|0,0,0]=2 704 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,1,0,0,0,0|1,0,1]=4 705 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,1,0,0,0,0|0,0,1]=3 706 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,1,0,0,0,0|1,0,1]=4 707 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,1,0,0,0,0|1,0,1]=4 708 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,1,0,0,0,0|0,0,1]=3 709 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,1,0,0,0,0|1,0,1]=4 710 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,1,0,0,0,0|1,0,1]=4 711 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [1,1,0,0,0,0|1,0,0]=3 712 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [1,1,0,0,0,0|0,0,0]=2 713 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [1,1,0,0,0,0|0,0,1]=3 714 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [1,1,0,0,0,0|1,0,1]=4 715 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [1,1,0,0,0,0|1,0,1]=4 716 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [1,1,0,0,0,0|1,0,1]=4 717 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [1,1,0,0,0,0|1,0,1]=4 718 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [1,1,0,0,0,0|2,0,0]=4 719 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [1,1,0,0,0,0|2,0,0]=4 720 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [1,1,0,0,0,0|1,0,1]=4 721 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [1,1,0,0,0,0|1,0,1]=4 722 B7R0.11 CSSC(C)(C)C=O CNP0002675.0 [1,1,0,0,0,0|2,0,0]=4 723 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [1,1,0,0,0,0|1,0,1]=4 724 B7R0.12 CCCC(CC)CC CNP0154770.0 [1,1,0,0,0,0|1,0,1]=4 725 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [1,1,0,0,0,0|1,0,1]=4 726 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [1,1,0,0,0,0|1,0,0]=3 727 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [1,1,0,0,0,0|1,0,0]=3 728 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [1,1,0,0,0,0|0,0,0]=2 729 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [1,1,0,0,0,0|0,0,0]=2 730 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [1,1,0,0,0,0|1,0,0]=3 731 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [1,1,0,0,0,0|0,0,0]=2 732 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [1,1,0,0,0,0|0,0,0]=2 733 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [1,1,0,0,0,0|0,0,0]=2 734 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [1,1,0,0,0,0|1,0,0]=3 735 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [1,1,0,0,0,0|1,0,0]=3 736 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [1,1,0,0,0,0|1,0,0]=3 737 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [1,1,0,0,0,0|0,0,2]=4 738 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [1,1,0,0,0,0|0,0,2]=4 739 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [1,1,0,0,0,0|1,0,0]=3 740 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [1,1,0,0,0,0|1,0,0]=3 741 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [1,1,0,0,0,0|1,0,0]=3 742 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [1,1,0,0,0,0|0,0,0]=2 743 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [1,1,0,0,0,0|0,0,0]=2 744 B7R0.15 CCC(CO)[N+](=O)[O-] CNP0572380.0 [1,1,0,0,0,0|1,0,1]=4 745 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [1,1,0,0,0,0|0,0,0]=2 746 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [1,1,0,0,0,0|1,0,0]=3 747 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [1,1,0,0,0,0|1,0,0]=3 748 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [1,1,0,0,0,0|1,0,0]=3 749 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [1,1,0,0,0,0|1,0,0]=3 750 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [1,1,0,0,0,0|1,0,0]=3 751 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [1,1,0,0,0,0|1,0,0]=3 752 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [1,1,0,0,0,0|1,0,0]=3 753 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [1,1,0,0,0,0|0,0,2]=4 754 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [1,1,0,0,0,0|0,0,2]=4 755 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [1,1,0,0,0,0|0,0,2]=4 756 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [1,1,0,0,0,0|1,0,1]=4 757 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [1,1,0,0,0,0|0,0,1]=3 758 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [1,1,0,0,0,0|2,0,0]=4 759 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [1,1,0,0,0,0|2,0,0]=4 760 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [1,1,0,0,0,0|2,0,0]=4 761 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [1,1,0,0,0,0|2,0,0]=4 762 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [1,1,0,0,0,0|1,0,1]=4 763 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [1,1,0,0,0,0|1,0,1]=4 764 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [1,1,0,0,0,0|1,0,1]=4 765 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [1,1,0,0,0,0|1,0,0]=3 766 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [1,1,0,0,0,0|2,0,0]=4 767 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [1,1,0,0,0,0|1,0,0]=3 768 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [1,1,0,0,0,0|1,0,0]=3 769 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [1,1,0,0,0,0|1,0,0]=3 770 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [1,1,0,0,0,0|2,0,0]=4 771 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [1,1,0,0,0,0|1,0,0]=3 772 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [1,1,0,0,0,0|1,0,0]=3 773 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [1,1,0,0,0,0|1,0,1]=4 774 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [1,1,0,0,0,0|1,0,0]=3 775 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [1,1,0,0,0,0|1,0,0]=3 776 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [1,1,0,0,0,0|1,0,0]=3 777 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [1,1,0,0,0,0|1,0,1]=4 778 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [1,1,0,0,0,0|1,0,0]=3 779 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [1,1,0,0,0,0|0,0,0]=2 780 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [1,1,0,0,0,0|1,0,0]=3 781 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [1,1,0,0,0,0|1,0,0]=3 782 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [1,1,0,0,0,0|1,0,0]=3 783 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [1,1,0,0,0,0|1,0,0]=3 784 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [1,1,0,0,0,0|1,0,0]=3 785 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [1,1,0,0,0,0|1,0,0]=3 786 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [1,1,0,0,0,0|1,0,0]=3 787 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [1,1,0,0,0,0|1,0,0]=3 788 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [1,1,0,0,0,0|0,0,0]=2 789 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [1,1,0,0,0,0|1,0,0]=3 790 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [1,1,0,0,0,0|1,0,0]=3 791 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [1,1,0,0,0,0|0,0,0]=2 792 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [1,1,0,0,0,0|1,0,0]=3 793 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [1,1,0,0,0,0|0,0,0]=2 794 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [1,1,0,0,0,0|2,0,0]=4 795 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [1,1,0,0,0,0|1,0,0]=3 796 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [1,1,0,0,0,0|1,0,0]=3 797 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [1,1,0,0,0,0|1,0,0]=3 798 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [1,1,0,0,0,0|1,0,0]=3 799 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,1,0,0,0,0|1,0,0]=3 800 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,1,0,0,0,0|0,0,1]=3 801 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,1,0,0,0,0|0,0,2]=4 802 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,1,0,0,0,0|1,0,1]=4 803 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,1,0,0,0,0|2,0,0]=4 804 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,1,0,0,0,0|1,0,1]=4 805 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,1,0,0,0,0|0,0,1]=3 806 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,1,0,0,0,0|1,0,1]=4 807 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,1,0,0,0,0|0,0,1]=3 808 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,1,0,0,0,0|1,0,1]=4 809 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,1,0,0,0,0|0,0,1]=3 810 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|1,0,0]=3 811 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,1,0,0,0,0|1,0,0]=3 812 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|0,0,0]=2 813 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,1,0,0,0,0|0,1,0]=3 814 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|0,0,0]=2 815 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,1,0,0,0,0|1,0,1]=4 816 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,1,0,0,0,0|1,0,1]=4 817 B7R0.4 CCCCNC(=S)N CNP0137764.0 [1,1,0,0,0,0|1,1,0]=4 818 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|1,0,0]=3 819 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,1,0,0,0,0|2,0,0]=4 820 B7R0.4 CCNCNC(=O)N CNP0182596.0 [1,1,0,0,0,0|2,0,0]=4 821 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,1,0,0,0,0|1,0,0]=3 822 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|0,0,0]=2 823 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,1,0,0,0,0|0,0,0]=2 824 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,1,0,0,0,0|1,0,0]=3 825 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,1,0,0,0,0|2,0,0]=4 826 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [1,1,0,0,0,0|1,0,1]=4 827 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,1,0,0,0,0|0,0,1]=3 828 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,1,0,0,0,0|2,0,0]=4 829 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,1,0,0,0,0|1,0,0]=3 830 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,1,0,0,0,0|0,0,0]=2 831 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,1,0,0,0,0|1,0,0]=3 832 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,1,0,0,0,0|0,0,0]=2 833 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,1,0,0,0,0|1,0,0]=3 834 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,1,0,0,0,0|0,0,1]=3 835 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,1,0,0,0,0|1,0,1]=4 836 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,1,0,0,0,0|0,0,2]=4 837 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,1,0,0,0,0|1,0,1]=4 838 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,1,0,0,0,0|0,0,1]=3 839 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [1,1,0,0,0,0|0,0,2]=4 840 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [1,1,0,0,0,0|0,0,2]=4 841 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,1,0,0,0,0|1,0,0]=3 842 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,1,0,0,0,0|2,0,0]=4 843 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,1,0,0,0,0|1,0,1]=4 844 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,1,0,0,0,0|2,0,0]=4 845 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,1,0,0,0,0|2,0,0]=4 846 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,1,0,0,0,0|0,0,2]=4 847 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,1,0,0,0,0|1,0,0]=3 848 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,1,0,0,0,0|1,0,0]=3 849 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,1,0,0,0,0|0,0,0]=2 850 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,1,0,0,0,0|1,0,0]=3 851 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,1,0,0,0,0|0,0,0]=2 852 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,1,0,0,0,0|1,0,1]=4 853 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,1,0,0,0,0|1,0,0]=3 854 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,1,0,0,0,0|1,0,0]=3 855 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,1,0,0,0,0|1,0,1]=4 856 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,1,0,0,0,0|1,0,1]=4 857 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,1,0,0,0,0|1,0,0]=3 858 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,1,0,0,0,0|1,0,0]=3 859 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [1,1,0,0,0,0|1,0,1]=4 860 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [1,1,0,0,0,0|1,0,1]=4 861 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [1,1,0,0,0,0|2,0,0]=4 862 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [1,1,0,0,0,0|1,0,0]=3 863 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [1,1,0,0,0,0|1,0,0]=3 864 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [1,1,0,0,0,0|2,0,0]=4 865 B7R0.8 CCCSS(=O)(=O)O CNP0002442.0 [1,1,0,0,0,0|2,0,0]=4 866 B7R0.8 CNCCP(=O)(O)O CNP0289826.0 [1,1,0,0,0,0|2,0,0]=4 867 B7R0.8 CNCCS(=O)(=O)O CNP0173861.0 [1,1,0,0,0,0|2,0,0]=4 868 B7R0.8 CSCCS(=O)(=O)O CNP0358914.0 [1,1,0,0,0,0|2,0,0]=4 869 B7R0.8 NCCCS(=O)(=O)O CNP0214317.0 [1,1,0,0,0,0|2,0,0]=4 870 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,1,0,0,0,1|1,0,1]=4 871 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,1,0,0,0,1|0,0,1]=3 872 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,1,0,0,0,1|1,0,0]=3 873 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,1,0,0,0,1|1,0,0]=3 874 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,1,0,0,0,1|1,0,0]=3 875 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,1,0,0,0,1|1,0,1]=4 876 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [0,1,0,0,0,1|1,0,0]=3 877 B9R0.4 NCCC[C@@H](N)CC(=O)N CNP0496401.1 [0,1,0,0,0,1|2,0,0]=4 878 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [0,1,0,0,0,1|1,0,0]=3 879 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [0,1,0,0,0,1|1,0,0]=3 880 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [0,1,0,0,0,1|0,0,2]=4 881 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,1,0,0,0,1|0,0,0]=2 882 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,1,0,0,0,1|0,0,0]=2 883 B9R0.6 NCC[C@@H](O)[C@@H](N)C(=O)O CNP0172709.2 [0,1,0,0,0,1|2,0,0]=4 884 B9R0.6 NCC[C@H](O)[C@@H](N)C(=O)O CNP0172709.1 [0,1,0,0,0,1|2,0,0]=4 885 B9R0.14 C#C[C@H](CCC)OC(=O)C CNP0409199.1 [0,1,0,0,0,1|1,0,1]=4 886 B9R0.14 C=C[C@@H](CCC)OC(=O)C CNP0360654.1 [0,1,0,0,0,1|1,0,1]=4 887 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [0,1,0,0,0,1|1,0,0]=3 888 B9R0.14 COC(=CC(=O)O)CCO CNP0423420.0 [0,1,0,0,0,1|1,0,1]=4 889 B9R0.23 CCC(=O)[C@H](C)NC(=O)C CNP0481788.1 [0,1,0,0,0,1|1,0,1]=4 890 B9R0.23 CC[C@@H](O)[C@H](C)NC(=O)C CNP0535111.2 [0,1,0,0,0,1|1,0,0]=3 891 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,1,0,0,0,1|1,0,0]=3 892 B9R0.23 CC[C@H](O)[C@H](C)NC(=O)C CNP0535111.1 [0,1,0,0,0,1|1,0,0]=3 893 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [0,1,0,0,0,1|1,0,1]=4 894 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO CNP0393490.1 [0,1,0,0,0,1|2,0,0]=4 895 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,1,0,0,0,1|1,0,0]=3 896 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,1,0,0,0,1|1,0,0]=3 897 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,1,0,0,0,1|1,0,0]=3 898 B9R0.34 COC(=O)C=C(C)CCO CNP0161567.0 [0,1,0,0,0,1|1,0,1]=4 899 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,1,0,0,0,1|1,0,0]=3 900 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,1,0,0,0,1|1,0,1]=4 901 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,1,0,0,0,1|1,0,1]=4 902 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,1,0,0,0,1|1,0,0]=3 903 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,1,0,0,0,1|1,0,0]=3 904 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,1,0,0,0,1|1,0,0]=3 905 B9R0.53 CC(CC(=O)O)CC(=O)O CNP0316583.0 [0,1,0,0,0,1|1,0,1]=4 906 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,1,0,0,0,1|1,0,1]=4 907 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,1,0,0,0,1|1,0,0]=3 908 B9R0.58 C[C@@](O)(CCO)CC(=O)O CNP0328110.1 [0,1,0,0,0,1|1,0,0]=3 909 B9R0.58 C[C@](O)(CCO)CC(=O)O CNP0328110.2 [0,1,0,0,0,1|1,0,0]=3 910 B9R0.25 CC[C@@H](C)[C@@H](N)P(=O)(O)O CNP0066910.1 [0,2,0,0,0,0|2,0,0]=4 911 B9R0.25 CC[C@H](N)[C@H](O)P(=O)(O)O CNP0355399.1 [0,2,0,0,0,0|2,0,0]=4 912 B9R0.27 CCC(=O)[C@@H](C)[C@@H](O)CC CNP0412913.2 [0,2,0,0,0,0|1,0,0]=3 913 B9R0.27 CCC(=O)[C@H](C)[C@H](O)CC CNP0412913.1 [0,2,0,0,0,0|1,0,0]=3 914 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,2,0,0,0,0|1,0,1]=4 915 B9R0.27 CC[C@@H](O)[C@@H](C)C(=O)OC CNP0229138.1 [0,2,0,0,0,0|0,0,0]=2 916 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [0,2,0,0,0,0|1,0,0]=3 917 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [0,2,0,0,0,0|1,0,0]=3 918 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO CNP0266174.1 [0,2,0,0,0,0|2,0,0]=4 919 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO CNP0266174.4 [0,2,0,0,0,0|2,0,0]=4 920 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO CNP0266174.2 [0,2,0,0,0,0|2,0,0]=4 921 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO CNP0266174.3 [0,2,0,0,0,0|2,0,0]=4 922 B9R0.28 CCN(C)C(C)(C)C(=O)O CNP0593233.0 [0,2,0,0,0,0|1,0,0]=3 923 B9R0.28 C[C@@](O)(C(=O)O)[C@H](O)CO CNP0198726.1 [0,2,0,0,0,0|1,0,0]=3 924 B9R0.28 C[C@](O)(C(=O)O)[C@@H](O)CO CNP0198726.3 [0,2,0,0,0,0|1,0,0]=3 925 B9R0.28 C[C@](O)(C(=O)O)[C@H](O)CO CNP0198726.2 [0,2,0,0,0,0|1,0,0]=3 926 B9R0.29 CCC(=O)C(CC)C(=O)O CNP0333433.0 [0,2,0,0,0,0|0,0,1]=3 927 B9R0.29 CCC(C)C(CC)C(=O)N CNP0490151.0 [0,2,0,0,0,0|1,0,0]=3 928 B9R0.29 CC[C@@H](C)[C@@H](NC)C(=O)O CNP0218334.2 [0,2,0,0,0,0|0,0,0]=2 929 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O CNP0218334.4 [0,2,0,0,0,0|0,0,0]=2 930 B9R0.29 CC[C@@H](O)[C@H](NC)C(=O)O CNP0169081.1 [0,2,0,0,0,0|0,0,0]=2 931 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O CNP0218334.1 [0,2,0,0,0,0|0,0,0]=2 932 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CNP0218334.3 [0,2,0,0,0,0|0,0,0]=2 933 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O CNP0159031.1 [0,2,0,0,0,0|2,0,0]=4 934 B9R0.32 CC(C)(CO)[C@H](N)C(=O)O CNP0161879.1 [0,2,0,0,0,0|2,0,0]=4 935 B9R0.32 CC(C)(CO)[C@H](O)C(=O)O CNP0159031.2 [0,2,0,0,0,0|2,0,0]=4 936 B9R0.32 CCC(C)(C)C(=O)C(=O)O CNP0359042.0 [0,2,0,0,0,0|1,0,1]=4 937 B9R0.32 CCC(C)(O)C(=O)C(=O)O CNP0044065.0 [0,2,0,0,0,0|1,0,1]=4 938 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(=O)O CNP0207481.1 [0,2,0,0,0,0|1,0,0]=3 939 B9R0.32 CC[C@](C)(O)[C@@H](O)C(=O)O CNP0207481.2 [0,2,0,0,0,0|1,0,0]=3 940 B9R0.32 COC(C)(C)[C@H](N)C(=O)O CNP0302352.1 [0,2,0,0,0,0|2,0,0]=4 941 B9R0.41 CCC(CC)[C@@H](N)C(=O)O CNP0494081.2 [0,2,0,0,0,0|1,0,0]=3 942 B9R0.41 CCC(CC)[C@H](N)C(=O)O CNP0494081.1 [0,2,0,0,0,0|1,0,0]=3 943 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [0,2,0,0,0,0|1,0,1]=4 944 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,2,0,0,0,0|1,0,1]=4 945 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [0,2,0,0,0,0|1,0,1]=4 946 B9R0.79 CC(C(=O)O)C(O)C(=O)O CNP0389403.0 [0,2,0,0,0,0|1,0,1]=4 947 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,2,0,0,0,0|0,0,0]=2 948 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,2,0,0,0,0|1,0,0]=3 949 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,2,0,0,0,0|1,0,0]=3 950 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CNP0207254.1 [0,2,0,0,0,0|1,0,0]=3 951 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.3 [0,2,0,0,0,0|1,0,1]=4 952 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O CNP0145272.1 [0,2,0,0,0,0|1,0,0]=3 953 B9R0.79 C[C@@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.6 [0,2,0,0,0,0|1,0,0]=3 954 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](N)C(=O)O CNP0207254.7 [0,2,0,0,0,0|1,0,0]=3 955 B9R0.79 C[C@@H]([C@H](C)O)[C@H](N)C(=O)O CNP0207254.3 [0,2,0,0,0,0|1,0,0]=3 956 B9R0.79 C[C@@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.4 [0,2,0,0,0,0|1,0,0]=3 957 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O CNP0165783.1 [0,2,0,0,0,0|1,0,1]=4 958 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.2 [0,2,0,0,0,0|1,0,1]=4 959 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.5 [0,2,0,0,0,0|1,0,0]=3 960 B9R0.79 C[C@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.2 [0,2,0,0,0,0|1,0,0]=3 961 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,2,0,0,0,0|1,0,1]=4 962 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,2,0,0,0,0|2,0,0]=4 963 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,2,0,0,0,0|1,0,0]=3 964 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,2,0,0,0,0|2,0,0]=4 965 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,2,0,0,0,0|1,0,0]=3 966 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,2,0,0,0,0|1,0,0]=3 967 B9R0.12 CN[C@@H](COC)C(=O)OC CNP0562303.1 [0,2,0,0,0,0|1,0,0]=3 968 B9R0.12 CN[C@H](COC)C(=O)OC CNP0562303.2 [0,2,0,0,0,0|1,0,0]=3 969 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [0,2,0,0,0,0|0,0,2]=4 970 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [0,2,0,0,0,0|0,0,2]=4 971 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,2,0,0,0,0|0,0,2]=4 972 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,2,0,0,0,0|2,0,0]=4 973 B9R0.35 CCC[C@@H](O)[C@@H](C)CCC CNP0244344.1 [0,2,0,0,0,0|1,0,1]=4 974 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,2,0,0,0,0|0,0,0]=2 975 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [0,2,0,0,0,0|2,0,0]=4 976 B9R0.60 COC[C@@](C)(N)C(=O)OC CNP0570502.2 [0,2,0,0,0,0|1,0,0]=3 977 B9R0.60 COC[C@](C)(N)C(=O)OC CNP0570502.1 [0,2,0,0,0,0|1,0,0]=3 978 B9R0.3 CCCC[C@H](N)P(=O)(O)O CNP0507860.1 [0,2,0,0,0,0|2,0,0]=4 979 B9R0.3 CSCC[C@H](N)P(=O)(O)O CNP0564591.1 [0,2,0,0,0,0|2,0,0]=4 980 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,2,0,0,0,0|1,0,1]=4 981 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,2,0,0,0,0|1,0,0]=3 982 B9R0.7 C=C(Cl)CC[C@@H](N)C(=O)O CNP0253011.1 [0,2,0,0,0,0|1,0,1]=4 983 B9R0.7 C=C(Cl)CC[C@H](N)C(=O)O CNP0253011.2 [0,2,0,0,0,0|1,0,1]=4 984 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,2,0,0,0,0|1,0,1]=4 985 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,2,0,0,0,0|0,0,0]=2 986 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,2,0,0,0,0|1,0,0]=3 987 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,2,0,0,0,0|1,0,1]=4 988 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,2,0,0,0,0|0,0,1]=3 989 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,2,0,0,0,0|1,0,1]=4 990 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,2,0,0,0,0|1,0,1]=4 991 B9R0.7 CC(=O)[C@@H](C)CCC(=O)O CNP0449435.1 [0,2,0,0,0,0|1,0,1]=4 992 B9R0.7 CC(=O)[C@H](C)CCC(=O)O CNP0449435.2 [0,2,0,0,0,0|1,0,1]=4 993 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,2,0,0,0,0|1,0,0]=3 994 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,2,0,0,0,0|1,0,0]=3 995 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,2,0,0,0,0|0,0,1]=3 996 B9R0.7 CC(CNC(=O)N)C(=O)O CNP0374758.0 [0,2,0,0,0,0|1,0,1]=4 997 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,2,0,0,0,0|1,0,0]=3 998 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,2,0,0,0,0|1,0,0]=3 999 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,2,0,0,0,0|1,0,0]=3 1000 B9R0.7 C[As](C)SC[C@H](N)C(=O)O CNP0580448.1 [0,2,0,0,0,0|2,0,0]=4 1001 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CNP0313110.1 [0,2,0,0,0,0|1,0,1]=4 1002 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,2,0,0,0,0|1,0,0]=3 1003 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)[O-] CNP0389259.3 [0,2,0,0,0,0|1,0,1]=4 1004 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,2,0,0,0,0|1,0,0]=3 1005 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,2,0,0,0,0|1,0,0]=3 1006 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.1 [0,2,0,0,0,0|1,0,1]=4 1007 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.2 [0,2,0,0,0,0|1,0,1]=4 1008 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [0,2,0,0,0,0|1,0,0]=3 1009 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [0,2,0,0,0,0|1,0,0]=3 1010 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [0,2,0,0,0,0|1,0,0]=3 1011 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [0,2,0,0,0,0|1,0,0]=3 1012 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [0,2,0,0,0,0|1,0,0]=3 1013 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [0,2,0,0,0,0|1,0,0]=3 1014 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [0,2,0,0,0,0|1,0,0]=3 1015 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,2,0,0,0,0|1,0,0]=3 1016 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,2,0,0,0,0|1,0,0]=3 1017 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,2,0,0,0,0|1,0,0]=3 1018 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,2,0,0,0,0|1,0,0]=3 1019 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,2,0,0,0,0|1,0,0]=3 1020 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CNP0361973.2 [0,2,0,0,0,0|1,0,1]=4 1021 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CNP0361973.1 [0,2,0,0,0,0|1,0,1]=4 1022 B9R0.7 NC(CCS(=O)O)C(=O)O CNP0027333.0 [0,2,0,0,0,0|2,0,0]=4 1023 B9R0.7 NC(CC[P+](=O)O)C(=O)O CNP0250837.0 [0,2,0,0,0,0|2,0,0]=4 1024 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CNP0191057.1 [0,2,0,0,0,0|1,0,1]=4 1025 B9R0.7 N[C@@H](CCP(=O)O)C(=O)O CNP0424644.2 [0,2,0,0,0,0|2,0,0]=4 1026 B9R0.7 N[C@@H](CC[P@@H](=O)O)C(=O)O CNP0424644.1 [0,2,0,0,0,0|2,0,0]=4 1027 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CNP0191057.2 [0,2,0,0,0,0|1,0,1]=4 1028 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O CNP0156996.1 [0,2,0,0,0,0|1,0,1]=4 1029 B9R0.7 O=C(O)CC[C@H](O)C(=O)O CNP0156996.2 [0,2,0,0,0,0|1,0,1]=4 1030 B9R0.13 C/C=C/N[C@H](CS)C(=O)O CNP0077164.1 [0,2,0,0,0,0|0,0,2]=4 1031 B9R0.13 C=C(C)C(CC)CCCC CNP0505996.0 [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.13 C=CCNC(CS)C(=O)O CNP0076452.0 [0,2,0,0,0,0|0,0,2]=4 1033 B9R0.13 CCCCC(=NO)C(=O)O CNP0294790.0 [0,2,0,0,0,0|1,0,1]=4 1034 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [0,2,0,0,0,0|1,0,0]=3 1035 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [0,2,0,0,0,0|1,0,0]=3 1036 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,2,0,0,0,0|0,0,0]=2 1037 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,2,0,0,0,0|0,0,0]=2 1038 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,2,0,0,0,0|0,0,0]=2 1039 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,2,0,0,0,0|0,0,0]=2 1040 B9R0.13 CN[C@@H](CCCN)C(=O)O CNP0395461.1 [0,2,0,0,0,0|0,0,0]=2 1041 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 1042 B9R0.42 C#C[C@H](C)C[C@H](N)C(=O)O CNP0212234.1 [0,2,0,0,0,0|1,0,0]=3 1043 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,2,0,0,0,0|1,0,1]=4 1044 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,2,0,0,0,0|1,0,1]=4 1045 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,2,0,0,0,0|1,0,0]=3 1046 B9R0.42 C=C[C@@H](C)C[C@H](N)C(=O)O CNP0160242.1 [0,2,0,0,0,0|1,0,0]=3 1047 B9R0.42 C=C[C@H](C)C[C@H](N)C(=O)O CNP0160242.2 [0,2,0,0,0,0|1,0,0]=3 1048 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,2,0,0,0,0|1,0,0]=3 1049 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [0,2,0,0,0,0|0,0,1]=3 1050 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,2,0,0,0,0|1,0,0]=3 1051 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,2,0,0,0,0|1,0,0]=3 1052 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,2,0,0,0,0|1,0,0]=3 1053 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,2,0,0,0,0|1,0,1]=4 1054 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,2,0,0,0,0|1,0,1]=4 1055 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,2,0,0,0,0|1,0,0]=3 1056 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [0,2,0,0,0,0|1,0,0]=3 1057 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [0,2,0,0,0,0|1,0,0]=3 1058 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [0,2,0,0,0,0|1,0,0]=3 1059 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [0,2,0,0,0,0|1,0,1]=4 1060 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,2,0,0,0,0|1,0,1]=4 1061 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,2,0,0,0,0|1,0,1]=4 1062 B9R0.42 C[C@@H](NC(=O)CN)C(=O)O CNP0299268.2 [0,2,0,0,0,0|1,0,1]=4 1063 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,2,0,0,0,0|1,0,0]=3 1064 B9R0.42 C[C@H](NC(=O)CN)C(=O)O CNP0299268.1 [0,2,0,0,0,0|1,0,1]=4 1065 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,2,0,0,0,0|1,0,0]=3 1066 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,2,0,0,0,0|1,0,1]=4 1067 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,2,0,0,0,0|1,0,0]=3 1068 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,2,0,0,0,0|1,0,1]=4 1069 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 1070 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,2,0,0,0,0|1,0,0]=3 1071 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,2,0,0,0,0|1,0,0]=3 1072 B9R0.47 C/C=C/SC[C@H](N)C(=O)O CNP0158331.1 [0,2,0,0,0,0|1,0,1]=4 1073 B9R0.47 C/C=C\SC[C@H](N)C(=O)O CNP0158331.2 [0,2,0,0,0,0|1,0,1]=4 1074 B9R0.47 C=CCSC[C@@H](N)C(=O)O CNP0206886.1 [0,2,0,0,0,0|1,0,1]=4 1075 B9R0.47 C=CCSC[C@H](N)C(=O)O CNP0206886.2 [0,2,0,0,0,0|1,0,1]=4 1076 B9R0.47 CC(CSCCN)C(=O)O CNP0002353.0 [0,2,0,0,0,0|0,0,0]=2 1077 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,2,0,0,0,0|1,0,1]=4 1078 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,2,0,0,0,0|0,0,0]=2 1079 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,2,0,0,0,0|1,0,0]=3 1080 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,2,0,0,0,0|2,0,0]=4 1081 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,2,0,0,0,0|1,0,0]=3 1082 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,2,0,0,0,0|1,0,0]=3 1083 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,2,0,0,0,0|1,0,0]=3 1084 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,2,0,0,0,0|1,0,0]=3 1085 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [0,2,0,0,0,0|1,0,0]=3 1086 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [0,2,0,0,0,0|1,0,0]=3 1087 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [0,2,0,0,0,0|1,0,0]=3 1088 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [0,2,0,0,0,0|1,0,0]=3 1089 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [0,2,0,0,0,0|1,0,0]=3 1090 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,2,0,0,0,0|1,0,0]=3 1091 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,2,0,0,0,0|1,0,1]=4 1092 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,2,0,0,0,0|1,0,0]=3 1093 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,2,0,0,0,0|1,0,0]=3 1094 B9R0.47 CSCSC[C@H](N)C(=O)O CNP0280822.1 [0,2,0,0,0,0|1,0,0]=3 1095 B9R0.47 NC/C=C/C[C@H](N)C(=O)O CNP0332600.1 [0,2,0,0,0,0|1,0,1]=4 1096 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,2,0,0,0,0|1,0,1]=4 1097 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,2,0,0,0,0|1,0,0]=3 1098 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [0,2,0,0,0,0|2,0,0]=4 1099 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,2,0,0,0,0|1,0,0]=3 1100 B9R0.47 NCCOC[C@@H](N)C(=O)O CNP0214099.2 [0,2,0,0,0,0|1,0,0]=3 1101 B9R0.47 NCCOC[C@H](N)C(=O)O CNP0214099.1 [0,2,0,0,0,0|1,0,0]=3 1102 B9R0.47 NCCSC[C@H](N)C(=O)O CNP0297414.1 [0,2,0,0,0,0|1,0,0]=3 1103 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,2,0,0,0,0|1,0,0]=3 1104 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [0,2,0,0,0,0|1,0,0]=3 1105 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,2,0,0,0,0|1,0,0]=3 1106 B9R0.47 N[C@@H](CCCNO)C(=O)O CNP0203401.1 [0,2,0,0,0,0|1,0,0]=3 1107 B9R0.47 N[C@@H](CCSCO)C(=O)O CNP0246797.1 [0,2,0,0,0,0|1,0,0]=3 1108 B9R0.47 N[C@@H](CSCCO)C(=O)O CNP0350927.1 [0,2,0,0,0,0|1,0,0]=3 1109 B9R0.47 N[C@H](CC#CCO)C(=O)O CNP0253353.1 [0,2,0,0,0,0|1,0,1]=4 1110 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,2,0,0,0,0|1,0,0]=3 1111 B9R0.47 N[C@H](CCCNO)C(=O)O CNP0203401.2 [0,2,0,0,0,0|1,0,0]=3 1112 B9R0.51 CCCCC(Br)(Br)C(=O)C CNP0017708.0 [0,2,0,0,0,0|2,0,0]=4 1113 B9R0.11 CC(=O)NC(C)(C)C(=O)O CNP0548833.0 [0,2,0,0,0,0|1,0,1]=4 1114 B9R0.11 CC(=O)OC(C)(C)C(=O)O CNP0299656.0 [0,2,0,0,0,0|1,0,1]=4 1115 B9R0.11 CC(C)(CC(=O)O)C(=O)O CNP0354982.0 [0,2,0,0,0,0|1,0,1]=4 1116 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CNP0508050.1 [0,2,0,0,0,0|0,0,0]=2 1117 B9R0.11 C[C@@](O)(CC(=O)O)C(=O)O CNP0272259.2 [0,2,0,0,0,0|1,0,1]=4 1118 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CNP0128541.1 [0,2,0,0,0,0|1,0,1]=4 1119 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O CNP0272259.1 [0,2,0,0,0,0|1,0,1]=4 1120 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O CNP0326502.2 [0,2,0,0,0,0|2,0,0]=4 1121 B9R0.10 CC(C)C[C@H](N)P(=O)(O)O CNP0326502.1 [0,2,0,0,0,0|2,0,0]=4 1122 B9R0.15 CCCC(CCC)C(=O)N CNP0104978.0 [0,2,0,0,0,0|1,0,0]=3 1123 B9R0.15 CCCC(CCC)C(=O)O CNP0384704.0 [0,2,0,0,0,0|0,0,0]=2 1124 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0581160.0 [0,2,0,0,0,0|0,0,1]=3 1125 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0588550.0 [0,2,0,0,0,0|0,0,1]=3 1126 B9R0.15 CCOC(OCC)C(=O)O CNP0318292.0 [0,2,0,0,0,0|1,0,0]=3 1127 B9R0.33 CCCC(C(=O)O)C(C)C CNP0499654.0 [0,2,0,0,0,0|0,0,0]=2 1128 B9R0.33 CCOC(C(=O)O)C(=O)O CNP0306774.0 [0,2,0,0,0,0|1,0,1]=4 1129 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CNP0157865.1 [0,2,0,0,0,0|1,0,1]=4 1130 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CNP0541980.2 [0,2,0,0,0,0|1,0,1]=4 1131 B9R0.39 CC(=O)N[C@H](CO)C(=O)O CNP0157865.2 [0,2,0,0,0,0|1,0,1]=4 1132 B9R0.39 CC(=O)N[C@H](CS)C(=O)O CNP0541980.1 [0,2,0,0,0,0|1,0,1]=4 1133 B9R0.39 CC(C)CC(=NO)C(=O)O CNP0082072.0 [0,2,0,0,0,0|1,0,1]=4 1134 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [0,2,0,0,0,0|0,0,0]=2 1135 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,2,0,0,0,0|1,0,0]=3 1136 B9R0.39 CC(C)N[C@@H](CS)C(=O)O CNP0565141.1 [0,2,0,0,0,0|1,0,0]=3 1137 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CNP0177941.1 [0,2,0,0,0,0|1,0,1]=4 1138 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,2,0,0,0,0|0,0,0]=2 1139 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CNP0177941.2 [0,2,0,0,0,0|1,0,1]=4 1140 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,2,0,0,0,0|0,0,0]=2 1141 B9R0.39 CO[C@@H](C[S+](C)C)C(=O)O CNP0328625.1 [0,2,0,0,0,0|1,0,0]=3 1142 B9R0.39 CO[C@@H](C[S+](C)C)C(=O)[O-] CNP0119924.1 [0,2,0,0,0,0|1,0,1]=4 1143 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,2,0,0,0,0|1,0,0]=3 1144 B9R0.57 C[Se](=O)(=O)C[C@H](N)C(=O)O CNP0250364.1 [0,2,0,0,0,0|2,0,0]=4 1145 B9R0.57 [2H]C([2H])([2H])C[C@H](N)C(=O)O CNP0243222.2 [0,2,0,0,0,0|2,0,0]=4 1146 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,1,0,0|1,0,1]=4 1147 B7R1.1 O=CN1CCCC1 CNP0081536.0 [1,0,0,1,0,0|1,0,0]=3 1148 B7R1.1 O=NN1CCCC1 CNP0169288.0 [1,0,0,1,0,0|2,0,0]=4 1149 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [1,0,0,1,0,0|1,0,1]=4 1150 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [1,0,0,1,0,0|1,0,1]=4 1151 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [1,0,0,1,0,0|1,0,1]=4 1152 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [1,0,0,1,0,0|1,0,1]=4 1153 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [1,0,0,1,0,0|2,0,0]=4 1154 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,1,0,0|1,0,1]=4 1155 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|1,0,1]=4 1156 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|1,0,1]=4 1157 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|2,0,0]=4 1158 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [1,0,0,1,0,0|2,0,0]=4 1159 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [1,0,0,1,0,0|2,0,0]=4 1160 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,1,0,0|2,0,0]=4 1161 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,1,0,0|2,0,0]=4 1162 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,0,0,1,0,0|1,0,1]=4 1163 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|0,0,2]=4 1164 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|1,0,0]=3 1165 B7R1.4 CC1OCCC1O CNP0002607.0 [1,0,0,1,0,0|1,0,1]=4 1166 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,1,0,0|1,0,0]=3 1167 B7R1.4 CC1SCCC1O CNP0179885.0 [1,0,0,1,0,0|1,0,1]=4 1168 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,1,0,0|1,0,0]=3 1169 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|0,0,0]=2 1170 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,1,0,0|1,0,1]=4 1171 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,1,0,0|1,0,1]=4 1172 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,1,0,0|0,0,1]=3 1173 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|1,0,0]=3 1174 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|1,0,0]=3 1175 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|0,0,0]=2 1176 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,1,0,0|1,0,1]=4 1177 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|1,0,0]=3 1178 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|1,0,0]=3 1179 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,1,0,0|2,0,0]=4 1180 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,1,0,0|2,0,0]=4 1181 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,0,0,1,0,0|2,0,0]=4 1182 B7R1.4 O=C1CCCC1=O CNP0086052.0 [1,0,0,1,0,0|1,0,1]=4 1183 B7R1.4 O=C1COCC1S CNP0188638.0 [1,0,0,1,0,0|2,0,0]=4 1184 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,1,0,0|2,0,0]=4 1185 B7R1.4 OC1CCCC1O CNP0519159.0 [1,0,0,1,0,0|1,0,1]=4 1186 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,1,0,0|2,0,0]=4 1187 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [1,0,0,1,0,0|1,0,1]=4 1188 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|2,0,0]=4 1189 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,1,0,0|1,0,0]=3 1190 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,1,0,0|1,0,0]=3 1191 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [1,0,0,1,0,0|1,0,0]=3 1192 B7R1.7 CCCCC1CO1 CNP0608682.0 [1,0,0,1,0,0|1,0,1]=4 1193 B7R1.14 CC1(CCCC1)O CNP0579828.0 [1,0,0,1,0,0|1,0,1]=4 1194 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [1,0,0,1,0,0|1,0,1]=4 1195 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,0,0,1,0,1|1,0,1]=4 1196 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,0,0,1,0,1|1,0,0]=3 1197 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,0,0,1,0,1|2,0,0]=4 1198 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,0,0,1,0,1|2,0,0]=4 1199 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [0,0,0,1,0,1|2,0,0]=4 1200 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [0,0,0,1,0,1|2,0,0]=4 1201 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [0,0,0,1,0,1|2,0,0]=4 1202 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [0,0,0,1,0,1|0,0,0]=2 1203 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [0,0,0,1,0,1|1,0,0]=3 1204 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [0,0,0,1,0,1|0,0,2]=4 1205 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [0,0,0,1,0,1|1,0,0]=3 1206 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [0,0,0,1,0,1|0,0,2]=4 1207 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,0,0,1,0,1|1,0,1]=4 1208 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,0,0,1,0,1|0,0,0]=2 1209 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [0,0,0,1,0,1|2,0,0]=4 1210 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,0,0,1,0,1|1,0,1]=4 1211 B9R1.34 CC1CC(CC(C1)O)C CNP0084709.0 [0,0,0,1,0,1|1,0,1]=4 1212 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,0,0,1,0,1|0,1,0]=3 1213 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,0,0,1,0,1|0,1,0]=3 1214 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,0,0,1,0,1|1,0,1]=4 1215 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,0,0,1,0,1|1,0,0]=3 1216 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,0,0,1,0,1|1,0,1]=4 1217 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,0,0,1,0,1|1,0,0]=3 1218 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,0,0,1,0,1|1,0,1]=4 1219 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,0,0,1,0,1|1,0,1]=4 1220 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [0,0,0,1,0,1|1,0,0]=3 1221 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [0,0,0,1,0,1|1,0,0]=3 1222 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,0,0,1,0,1|0,0,0]=2 1223 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,0,0,1,0,1|0,0,0]=2 1224 B9R1.41 NN1CCC[C@H]1C(=O)O CNP0198646.1 [0,0,0,1,0,1|2,0,0]=4 1225 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [0,0,0,1,0,1|1,0,0]=3 1226 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [0,0,0,1,0,1|2,0,0]=4 1227 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [0,0,0,1,0,1|2,0,0]=4 1228 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [0,0,0,1,0,1|1,0,0]=3 1229 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [0,0,0,1,0,1|2,0,0]=4 1230 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [0,0,0,1,0,1|1,0,1]=4 1231 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [0,0,0,1,0,1|2,0,0]=4 1232 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [0,0,0,1,0,1|2,0,0]=4 1233 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [0,0,0,1,0,1|2,0,0]=4 1234 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [0,0,0,1,0,1|2,0,0]=4 1235 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [0,0,0,1,0,1|2,0,0]=4 1236 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [0,0,0,1,0,1|2,0,0]=4 1237 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,1,0,1|1,0,1]=4 1238 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,1,0,1|1,0,0]=3 1239 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,1,0,1|1,0,0]=3 1240 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,1,0,1,0,0|1,0,1]=4 1241 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,1,0,1,0,0|1,0,1]=4 1242 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,1,0,1,0,0|1,0,0]=3 1243 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,1,0,1,0,0|1,0,1]=4 1244 B9R1.3 CN1CCCN(C1=O)C CNP0493752.0 [0,1,0,1,0,0|2,0,0]=4 1245 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [0,1,0,1,0,0|1,0,1]=4 1246 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,1,0,0|0,0,1]=3 1247 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,1,0,1,0,0|2,0,0]=4 1248 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,1,0,1,0,0|2,0,0]=4 1249 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,1,0,1,0,0|2,0,0]=4 1250 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,1,0,1,0,0|2,0,0]=4 1251 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,1,0,1,0,0|2,0,0]=4 1252 B9R1.3 OC1=NCC[C@@H]([C@H]1O)O CNP0125833.1 [0,1,0,1,0,0|2,0,0]=4 1253 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,1,0,1,0,0|0,0,2]=4 1254 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,1,0,1,0,0|1,0,1]=4 1255 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)O CNP0306768.1 [0,1,0,1,0,0|0,0,1]=3 1256 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [0,1,0,1,0,0|1,0,1]=4 1257 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [0,1,0,1,0,0|1,0,1]=4 1258 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,1,0,1,0,0|0,0,2]=4 1259 B9R1.37 CC1=CC(=O)C(C1C)C CNP0591733.0 [0,1,0,1,0,0|1,0,1]=4 1260 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [0,1,0,1,0,0|2,0,0]=4 1261 B9R1.37 C[C@@H]1C[C@@H](C(=O)C1=O)C CNP0314513.1 [0,1,0,1,0,0|0,0,1]=3 1262 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,1,0,1,0,0|1,0,0]=3 1263 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,1,0,1,0,0|1,0,0]=3 1264 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,1,0,1,0,0|1,0,0]=3 1265 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [0,1,0,1,0,0|1,0,1]=4 1266 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [0,1,0,1,0,0|1,0,1]=4 1267 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [0,1,0,1,0,0|1,0,1]=4 1268 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,1,0,1,0,0|0,0,0]=2 1269 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,1,0,1,0,0|0,0,0]=2 1270 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,1,0,1,0,0|0,0,0]=2 1271 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,1,0,1,0,0|0,0,0]=2 1272 B9R1.96 C/C=C/1\CN[C@@H]1C(=O)O CNP0331255.2 [0,1,0,1,0,0|0,0,2]=4 1273 B9R1.96 C/C=C\1/CN[C@@H]1C(=O)O CNP0331255.1 [0,1,0,1,0,0|0,0,2]=4 1274 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,1,0,1,0,0|1,0,1]=4 1275 B9R1.111 CC1(CC1)[C@H](N)C(=O)O CNP0197750.1 [0,1,0,1,0,0|1,0,0]=3 1276 B9R1.111 N[C@H](C(=O)O)C1(CC1)O CNP0161832.1 [0,1,0,1,0,0|1,0,0]=3 1277 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,1,0,0|1,0,0]=3 1278 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|0,0,0]=2 1279 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,1,0,0|2,0,0]=4 1280 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [0,1,0,1,0,0|1,0,1]=4 1281 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,1,0,1,0,0|0,0,2]=4 1282 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,1,0,1,0,0|1,0,0]=3 1283 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,1,0,0|1,0,0]=3 1284 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,1,0,1,0,0|1,0,0]=3 1285 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,1,0,1,0,0|1,0,0]=3 1286 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,1,0,1,0,0|2,0,0]=4 1287 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [0,1,0,1,0,0|2,0,0]=4 1288 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,1,0,1,0,0|1,0,1]=4 1289 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [0,1,0,1,0,0|1,0,1]=4 1290 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,1,0,0|0,0,0]=2 1291 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,1,0,0|0,0,0]=2 1292 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,1,0,0|0,0,0]=2 1293 B9R1.69 C[C@H]1C[C@H](C=CC1=O)O CNP0114089.1 [0,1,0,1,0,0|1,0,1]=4 1294 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,1,0,1,0,0|2,0,0]=4 1295 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,1,0,1,0,0|1,0,1]=4 1296 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,1,0,1,0,0|1,0,1]=4 1297 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,1,0,1,0,0|1,0,0]=3 1298 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,1,0,1,0,0|2,0,0]=4 1299 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [0,1,0,1,0,0|2,0,0]=4 1300 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [0,1,0,1,0,0|1,0,0]=3 1301 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [0,1,0,1,0,0|1,0,0]=3 1302 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [0,1,0,1,0,0|1,0,0]=3 1303 B9R1.6 NC(=O)[C@@H]1CNCCN1 CNP0439932.1 [0,1,0,1,0,0|2,0,0]=4 1304 B9R1.6 NC(=O)[C@H]1CNCCN1 CNP0439932.2 [0,1,0,1,0,0|2,0,0]=4 1305 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [0,1,0,1,0,0|1,0,0]=3 1306 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,1,0,1,0,0|0,0,1]=3 1307 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,1,0,1,0,0|0,0,2]=4 1308 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,1,0,1,0,0|0,0,2]=4 1309 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [0,1,0,1,0,0|0,0,1]=3 1310 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,1,0,1,0,0|0,0,0]=2 1311 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [0,1,0,1,0,0|0,0,0]=2 1312 B9R1.6 O=C(O)C1CSSSC1 CNP0303289.0 [0,1,0,1,0,0|2,0,0]=4 1313 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [0,1,0,1,0,0|0,0,2]=4 1314 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,1,0,1,0,0|0,0,2]=4 1315 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,1,0,1,0,0|0,0,1]=3 1316 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,1,0,1,0,0|0,0,0]=2 1317 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,1,0,1,0,0|0,0,0]=2 1318 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [0,1,0,1,0,0|1,0,0]=3 1319 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [0,1,0,1,0,0|1,0,0]=3 1320 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,1,0,1,0,0|0,0,1]=3 1321 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,1,0,1,0,0|0,0,0]=2 1322 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,1,0,1,0,0|0,0,0]=2 1323 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [0,1,0,1,0,0|1,0,0]=3 1324 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,1,0,1,0,0|0,0,0]=2 1325 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,1,0,1,0,0|0,0,2]=4 1326 B9R1.23 CCC1N=C(C(S1)C)C CNP0002846.0 [0,1,0,1,0,0|2,0,0]=4 1327 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [0,1,0,1,0,0|1,0,0]=3 1328 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,1,0,1,0,0|0,0,2]=4 1329 B9R1.35 CN1C=N[C@@H](C1)C(=O)O CNP0561353.1 [0,1,0,1,0,0|1,0,1]=4 1330 B9R1.35 CN1C=N[C@H](C1)C(=O)O CNP0561353.2 [0,1,0,1,0,0|1,0,1]=4 1331 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,1,0,1,0,0|0,0,0]=2 1332 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,1,0,1,0,0|0,0,0]=2 1333 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,1,0,1,0,0|0,0,0]=2 1334 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,1,0,1,0,0|0,0,0]=2 1335 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,1,0,1,0,0|1,0,0]=3 1336 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,1,0,1,0,0|0,0,0]=2 1337 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,1,0,1,0,0|0,0,0]=2 1338 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,1,0,1,0,0|0,0,0]=2 1339 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,1,0,1,0,0|1,0,0]=3 1340 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,1,0,1,0,0|1,0,1]=4 1341 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,1,0,1,0,0|1,0,0]=3 1342 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [0,1,0,1,0,0|1,0,1]=4 1343 B9R1.35 O=C(O)[C@@H]1CS[S+](C1)[O-] CNP0513817.2 [0,1,0,1,0,0|2,0,0]=4 1344 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,1,0,1,0,0|1,0,0]=3 1345 B9R1.35 O=C(O)[C@@H]1C[C@H](C=N1)O CNP0313115.1 [0,1,0,1,0,0|1,0,1]=4 1346 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,1,0,1,0,0|1,0,0]=3 1347 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [0,1,0,1,0,0|1,0,1]=4 1348 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [0,1,0,1,0,0|1,0,1]=4 1349 B9R1.35 O=C(O)[C@H]1CS[S+](C1)[O-] CNP0513817.3 [0,1,0,1,0,0|2,0,0]=4 1350 B9R1.35 O=C(O)[C@H]1CS[S@+](C1)[O-] CNP0513817.1 [0,1,0,1,0,0|2,0,0]=4 1351 B9R1.35 O=C(O)[C@H]1CS[S@@+](C1)[O-] CNP0513817.4 [0,1,0,1,0,0|2,0,0]=4 1352 B9R1.35 O=C(O)[C@H]1C[C@@H](C=N1)O CNP0313115.2 [0,1,0,1,0,0|1,0,1]=4 1353 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,1,0,1,0,0|1,0,0]=3 1354 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,1,0,1,0,0|1,0,0]=3 1355 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,1,0,1,0,0|1,0,1]=4 1356 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,1,0,1,0,0|1,0,1]=4 1357 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,1,0,1,0,0|1,0,1]=4 1358 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,1,0,1,0,0|1,0,1]=4 1359 B9R1.40 CC1(CCC=CC1=O)O CNP0369589.0 [0,1,0,1,0,0|1,0,1]=4 1360 B9R1.40 C[C@]1(CCCC[C@@H]1O)Cl CNP0062088.1 [0,1,0,1,0,0|1,0,1]=4 1361 B9R1.40 C[C@]1(CCCC[C@@H]1O)O CNP0051612.1 [0,1,0,1,0,0|1,0,1]=4 1362 B9R1.112 CC(=O)[C@H](C)CC1=CC1 CNP0344604.1 [0,1,0,1,0,0|1,0,1]=4 1363 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,1,0,1,0,0|0,0,0]=2 1364 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,1,0,1,0,0|1,0,0]=3 1365 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,1,0,1,0,0|1,0,0]=3 1366 B9R1.163 CC1(CC=CO1)C(=O)O CNP0547644.0 [0,1,0,1,0,0|0,0,2]=4 1367 B9R1.163 CC1(NCCS1)C(=O)N CNP0304038.0 [0,1,0,1,0,0|2,0,0]=4 1368 B9R1.163 C[C@]1(CCCN1)C(=O)O CNP0044930.1 [0,1,0,1,0,0|0,0,0]=2 1369 B9R1.163 NC1(CCCC1)C(=O)O CNP0401519.0 [0,1,0,1,0,0|0,0,0]=2 1370 B9R1.163 N[C@@]1(CCNC1)C(=O)O CNP0418958.2 [0,1,0,1,0,0|1,0,0]=3 1371 B9R1.163 N[C@@]1(CCSC1)C(=O)O CNP0601612.1 [0,1,0,1,0,0|1,0,0]=3 1372 B9R1.163 N[C@]1(CCNC1)C(=O)O CNP0418958.1 [0,1,0,1,0,0|1,0,0]=3 1373 B9R1.163 N[C@]1(CCSC1)C(=O)O CNP0601612.2 [0,1,0,1,0,0|1,0,0]=3 1374 B9R1.165 C[C@@](N)(C(=O)O)C1CC1 CNP0588096.1 [0,1,0,1,0,0|0,0,0]=2 1375 B9R1.165 C[C@](N)(C(=O)O)C1CC1 CNP0588096.2 [0,1,0,1,0,0|0,0,0]=2 1376 B9R1.179 C=CCC1(CC1)C(=O)O CNP0604963.0 [0,1,0,1,0,0|0,0,2]=4 1377 B9R1.36 CC1=C[C@@](OC1=O)(C)O CNP0149675.1 [0,1,0,1,0,0|0,0,2]=4 1378 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,1,0,1,0,0|1,0,0]=3 1379 B9R1.161 C[S+](C)C1CC1C(=O)O CNP0340277.0 [0,1,0,1,0,0|1,0,0]=3 1380 B9R1.161 C[S+](C)[C@@H]1C[C@@H]1C(=O)[O-] CNP0427665.1 [0,1,0,1,0,0|1,0,1]=4 1381 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CNP0465575.1 [0,1,0,1,0,0|1,0,1]=4 1382 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O CNP0465575.2 [0,1,0,1,0,0|1,0,1]=4 1383 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CNP0465575.3 [0,1,0,1,0,0|1,0,1]=4 1384 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [0,0,0,2,0,0|2,0,0]=4 1385 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [0,0,0,2,0,0|2,0,0]=4 1386 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,2,0,0|1,0,0]=3 1387 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,2,0,0|1,0,0]=3 1388 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,2,0,0|2,0,0]=4 1389 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,2,0,0|1,0,0]=3 1390 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,2,0,0|2,0,0]=4 1391 B9R2.150 O=C(O)[C@H]1N[C@H]2[C@@H]1C2 CNP0249310.1 [0,0,0,2,0,0|1,0,0]=3 1392 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,0,0,0,0,2|1,0,1]=4 1393 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,0,0,0,0,2|1,0,0]=3 1394 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,0,0,0,0,2|1,0,0]=3 1395 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,0,0,0,0,2|1,0,0]=3 1396 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,0,0,0,0,2|1,0,0]=3 1397 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,0,0,0,0,2|1,0,0]=3