0 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,0,0,0,0,0|1,0,0]=1 38 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,0,0,0,0,0|4,0,0]=4 44 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,0,0,0,0,0|4,0,0]=4 45 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,0,0,0,0,0|1,0,2]=3 46 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,0,0,0,0,0|1,0,0]=1 48 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,0,0,0,0,0|2,0,1]=3 50 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,0,0,0,0,0|1,0,3]=4 51 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,0,0,0,0,0|1,0,1]=2 52 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,0,0,0,0,0|2,0,1]=3 53 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,0,0,0,0,0|1,0,0]=1 55 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,0,0,0,0,0|2,0,0]=2 56 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,0,0,0,0,0|1,1,0]=2 58 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,0,0,0,0,0|2,0,0]=2 59 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,0,0,0,0,0|1,0,0]=1 60 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,0,0,0,0,0|1,0,0]=1 62 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,0,0,0,0,0|0,0,2]=2 63 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,0,0,0,0,0|0,0,0]=0 64 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,0,0,0,0,0|0,1,0]=1 65 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,0,0,0,0,0|0,1,0]=1 66 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,0,0,0,0,0|0,1,0]=1 67 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,0,0,0,0,0|0,1,0]=1 68 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,0,0,0,0,0|1,0,0]=1 69 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,0,0,0,0,0|0,0,0]=0 70 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,0,0,0,0,0|0,1,0]=1 71 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,0,0,0,0,0|0,1,0]=1 72 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,0,0,0,0,0|2,0,2]=4 73 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,0,0,0,0,0|2,0,2]=4 74 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,0,0,0,0,0|1,0,2]=3 76 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,0,0,0,0,0|1,0,1]=2 77 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,0,0,0,0,0|1,1,1]=3 78 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,0,0,0,0,0|2,0,0]=2 79 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,0,0,0,0,0|1,0,0]=1 80 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,0,0,0,0,0|1,1,0]=2 81 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,0,0,0,0,0|2,0,0]=2 82 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,0,0,0,0,0|1,0,0]=1 83 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,0,0,0,0,0|1,1,2]=4 84 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,0,0,0,0,0|1,0,3]=4 85 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,0,0,0,0,0|1,0,2]=3 86 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,0,0,0,0,0|3,0,0]=3 87 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,0,0,0,0,0|1,0,1]=3 88 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,0,0,0,0|1,0,1]=3 95 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|1,1,0]=3 99 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|2,1,0]=4 100 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,0,0,0,0|1,1,1]=4 102 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|1,0,0]=2 107 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|1,0,1]=3 108 B5R0.1 CCCC(O)O CNP0076336.0 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.1 CCCS(=S)O CNP0558357.0 [1,0,0,0,0,0|2,1,0]=4 110 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.1 CN(C)CCO CNP0230038.0 [1,0,0,0,0,0|3,0,0]=4 119 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,0,0,0,0|1,0,1]=3 128 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|2,0,0]=3 130 B5R0.1 N#CCC(=O)N CNP0086390.0 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,0,0,0,0,0|1,0,1]=3 132 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|1,0,0]=2 133 B5R0.1 NCCP(=O)O CNP0498602.0 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,0,0,0,0,0|2,0,0]=3 135 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.1 NCNC(=O)N CNP0046326.0 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.1 NOCC(=O)O CNP0293826.0 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|1,0,2]=4 141 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|0,0,0]=1 143 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|0,1,0]=2 144 B5R0.1 O=C(O)CNO CNP0316873.0 [1,0,0,0,0,0|1,0,0]=2 145 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|0,0,2]=3 146 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,0,0,0,0,0|1,0,1]=3 147 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,0,0,0,0,0|2,0,0]=3 148 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,0,0,0,0|3,0,0]=4 150 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,0,0,0,0|3,0,0]=4 152 B5R0.3 CC(=NO)CO CNP0284253.0 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.3 CC(CO)CO CNP0282467.0 [1,0,0,0,0,0|1,0,1]=3 154 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,0,0,0,0|3,0,0]=4 158 B5R0.3 CCC(O)CO CNP0534149.0 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|2,0,0]=3 160 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.3 CN(C=O)CO CNP0412364.0 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.3 COC(C)CO CNP0485411.0 [1,0,0,0,0,0|3,0,0]=4 165 B5R0.3 NC(CO)CO CNP0535001.0 [1,0,0,0,0,0|0,0,1]=2 166 B5R0.3 O=C(CO)CO CNP0303926.0 [1,0,0,0,0,0|1,0,2]=4 167 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,0,0,0,0,0|1,0,2]=4 168 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,0,0,0,0,0|1,0,2]=4 169 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,0,0,0,0,0|1,0,0]=2 170 B5R0.3 OCC(O)CCl CNP0334066.0 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.3 OCC(O)CO CNP0259986.0 [1,0,0,0,0,0|1,0,1]=3 172 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [1,0,0,0,0,0|1,1,1]=4 173 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [1,0,0,0,0,0|1,1,1]=4 174 B5R0.3 OC[C@H](O)CI CNP0103876.1 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.3 OC[C@H](S)CS CNP0341544.2 [1,0,0,0,0,0|1,1,1]=4 176 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,0,0,0,0,0|1,0,1]=3 180 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,0,0,0,0|3,0,0]=4 181 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,0,0,0,0|3,0,0]=4 182 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,0,0,0,0,0|1,0,2]=4 183 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [1,0,0,0,0,0|1,0,2]=4 184 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,0,0,0,0,0|0,0,2]=3 185 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,0,0,0,0,0|1,0,1]=3 186 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,0,0,0,0,0|2,0,0]=3 187 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,0,0,0,0,0|0,0,2]=3 189 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,0,0,0,0,0|1,0,2]=4 191 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,0,0,0,0,0|1,0,1]=3 192 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,0,0,0,0,0|3,0,0]=4 193 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,0,0,0,0,0|2,0,0]=3 194 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,0,0,0,0,0|2,0,0]=3 195 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,0,0,0,0,0|2,0,0]=3 196 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,0,0,0,0,0|3,0,0]=4 197 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,0,0,0,0,0|2,0,0]=3 198 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,0,0,0,0,0|2,0,0]=3 199 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,0,0,0,0,0|2,0,0]=3 200 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,0,0,0,0,0|2,0,0]=3 201 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,0,0,0,0,0|1,0,0]=2 202 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,0,0,0,0,0|1,0,1]=3 207 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,0,0,0,0,0|1,0,1]=3 208 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,0,0,0,0,0|1,0,1]=3 209 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,0,0,0,0,0|1,0,1]=3 210 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,0,0,0,0,0|1,0,1]=3 211 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,0,0,0,0,0|0,0,0]=1 213 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,0,0,0,0,0|1,0,0]=2 214 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,0,0,0,0,0|0,0,0]=1 216 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,0,0,0,0,0|1,0,0]=2 217 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,0,0,0,0,0|2,0,1]=4 219 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,0,0,0,0,0|1,0,0]=2 220 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [1,0,0,0,0,0|1,0,2]=4 221 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,0,0,0,0,0|0,0,2]=3 222 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [1,0,0,0,0,0|3,0,0]=4 223 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [1,0,0,0,0,0|3,0,0]=4 224 B5R0.5 NC(=O)C(I)I CNP0182681.0 [1,0,0,0,0,0|3,0,0]=4 225 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [1,0,0,0,0,0|3,0,0]=4 226 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,0,0,0,0,0|0,0,0]=1 227 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,0,0,0,0,0|1,0,1]=3 228 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,0,0,0,0,0|2,0,0]=3 229 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,0,0,0,0,0|2,0,0]=3 230 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,0,0,0,0,0|2,0,0]=3 231 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,0,0,0,0,0|1,0,0]=2 232 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,0,0,0,0,0|2,0,0]=3 233 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,0,0,0,0,0|2,0,0]=3 234 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,0,0,0,0,0|2,0,0]=3 235 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,0,0,0,0,0|2,0,0]=3 236 B5R0.5 O=S(O)S(=O)O CNP0446885.0 [1,0,0,0,0,0|3,0,0]=4 237 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,0,0,0,0,0|1,0,1]=3 238 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [0,1,0,0,0,0|1,0,0]=2 239 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [0,1,0,0,0,0|1,0,0]=2 240 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,1,0,0,0,0|1,0,1]=3 242 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,1,0,0,0,0|2,0,0]=3 243 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,1,0,0,0,0|1,0,0]=2 244 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,1,0,0,0,0|1,0,0]=2 245 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,1,0,0,0,0|1,0,1]=3 246 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,0,0,0,0|3,0,0]=4 251 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,1,0,0,0,0|3,0,0]=4 253 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,1,0,0,0,0|1,0,0]=2 255 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,1,0,0,0,0|3,0,0]=4 256 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,1,0,0,0,0|2,0,0]=3 260 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,1,0,0,0,0|1,0,0]=2 261 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,1,0,0,0,0|2,0,0]=3 262 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,1,0,0,0,0|1,0,0]=2 264 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,1,0,0,0,0|1,0,0]=2 265 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,1,0,0,0,0|0,1,0]=2 266 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,1,0,0,0,0|0,1,0]=2 267 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,1,0,0,0,0|2,0,0]=3 268 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,1,0,0,0,0|2,0,0]=3 269 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,1,0,0,0,0|0,1,0]=2 270 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [0,1,0,0,0,0|1,0,0]=2 271 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [0,1,0,0,0,0|1,0,0]=2 272 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [0,1,0,0,0,0|0,0,1]=2 273 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,1,0,0,0,0|1,0,0]=2 274 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,1,0,0,0,0|1,0,0]=2 275 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,1,0,0,0,0|0,0,0]=1 276 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,1,0,0,0,0|0,0,1]=2 277 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,1,0,0,0,0|0,0,0]=1 278 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,1,0,0,0,0|0,1,0]=2 279 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,1,0,0,0,0|0,1,0]=2 280 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,1,0,0,0,0|0,0,0]=1 281 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [0,1,0,0,0,0|0,1,0]=2 282 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [0,1,0,0,0,0|0,1,0]=2 283 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [0,1,0,0,0,0|0,0,1]=2 284 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,1,0,0,0,0|0,0,1]=2 285 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,1,0,0,0,0|0,0,0]=1 286 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,1,0,0,0,0|0,1,0]=2 287 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [0,1,0,0,0,0|0,1,0]=2 288 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|1,0,1]=3 289 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,1,0,0,0,0|1,0,0]=2 290 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,1,0,0,0,0|2,0,0]=3 292 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,1,0,0,0,0|2,0,0]=3 293 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|3,0,0]=4 294 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|3,0,0]=4 296 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,0,0,0,0|2,0,0]=3 297 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|2,0,0]=3 298 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|2,0,0]=3 299 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,1,0,0,0,0|3,0,0]=4 301 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,1,0,0,0,0|3,0,0]=4 302 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,1,0,0,0,0|1,0,0]=2 303 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,1,0,0,0,0|0,0,0]=1 304 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,1,0,0,0,0|0,1,0]=2 305 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,1,0,0,0,0|1,0,0]=2 306 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|1,0,2]=4 307 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,1,0,0,0,0|0,1,0]=2 308 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,1,0,0,0,0|1,0,0]=2 309 B7R0.10 C[C@@H](CO)/[N+](=N\O)/[O-] CNP0110510.1 [0,1,0,0,0,0|2,0,1]=4 310 B7R0.10 C[C@H](CO)N(O)N=O CNP0202103.1 [0,1,0,0,0,0|2,0,0]=3 311 B7R0.10 N=CC(O)C(O)CO CNP0082119.0 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.10 NC(=NO)C(=NO)N CNP0293434.0 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,1,0,0,0,0|1,0,0]=2 315 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,1,0,0,0,0|1,0,0]=2 316 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,1,0,0,0,0|1,0,1]=3 317 B7R0.10 OC[C@@H](O)[C@@H](O)CO CNP0150660.1 [0,1,0,0,0,0|1,0,2]=4 318 B7R0.10 OC[C@@H](O)[C@H](O)CO CNP0150660.2 [0,1,0,0,0,0|1,0,2]=4 319 B7R0.10 OC[C@H](O)[C@@H](O)CO CNP0150660.3 [0,1,0,0,0,0|1,0,2]=4 320 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,1,0,0,0,0|1,0,0]=2 321 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,1,0,0,0,0|1,0,0]=2 322 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,1,0,0,0,0|2,0,0]=3 323 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,1,0,0,0,0|1,0,0]=2 324 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [0,1,0,0,0,0|3,0,0]=4 325 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,1,0,0,0,0|2,0,0]=3 326 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,1,0,0,0,0|1,0,0]=2 327 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,1,0,0,0,0|2,0,0]=3 328 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,1,0,0,0,0|3,0,0]=4 329 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,1,0,0,0,0|0,0,0]=1 330 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,1,0,0,0,0|0,0,0]=1 331 B7R0.14 NC[C@H](O)P(=O)(O)O CNP0246536.1 [0,1,0,0,0,0|3,0,0]=4 332 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,1,0,0,0,0|1,0,1]=3 333 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,1,0,0,0,0|1,0,2]=4 334 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,1,0,0,0,0|3,0,0]=4 335 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [0,1,0,0,0,0|3,0,0]=4 336 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [0,1,0,0,0,0|3,0,0]=4 337 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,1,0,0,0,0|2,0,0]=3 338 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,1,0,0,0,0|1,0,0]=2 339 B7R0.15 CCC(CO)[N+](=O)[O-] CNP0572380.0 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,1,0,0,0,0|1,0,0]=2 341 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,1,0,0,0,0|1,0,0]=2 342 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,1,0,0,0,0|0,0,0]=1 343 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,1,0,0,0,0|1,0,0]=2 344 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,1,0,0,0,0|0,0,0]=1 345 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [0,1,0,0,0,0|0,0,0]=1 346 B7R0.15 O=C(O)C(=CCl)CCl CNP0275314.0 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [0,1,0,0,0,0|2,0,0]=3 348 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [0,1,0,0,0,0|1,1,0]=3 349 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,1,0,0,0,0|1,0,1]=3 350 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,1,0,0,0,0|1,0,1]=3 351 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,0,0|1,0,2]=4 352 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,0,0,0,0|3,0,0]=4 353 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,0,0,0,0|3,0,0]=4 354 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,0,0,0,0|3,0,0]=4 355 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,0,0|0,0,2]=3 356 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,1,0,0,0,0|1,0,1]=3 357 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,0,0,0,0|1,0,0]=2 359 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,0,0,0,0|2,0,0]=3 361 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,0,0,0,0|1,0,0]=2 362 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,0,0,0,0|2,0,0]=3 363 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,1,0,0,0,0|2,0,0]=3 364 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,1,0,0,0,0|2,0,0]=3 365 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,1,0,0,0,0|2,0,0]=3 366 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,1,0,0,0,0|1,0,2]=4 367 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,1,0,0,0,0|3,0,0]=4 368 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,1,0,0,0,0|1,0,0]=2 369 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,1,0,0,0,0|1,0,0]=2 370 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,0,0|1,0,1]=3 371 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,1,0,0,0,0|0,0,0]=1 372 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,0,0,0,0|1,0,0]=2 373 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,1,0,0,0,0|0,0,0]=1 374 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,1,0,0,0,0|1,0,0]=2 375 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,1,0,0,0,0|0,0,0]=1 376 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,1,0,0,0,0|1,0,0]=2 377 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,1,0,0,0,0|0,1,0]=2 378 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,1,0,0,0,0|0,1,0]=2 379 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,1,0,0,0,0|2,0,0]=3 380 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,1,0,0,0,0|2,0,0]=3 381 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,0,0,0,0|1,0,0]=2 382 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,1,0,0,0,0|1,0,0]=2 383 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,1,0,0,0,0|1,0,0]=2 384 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,0,0,0,0|1,0,0]=2 385 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,1,0,0,0,0|0,0,0]=1 386 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,0,0,0,0|1,0,0]=2 387 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,1,0,0,0,0|1,0,0]=2 388 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,1,0,0,0,0|0,0,0]=1 389 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,1,0,0,0,0|0,1,0]=2 390 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,1,0,0,0,0|0,1,0]=2 391 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,1,0,0,0,0|0,0,1]=2 392 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,1,0,0,0,0|1,0,2]=4 393 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,1,0,0,0,0|1,0,1]=3 394 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,0,0,0,0|1,0,0]=2 395 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,1,0,0|2,0,1]=4 396 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,0,0,1,0,0|3,0,0]=4 397 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|2,0,0]=3 398 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|3,0,0]=4 399 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|2,0,0]=3 400 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|3,0,0]=4 401 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|2,0,0]=3 402 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|1,0,0]=2 403 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [0,0,0,1,0,0|1,0,0]=2 404 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,0,0,1,0,0|1,0,0]=2 405 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,0,0,1,0,0|1,1,1]=4 406 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,0,0,1,0,0|1,1,1]=4 407 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|1,0,0]=2 408 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,1,0,0|1,1,0]=3 409 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,0,0,1,0,0|1,0,0]=2 410 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,1,0,0|2,0,0]=3 411 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,1,0,0|3,0,0]=4 412 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,0,0,1,0,0|2,0,1]=4 413 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,0,0,1,0,0|2,0,1]=4 414 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,0,0,1,0,0|2,0,1]=4 415 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,0,0,1,0,0|1,0,2]=4 416 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,0,0,1,0,0|1,0,0]=2 417 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,0,0,1,0,0|3,0,0]=4 418 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,0,0,1,0,0|1,0,0]=2 419 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,0,0,1,0,0|1,0,0]=2 420 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,0,0,1,0,0|1,0,0]=2 421 B7R1.19 O=C(O)C1(NN1)O CNP0312168.0 [0,0,0,1,0,0|3,0,0]=4 422 B7R1.22 OC[C@@H](O)C1OO1 CNP0531220.1 [0,0,0,1,0,0|1,0,2]=4 423 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [0,0,0,0,0,1|2,0,1]=4 424 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,0,0,0,0,1|2,0,1]=4 425 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,0,0,0,0,1|2,0,1]=4 426 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,0,0,0,0,1|1,0,0]=2 427 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,0,0,0,0,1|2,0,1]=4 428 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,0,0,0,0,1|2,0,1]=4 429 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,0,0,0,0,1|3,0,0]=4 430 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,0,0,0,0,1|2,0,0]=3 431 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,0,0,0,0,1|3,0,0]=4 432 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,0,0,0,0,1|3,0,0]=4 433 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,0,0,0,0,1|3,0,0]=4 434 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,0,0,0,0,1|2,0,0]=3 435 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,0,0,0,0,1|3,0,0]=4 436 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,0,0,0,0,1|3,0,0]=4 437 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,0,0,0,0,1|2,0,0]=3 438 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,0,0,0,0,1|1,0,0]=2 439 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,0,0,0,0,1|2,0,0]=3 440 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,0,0,0,0,1|1,0,0]=2 441 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,0,0,0,0,1|2,0,0]=3 442 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,0,0,0,0,1|0,1,0]=2 443 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,0,0,0,0,1|0,0,2]=3 444 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,0,0,0,0,1|0,0,0]=1 445 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,0,0,0,0,1|2,0,1]=4 446 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,0,0,0,0,1|1,0,0]=2 447 B4R0.1 C#CC(=O)O CNP0579203.0 [2,0,0,0,0,0|0,0,2]=4 448 B4R0.1 C=C(Br)CO CNP0506207.0 [2,0,0,0,0,0|1,0,1]=4 449 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|1,0,1]=4 450 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|2,0,0]=4 451 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|1,0,1]=4 452 B4R0.1 C=C(O)C=O CNP0542377.0 [2,0,0,0,0,0|1,0,1]=4 453 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|0,0,2]=4 454 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|2,0,0]=4 455 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|2,0,0]=4 456 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|2,0,0]=4 457 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,1]=4 458 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|2,0,0]=4 459 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|2,0,0]=4 460 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,0]=3 461 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,0]=3 462 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,1,0]=4 463 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 464 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|2,0,0]=4 466 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|1,0,0]=3 467 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|1,0,0]=3 468 B4R0.1 CC(C)CO CNP0493868.0 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.1 CC(N)C#N CNP0567528.0 [2,0,0,0,0,0|1,0,1]=4 470 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|0,0,0]=2 471 B4R0.1 CC(N)CN CNP0579261.0 [2,0,0,0,0,0|1,0,1]=4 472 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 473 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 474 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|1,0,0]=3 475 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 476 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 477 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 478 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|0,0,0]=2 479 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|0,0,1]=3 480 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|0,0,1]=3 481 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|0,0,1]=3 482 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,1]=4 483 B4R0.1 CCC(O)O CNP0533578.0 [2,0,0,0,0,0|0,0,2]=4 484 B4R0.1 CCC(O)S CNP0612126.0 [2,0,0,0,0,0|0,1,1]=4 485 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|1,0,1]=4 486 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|1,0,1]=4 487 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|2,0,0]=4 488 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|1,0,0]=3 489 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|2,0,0]=4 490 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 491 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|1,0,0]=3 492 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|2,0,0]=4 493 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|2,0,0]=4 495 B4R0.1 C[C@@H](N)CO CNP0589695.1 [2,0,0,0,0,0|0,0,1]=3 496 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,0]=3 497 B4R0.1 C[C@@H](O)CO CNP0522839.2 [2,0,0,0,0,0|1,0,0]=3 498 B4R0.1 C[C@H](N)CO CNP0589695.2 [2,0,0,0,0,0|0,0,1]=3 499 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,0]=3 500 B4R0.1 C[C@H](O)CBr CNP0593715.1 [2,0,0,0,0,0|2,0,0]=4 501 B4R0.1 C[C@H](O)CN CNP0571248.1 [2,0,0,0,0,0|1,0,1]=4 502 B4R0.1 C[C@H](O)CO CNP0522839.1 [2,0,0,0,0,0|1,0,0]=3 503 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|1,0,1]=4 504 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|0,0,2]=4 505 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|1,0,1]=4 506 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|1,0,1]=4 507 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|0,0,1]=3 508 B4R0.1 NC(=O)NO CNP0593192.0 [2,0,0,0,0,0|1,0,1]=4 509 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|1,0,0]=3 510 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|0,0,0]=2 511 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|0,0,1]=3 512 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 513 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 514 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|1,0,0]=3 515 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|1,0,0]=3 516 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|1,0,0]=3 517 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|0,0,0]=2 518 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|0,1,0]=3 519 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|0,0,2]=4 520 B4R0.1 O=CC(Br)Br CNP0551465.0 [2,0,0,0,0,0|2,0,0]=4 521 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [2,0,0,0,0,0|2,0,0]=4 522 B4R0.1 OCC(Cl)Cl CNP0479097.0 [2,0,0,0,0,0|2,0,0]=4 523 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [2,0,0,0,0,0|2,0,0]=4 524 B4R0.2 C#CCC=O CNP0596193.0 [2,0,0,0,0,0|1,0,1]=4 525 B4R0.2 C#CCCO CNP0577358.0 [2,0,0,0,0,0|1,0,1]=4 526 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|2,0,0]=4 527 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|2,0,0]=4 528 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,0]=3 529 B4R0.2 C=CCSO CNP0600527.0 [2,0,0,0,0,0|2,0,0]=4 530 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|1,0,1]=4 531 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|1,0,0]=3 532 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|1,0,1]=4 533 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|2,0,0]=4 534 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|2,0,0]=4 535 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|2,0,0]=4 536 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|2,0,0]=4 537 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|2,0,0]=4 538 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|2,0,0]=4 539 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,0]=3 540 B4R0.2 NCCCO CNP0538228.0 [2,0,0,0,0,0|1,0,1]=4 541 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|0,0,2]=4 542 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|0,0,0]=2 543 B4R0.2 OCC=CCl CNP0578872.0 [2,0,0,0,0,0|1,0,1]=4 544 B4R0.2 OCCCBr CNP0506989.0 [2,0,0,0,0,0|1,0,1]=4 545 B4R0.2 OCCCO CNP0503416.0 [2,0,0,0,0,0|0,0,1]=3 546 B4R0.2 OCCCS CNP0586497.0 [2,0,0,0,0,0|0,1,1]=4 547 B6R0.1 C=C(CO)CCO CNP0082069.0 [1,1,0,0,0,0|1,0,0]=3 548 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,1,0,0,0,0|2,0,0]=4 549 B6R0.1 CC(=CCO)CO CNP0277047.0 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,1,0,0,0,0|2,0,0]=4 551 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,1,0,0,0,0|2,0,0]=4 552 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,1,0,0,0,0|1,0,1]=4 553 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,1,0,0,0,0|2,0,0]=4 554 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|1,0,0]=3 555 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|1,0,0]=3 556 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,1,0,0,0,0|1,1,0]=4 557 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,1,0,0,0,0|2,0,0]=4 558 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,1,0,0,0,0|2,0,0]=4 559 B6R0.1 COC(=O)C=NO CNP0235637.0 [1,1,0,0,0,0|1,0,1]=4 560 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,1,0,0,0,0|0,0,2]=4 561 B6R0.1 COC(=O)CSC CNP0189712.0 [1,1,0,0,0,0|2,0,0]=4 562 B6R0.1 COCC(=O)OC CNP0202591.0 [1,1,0,0,0,0|2,0,0]=4 563 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,1,0,0,0,0|0,0,1]=3 564 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [1,1,0,0,0,0|0,0,2]=4 565 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,1,0,0,0,0|0,0,1]=3 567 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,1,0,0,0,0|0,0,2]=4 568 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,1,0,0,0,0|0,0,2]=4 569 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|2,0,0]=4 570 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|1,0,0]=3 571 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|1,0,0]=3 572 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|2,0,0]=4 573 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|1,0,0]=3 574 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,1,0,0,0,0|2,0,0]=4 575 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|1,0,0]=3 576 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|0,0,0]=2 577 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|1,0,0]=3 579 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|0,0,0]=2 580 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|1,0,0]=3 581 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,1,0,0,0,0|1,0,1]=4 582 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,1,0,0,0,0|2,0,0]=4 583 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [1,1,0,0,0,0|0,0,2]=4 584 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,1,0,0,0,0|0,0,1]=3 585 B6R0.4 C#CNCC(=O)O CNP0073758.0 [1,1,0,0,0,0|1,0,1]=4 586 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|2,0,0]=4 587 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,1,0,0,0,0|2,0,0]=4 588 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,1,0,0,0,0|1,0,0]=3 589 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|2,0,0]=4 590 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|1,0,1]=4 591 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|2,0,0]=4 592 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,0]=3 593 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|1,1,0]=4 594 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|2,0,0]=4 595 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|2,0,0]=4 596 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|1,0,0]=3 597 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|1,0,1]=4 599 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|2,0,0]=4 600 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|2,0,0]=4 601 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|1,0,0]=3 603 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|1,0,0]=3 604 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|2,0,0]=4 605 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|2,0,0]=4 606 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|2,0,0]=4 607 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|1,0,0]=3 608 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,1,0,0,0,0|2,0,0]=4 609 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|1,0,0]=3 610 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|1,0,0]=3 611 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|1,1,0]=4 612 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,1,0,0,0,0|1,1,0]=4 613 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|0,1,0]=3 614 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,1,0,0,0,0|1,0,1]=4 616 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,1,0,0,0,0|1,0,0]=3 617 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|1,0,1]=4 618 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|1,0,0]=3 619 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|0,0,1]=3 620 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|0,0,0]=2 621 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,1,0,0,0,0|0,0,1]=3 622 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,1,0,0,0,0|0,0,1]=3 623 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,1,0,0,0,0|0,0,2]=4 624 B6R0.4 O=S(=O)OCCO CNP0082071.0 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [1,1,0,0,0,0|2,0,0]=4 627 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [1,1,0,0,0,0|2,0,0]=4 628 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [1,1,0,0,0,0|2,0,0]=4 629 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [1,1,0,0,0,0|2,0,0]=4 630 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [1,1,0,0,0,0|2,0,0]=4 631 B6R0.5 O=P(O)(O)CCBr CNP0439057.0 [1,1,0,0,0,0|2,0,0]=4 632 B6R0.5 O=P(O)(O)CCCl CNP0610068.0 [1,1,0,0,0,0|2,0,0]=4 633 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [1,1,0,0,0,0|1,0,0]=3 634 B6R0.5 O=S(=O)(Cl)CCO CNP0242447.0 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [1,1,0,0,0,0|1,0,0]=3 636 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [1,1,0,0,0,0|1,1,0]=4 637 B6R0.8 CC(N)(CO)CO CNP0076432.0 [1,1,0,0,0,0|0,0,1]=3 638 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|2,0,0]=4 639 B6R0.9 COC(CO)CO CNP0242404.0 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [1,1,0,0,0,0|2,0,0]=4 641 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [1,1,0,0,0,0|2,0,0]=4 642 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [1,1,0,0,0,0|2,0,0]=4 643 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [1,1,0,0,0,0|1,0,0]=3 644 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [1,1,0,0,0,0|0,0,0]=2 645 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [1,1,0,0,0,0|1,0,0]=3 646 B6R0.7 C[C@@H](N)P(=O)(O)O CNP0371160.2 [1,1,0,0,0,0|1,0,0]=3 647 B6R0.7 C[C@@H](O)S(=O)(=O)O CNP0184679.1 [1,1,0,0,0,0|2,0,0]=4 648 B6R0.7 C[C@H](N)P(=O)(O)O CNP0371160.1 [1,1,0,0,0,0|1,0,0]=3 649 B6R0.7 O=C(O)C(Br)(Br)Br CNP0082210.0 [1,1,0,0,0,0|2,0,0]=4 650 B6R0.7 O=C(O)C(Cl)(Cl)Cl CNP0083486.0 [1,1,0,0,0,0|2,0,0]=4 651 B6R0.7 O=C(O)P(=O)(O)O CNP0366447.0 [1,1,0,0,0,0|2,0,0]=4 652 B8R0.2 C=C(C(=O)O)[C@H](O)CO CNP0177304.1 [0,1,0,0,0,1|1,0,0]=3 653 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,1,0,0,0,1|2,0,0]=4 654 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,1,0,0,0,1|2,0,0]=4 655 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,1,0,0,0,1|2,0,0]=4 656 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,1,0,0,0,1|2,0,0]=4 657 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,1,0,0,0,1|2,0,0]=4 658 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,0,0,0,1|2,0,0]=4 659 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,1,0,0,0,1|2,0,0]=4 660 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,1,0,0,0,1|2,0,0]=4 661 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,1,0,0,0,1|2,0,0]=4 662 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,1,0,0,0,1|2,0,0]=4 663 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,1,0,0,0,1|1,0,0]=3 664 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,1,0,0,0,1|2,0,0]=4 665 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,0,0,0,1|2,0,0]=4 666 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,1,0,0,0,1|2,0,0]=4 667 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,1,0,0,0,1|2,0,0]=4 668 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,1,0,0,0,1|2,0,0]=4 669 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,1,0,0,0,1|2,0,0]=4 670 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,1,0,0,0,1|1,0,0]=3 671 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,1,0,0,0,1|2,0,0]=4 672 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,1,0,0,0,1|2,0,0]=4 673 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,1,0,0,0,1|1,0,0]=3 674 B8R0.2 NC(=O)[C@H](O)[C@H](O)CO CNP0299919.1 [0,1,0,0,0,1|2,0,0]=4 675 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [0,1,0,0,0,1|2,0,0]=4 676 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [0,1,0,0,0,1|2,0,0]=4 677 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [0,1,0,0,0,1|2,0,0]=4 678 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [0,1,0,0,0,1|2,0,0]=4 679 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,1,0,0,0,1|1,0,0]=3 680 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,1,0,0,0,1|1,0,0]=3 681 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [0,1,0,0,0,1|2,0,0]=4 682 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,1,0,0,0,1|1,0,0]=3 683 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [0,1,0,0,0,1|2,0,0]=4 684 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,1,0,0,0,1|1,0,0]=3 685 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,1,0,0,0,1|1,0,0]=3 686 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,1,0,0,0,1|1,0,0]=3 687 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,1,0,0,0,1|1,0,0]=3 688 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,1,0,0,0,1|1,0,0]=3 689 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,1,0,0,0,1|1,0,0]=3 690 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CNP0144827.5 [0,1,0,0,0,1|1,0,1]=4 691 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,1,0,0,0,1|1,0,1]=4 692 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,1,0,0,0,1|2,0,0]=4 693 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,1,0,0,0,1|2,0,0]=4 694 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,1,0,0,0,1|2,0,0]=4 695 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,1,0,0,0,1|2,0,0]=4 696 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [0,1,0,0,0,1|2,0,0]=4 697 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,1,0,0,0,1|2,0,0]=4 698 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,1,0,0,0,1|2,0,0]=4 699 B8R0.16 O=C(O)C=C(CO)CO CNP0103761.0 [0,1,0,0,0,1|1,0,1]=4 700 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,0,0,0,1|2,0,0]=4 701 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,0,0,0,1|2,0,0]=4 702 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,1,0,0,0,1|1,0,0]=3 703 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [0,1,0,0,0,1|1,0,1]=4 704 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,1,0,0,0,1|1,0,1]=4 705 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,1,0,0,0,1|1,0,0]=3 706 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,1,0,0,0,1|2,0,0]=4 707 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,1,0,0,0,1|0,0,0]=2 708 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,1,0,0,0,1|1,0,1]=4 709 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,1,0,0,0,1|1,0,1]=4 710 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,1,0,0,0,1|1,0,1]=4 711 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,1,0,0,0,1|1,0,1]=4 712 B8R0.23 NC(=O)N[C@H](N)C(=O)O CNP0313342.1 [0,1,0,0,0,1|1,0,1]=4 713 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,1,0,0,0,1|0,0,2]=4 714 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,1,0,0,0,1|0,0,2]=4 715 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,1,0,0,0,1|0,0,2]=4 716 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,1,0,0,0,1|1,0,1]=4 717 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,1,0,0,0,1|0,0,1]=3 718 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,1,0,0,0,1|0,0,1]=3 719 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,1,0,0,0,1|1,0,1]=4 720 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,1,0,0,0,1|1,0,1]=4 721 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,1,0,0,0,1|1,0,1]=4 722 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,1,0,0,0,1|1,0,1]=4 723 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,1,0,0,0,1|0,0,1]=3 724 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,1,0,0,0,1|1,0,1]=4 725 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,1,0,0,0,1|1,0,1]=4 726 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,1,0,0,0,1|1,0,1]=4 727 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,1,0,0,0,1|1,0,1]=4 728 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,1,0,0,0,1|1,0,1]=4 729 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,1,0,0,0,1|1,0,1]=4 730 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,1,0,0,0,1|1,0,1]=4 731 B8R0.24 C[C@H](CO)OP(=O)(O)O CNP0315412.1 [0,1,0,0,0,1|2,0,0]=4 732 B8R0.24 N[C@@H](CO)CS(=O)(=O)O CNP0250867.1 [0,1,0,0,0,1|1,0,0]=3 733 B8R0.24 N[C@H](CO)CS(=O)(=O)O CNP0250867.2 [0,1,0,0,0,1|1,0,0]=3 734 B8R0.24 O=S(=O)(O)C[C@@H](O)CO CNP0018749.1 [0,1,0,0,0,1|2,0,0]=4 735 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,1,0,0,0,1|2,0,0]=4 736 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|2,0,0]=4 737 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|2,0,0]=4 738 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|0,0,0]=2 739 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,2,0,0,0,0|0,1,0]=3 740 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|2,0,0]=4 741 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|0,0,0]=2 742 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,2,0,0,0,0|2,0,0]=4 743 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,2,0,0,0,0|0,0,0]=2 744 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,2,0,0,0,0|0,0,0]=2 745 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO CNP0204667.2 [0,2,0,0,0,0|1,0,1]=4 746 B8R0.3 O=CC[C@H](O)[C@H](O)CO CNP0204667.1 [0,2,0,0,0,0|1,0,1]=4 747 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [0,2,0,0,0,0|1,0,0]=3 748 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [0,2,0,0,0,0|1,0,0]=3 749 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,2,0,0,0,0|1,0,0]=3 750 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,2,0,0,0,0|1,0,0]=3 751 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [0,2,0,0,0,0|1,0,1]=4 752 B8R0.8 C=C=CC[C@H](N)C(=O)O CNP0263596.1 [0,2,0,0,0,0|1,0,0]=3 753 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [0,2,0,0,0,0|1,0,1]=4 754 B8R0.8 C=CSC[C@H](N)C(=O)O CNP0135574.1 [0,2,0,0,0,0|0,1,0]=3 755 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [0,2,0,0,0,0|1,0,0]=3 756 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,2,0,0,0,0|2,0,0]=4 757 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,2,0,0,0,0|1,0,0]=3 758 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,2,0,0,0,0|1,0,0]=3 760 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,2,0,0,0,0|2,0,0]=4 761 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,2,0,0,0,0|0,1,0]=3 762 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [0,2,0,0,0,0|0,0,1]=3 763 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [0,2,0,0,0,0|0,0,1]=3 764 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,2,0,0,0,0|1,1,0]=4 765 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,2,0,0,0,0|0,1,0]=3 766 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,2,0,0,0,0|0,1,0]=3 767 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [0,2,0,0,0,0|1,1,0]=4 768 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [0,2,0,0,0,0|0,1,0]=3 769 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [0,2,0,0,0,0|0,1,0]=3 770 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,2,0,0,0,0|1,0,0]=3 772 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [0,2,0,0,0,0|0,1,0]=3 773 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,2,0,0,0,0|0,1,0]=3 774 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [0,2,0,0,0,0|1,0,0]=3 775 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,2,0,0,0,0|1,0,0]=3 776 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,2,0,0,0,0|2,0,0]=4 777 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,2,0,0,0,0|1,0,0]=3 778 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [0,2,0,0,0,0|0,0,0]=2 779 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [0,2,0,0,0,0|0,0,0]=2 780 B8R0.8 N[C@@H](C/C=C/Cl)C(=O)O CNP0123957.2 [0,2,0,0,0,0|1,0,0]=3 781 B8R0.8 N[C@@H](C/C=C\Cl)C(=O)O CNP0123957.1 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [0,2,0,0,0,0|0,0,1]=3 783 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,2,0,0,0,0|0,0,0]=2 784 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O CNP0489303.1 [0,2,0,0,0,0|0,0,0]=2 785 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,2,0,0,0,0|0,0,0]=2 786 B8R0.12 C=CCC(C)(N)C(=O)O CNP0555901.0 [0,2,0,0,0,0|1,0,0]=3 787 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [0,2,0,0,0,0|2,0,0]=4 788 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [0,2,0,0,0,0|1,0,0]=3 789 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [0,2,0,0,0,0|1,0,0]=3 790 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [0,2,0,0,0,0|2,0,0]=4 791 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [0,2,0,0,0,0|2,0,0]=4 792 B8R0.12 COC[C@@](C)(N)C(=O)O CNP0546199.2 [0,2,0,0,0,0|0,0,0]=2 793 B8R0.12 COC[C@](C)(N)C(=O)O CNP0546199.1 [0,2,0,0,0,0|0,0,0]=2 794 B8R0.12 O=C(O)C(O)(O)CCO CNP0527367.0 [0,2,0,0,0,0|1,0,0]=3 795 B8R0.14 N[C@@H](CCS)S(=O)(=O)O CNP0045993.1 [0,2,0,0,0,0|1,1,0]=4 796 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [0,2,0,0,0,0|1,0,0]=3 797 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [0,2,0,0,0,0|2,0,0]=4 798 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,2,0,0,0,0|1,0,0]=3 799 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [0,2,0,0,0,0|0,0,0]=2 800 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [0,2,0,0,0,0|1,0,0]=3 801 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [0,2,0,0,0,0|2,0,0]=4 802 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [0,2,0,0,0,0|2,0,0]=4 803 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [0,2,0,0,0,0|2,0,0]=4 804 B8R0.36 CCC(C)(CC)C(=O)O CNP0454868.0 [0,2,0,0,0,0|2,0,0]=4 805 B8R0.36 CCC(N)(CC)C(=O)O CNP0494515.0 [0,2,0,0,0,0|1,0,0]=3 806 B8R0.36 CCC(O)(CC)C(=O)O CNP0399779.0 [0,2,0,0,0,0|2,0,0]=4 807 B8R0.36 NC(CO)(CO)C(=O)O CNP0232926.0 [0,2,0,0,0,0|0,0,0]=2 808 B8R0.37 CC(=O)[C@@](C)(O)[C@@H](C)O CNP0563769.1 [0,2,0,0,0,0|2,0,0]=4 809 B8R0.37 CC(=O)[C@](C)(O)[C@@H](C)O CNP0563769.2 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.37 CC(C)(C(=O)O)C(=O)O CNP0082122.0 [0,2,0,0,0,0|1,0,1]=4 811 B8R0.37 CC(C)[C@@](N)(O)C(=O)O CNP0185848.1 [0,2,0,0,0,0|1,0,0]=3 812 B8R0.37 CC(C)[C@](N)(O)C(=O)O CNP0185848.2 [0,2,0,0,0,0|1,0,0]=3 813 B8R0.37 CC(O)(C(=O)O)C(=O)O CNP0101764.0 [0,2,0,0,0,0|1,0,1]=4 814 B8R0.37 CC(O)C(C)(C)C(=O)O CNP0082064.0 [0,2,0,0,0,0|1,0,0]=3 815 B8R0.37 C[C@@H](O)[C@](C)(O)C(=O)O CNP0265434.2 [0,2,0,0,0,0|1,0,0]=3 816 B8R0.37 C[C@H](O)[C@@](C)(O)C(=O)O CNP0265434.3 [0,2,0,0,0,0|1,0,0]=3 817 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O CNP0265434.1 [0,2,0,0,0,0|1,0,0]=3 818 B8R0.37 O=C(O)C(O)(O)C(=O)O CNP0083986.0 [0,2,0,0,0,0|1,0,1]=4 819 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N CNP0245908.1 [0,2,0,0,0,0|2,0,0]=4 820 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [0,2,0,0,0,0|1,0,0]=3 821 B8R0.27 CC(C)(C)[C@H](N)C(=O)N CNP0245908.2 [0,2,0,0,0,0|2,0,0]=4 822 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [0,2,0,0,0,0|1,0,0]=3 823 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [0,2,0,0,0,0|2,0,0]=4 824 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,2,0,0,0,0|1,0,0]=3 825 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,2,0,0,0,0|0,0,0]=2 826 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,2,0,0,0,0|1,0,0]=3 827 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [0,2,0,0,0,0|0,1,0]=3 828 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [0,2,0,0,0,0|0,1,0]=3 829 B8R0.27 CC(C)[C@H](N)P(=O)(O)O CNP0050135.1 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.27 C[C@H](O)[C@@H](N)P(=O)(O)O CNP0360371.1 [0,2,0,0,0,0|1,0,0]=3 831 B8R0.18 CC(C)[C@H](NO)C(=O)O CNP0082684.1 [0,2,0,0,0,0|1,0,0]=3 832 B8R0.18 CCC(C(=O)C)C(=O)O CNP0082085.0 [0,2,0,0,0,0|2,0,0]=4 833 B8R0.18 CCC(C(=O)O)C(=O)O CNP0415777.0 [0,2,0,0,0,0|1,0,1]=4 834 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [0,2,0,0,0,0|2,0,0]=4 835 B8R0.18 CCC(C(=O)O)C(C)O CNP0376604.0 [0,2,0,0,0,0|1,0,0]=3 836 B8R0.18 CN(C)[C@@H](CO)C(=O)O CNP0113680.1 [0,2,0,0,0,0|0,0,0]=2 837 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [0,2,0,0,0,0|1,0,0]=3 838 B8R0.18 CN[C@@H](C(=O)O)[C@@H](C)O CNP0147674.2 [0,2,0,0,0,0|0,0,0]=2 839 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [0,2,0,0,0,0|1,0,0]=3 840 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CNP0147674.1 [0,2,0,0,0,0|0,0,0]=2 841 B8R0.18 CN[C@H](C(=O)O)[C@H](C)O CNP0147674.3 [0,2,0,0,0,0|0,0,0]=2 842 B8R0.18 COC(C(=O)O)C(=O)O CNP0332418.0 [0,2,0,0,0,0|1,0,1]=4 843 B8R0.18 C[C@@H](O)[C@H](NO)C(=O)O CNP0541034.1 [0,2,0,0,0,0|0,0,0]=2 844 B8R0.18 [C-]#[N+][C@H](C(=O)O)C(C)C CNP0500576.1 [0,2,0,0,0,0|1,0,1]=4 845 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|2,0,0]=4 846 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|2,0,0]=4 847 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,1,0,0|0,0,2]=4 848 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|1,0,1]=4 849 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|2,0,0]=4 850 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|2,0,0]=4 851 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|1,0,0]=3 852 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|1,1,0]=4 853 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 854 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,0]=3 855 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|1,0,0]=3 856 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|1,1,0]=4 857 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|2,0,0]=4 858 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,1,0,0|2,0,0]=4 859 B6R1.2 OC1=NOCC1 CNP0504784.0 [1,0,0,1,0,0|1,0,0]=3 860 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|1,0,0]=3 861 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|0,0,0]=2 862 B6R1.8 O=C1C=C1CO CNP0214079.0 [1,0,0,1,0,0|1,0,1]=4 863 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|1,0,0]=3 864 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|2,0,0]=4 865 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,1,0,0|2,0,0]=4 866 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [1,0,0,1,0,0|1,0,1]=4 867 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,0,0,1,0,1|2,0,0]=4 868 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,0,0,1,0,1|1,0,1]=4 869 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,0,0,1,0,1|2,0,0]=4 870 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,0,0,1,0,1|2,0,0]=4 871 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,0,0,1,0,1|2,0,0]=4 872 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,0,0,1,0,1|2,0,0]=4 873 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,1|2,0,0]=4 874 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,0,0,1,0,1|2,0,0]=4 875 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,0,0,1,0,1|1,0,0]=3 876 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,0,0,1,0,1|2,0,0]=4 877 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,0,0,1,0,1|2,0,0]=4 878 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,0,0,1,0,1|0,0,0]=2 879 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|2,0,0]=4 880 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,1,0,0|2,0,0]=4 881 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,1,0,1,0,0|2,0,0]=4 882 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,1,0,1,0,0|2,0,0]=4 883 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,1,0,1,0,0|1,0,1]=4 884 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,1,0,1,0,0|1,0,0]=3 885 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,1,0,1,0,0|2,0,0]=4 886 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,1,0,1,0,0|2,0,0]=4 887 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,1,0,1,0,0|1,1,0]=4 888 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [0,1,0,1,0,0|1,1,0]=4 889 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,1,0,1,0,0|2,0,0]=4 890 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,1,0,1,0,0|1,0,1]=4 891 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,1,0,1,0,0|1,0,0]=3 892 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,1,0,1,0,0|1,0,0]=3 893 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,1,0,1,0,0|0,1,0]=3 894 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [0,1,0,1,0,0|1,0,0]=3 895 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,1,0,1,0,0|1,0,0]=3 896 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,1,0,1,0,0|2,0,0]=4 897 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,1,0,1,0,0|1,0,0]=3 898 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,1,0,1,0,0|0,1,0]=3 899 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [0,1,0,1,0,0|1,0,0]=3 900 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [0,1,0,1,0,0|0,1,1]=4 901 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [0,1,0,1,0,0|1,0,0]=3 902 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [0,1,0,1,0,0|1,0,0]=3 903 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|1,0,1]=4 904 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [0,1,0,1,0,0|1,0,1]=4 905 B8R1.39 COC(=O)C1(CC1)N CNP0262298.0 [0,1,0,1,0,0|1,0,0]=3 906 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,1,0,1,0,0|1,0,1]=4 907 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,1,0,1,0,0|1,0,1]=4 908 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|2,0,0]=4 909 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|1,0,1]=4 912 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|1,0,0]=3 913 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|2,0,0]=4 914 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,1,0,1,0,0|1,0,1]=4 915 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|1,0,0]=3 916 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|1,0,0]=3 917 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|1,0,0]=3 918 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|1,0,0]=3 919 B8R1.63 CNC1(CC1)C(=O)O CNP0252206.0 [0,1,0,1,0,0|1,0,0]=3 920 B8R1.70 NC1(CC1)P(=O)(O)O CNP0499935.0 [0,1,0,1,0,0|2,0,0]=4 921 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,1,0,1,0,0|1,0,0]=3 922 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [0,0,0,0,0,2|1,0,1]=4 923 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [0,0,0,0,0,2|1,0,1]=4 924 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,0,0,0,0,2|2,0,0]=4 925 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,0,0,0,0,2|2,0,0]=4 926 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,0,0,0,0,2|2,0,0]=4 927 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,0,0,0,0,2|2,0,0]=4 928 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,0,0,0,0,2|1,0,0]=3 929 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,0,0,0,0,2|2,0,0]=4 930 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,0,0,0,0,2|2,0,0]=4 931 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,0,0,0,0,2|2,0,0]=4 932 B8R0.9 N#CC(N)CCC(=O)O CNP0028484.0 [0,0,0,0,0,2|1,0,1]=4 933 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,0,0,0,0,2|1,0,0]=3 934 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,0,0,0,0,2|2,0,0]=4 935 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,0,0,0,0,2|1,0,0]=3 936 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [0,0,0,0,0,2|0,0,2]=4 937 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,0,0,0,0,2|1,0,1]=4 938 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,0,0,0,0,2|1,0,0]=3